USER MOD reduce.3.24.130724 H: found=0, std=0, add=1554, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 62 SER OG : rot 36:sc= 1.4 USER MOD Set 1.2: B 69 THR OG1 : rot -81:sc= 0.545 USER MOD Set 2.1: A 121 CYS SG : rot 63:sc= -0.283! USER MOD Set 2.2: A 125 ASN : amide:sc= 1.94 K(o=1.7,f=-6.1!) USER MOD Set 3.1: A 52 THR OG1 : rot 59:sc= 1.16 USER MOD Set 3.2: A 58 HIS : no HD1:sc= 0.811 K(o=2,f=-4.8!) USER MOD Set 4.1: A 22 TYR OH : rot 30:sc= 1.07 USER MOD Set 4.2: A 62 LYS NZ :NH3+ -126:sc= 1.26 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= 2.5 (180deg=2.21) USER MOD Single : A 31 MET CE :methyl 176:sc=-0.000299 (180deg=-0.00341) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -43:sc= 0.388 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0174 K(o=-0.017,f=-0.92) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -87:sc= -0.284 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.125 K(o=-0.12,f=-0.92) USER MOD Single : A 80 CYS SG : rot -70:sc= -2.44! USER MOD Single : A 83 LYS NZ :NH3+ -174:sc= 0.304 (180deg=0.233) USER MOD Single : A 87 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.66) USER MOD Single : A 88 CYS SG : rot -130:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 94 TYR OH : rot -155:sc= 1.13 USER MOD Single : A 97 LYS NZ :NH3+ -177:sc= 0.558 (180deg=0.495) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 164:sc= -0.019 (180deg=-0.234) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 1.64 K(o=1.6,f=-3.9!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 116 GLN : amide:sc= -0.0723 X(o=-0.072,f=-0.51) USER MOD Single : A 120 HIS : no HD1:sc= -0.142 K(o=-0.14,f=-0.71) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.418 X(o=0.42,f=-0.02) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0184) USER MOD Single : B 34 LYS NZ :NH3+ 149:sc= 1.02 (180deg=-1.06) USER MOD Single : B 36 THR OG1 : rot -83:sc= 0.264 USER MOD Single : B 38 LYS NZ :NH3+ 157:sc= 1.79 (180deg=0.965) USER MOD Single : B 39 THR OG1 : rot 14:sc= 0.247 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= 0.115 K(o=0.11,f=-4.6!) USER MOD Single : B 52 SER OG : rot -125:sc= -1.07 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.149) USER MOD Single : B 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0875) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN : amide:sc= -0.0495 K(o=-0.049,f=-1.3) USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= -0.0117 (180deg=-0.0117) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.099) USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=-0.00033) USER MOD Single : B 93 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 97 THR OG1 : rot 180:sc= 0 USER MOD Single : B 99 HIS : no HD1:sc= -1.68 K(o=0.076,f=-8.3!) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -12.045 21.927 8.260 1.00 0.79 N ATOM 2 CA LYS A 21 -13.243 21.066 8.374 1.00 0.63 C ATOM 3 C LYS A 21 -12.976 19.713 7.734 1.00 0.53 C ATOM 4 O LYS A 21 -11.901 19.487 7.173 1.00 0.61 O ATOM 5 CB LYS A 21 -14.453 21.734 7.713 1.00 0.62 C ATOM 6 CG LYS A 21 -14.292 21.978 6.219 1.00 0.66 C ATOM 7 CD LYS A 21 -15.541 22.607 5.620 1.00 0.77 C ATOM 8 CE LYS A 21 -15.676 24.070 6.015 1.00 0.90 C ATOM 9 NZ LYS A 21 -17.064 24.573 5.830 1.00 1.10 N ATOM 0 HA LYS A 21 -13.465 20.920 9.431 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -15.332 21.110 7.875 1.00 0.62 H new ATOM 0 HB3 LYS A 21 -14.643 22.687 8.207 1.00 0.62 H new ATOM 0 HG2 LYS A 21 -13.436 22.630 6.046 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -14.081 21.034 5.716 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -15.505 22.525 4.534 1.00 0.77 H new ATOM 0 HD3 LYS A 21 -16.421 22.057 5.953 1.00 0.77 H new ATOM 0 HE2 LYS A 21 -15.382 24.192 7.058 1.00 0.90 H new ATOM 0 HE3 LYS A 21 -14.990 24.671 5.418 1.00 0.90 H new ATOM 0 HZ1 LYS A 21 -17.111 25.573 6.111 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -17.336 24.481 4.831 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.716 24.017 6.419 1.00 1.10 H new ATOM 23 N TYR A 22 -13.944 18.815 7.817 1.00 0.49 N ATOM 24 CA TYR A 22 -13.799 17.485 7.242 1.00 0.49 C ATOM 25 C TYR A 22 -14.322 17.462 5.812 1.00 0.47 C ATOM 26 O TYR A 22 -15.384 18.013 5.519 1.00 0.57 O ATOM 27 CB TYR A 22 -14.551 16.451 8.086 1.00 0.56 C ATOM 28 CG TYR A 22 -14.102 16.378 9.534 1.00 0.55 C ATOM 29 CD1 TYR A 22 -12.889 16.928 9.947 1.00 0.56 C ATOM 30 CD2 TYR A 22 -14.894 15.757 10.490 1.00 0.61 C ATOM 31 CE1 TYR A 22 -12.485 16.859 11.264 1.00 0.60 C ATOM 32 CE2 TYR A 22 -14.493 15.685 11.811 1.00 0.67 C ATOM 33 CZ TYR A 22 -13.289 16.238 12.191 1.00 0.65 C ATOM 34 OH TYR A 22 -12.885 16.172 13.506 1.00 0.75 O ATOM 0 H TYR A 22 -14.839 18.982 8.277 1.00 0.49 H new ATOM 0 HA TYR A 22 -12.739 17.232 7.234 1.00 0.49 H new ATOM 0 HB2 TYR A 22 -15.616 16.683 8.060 1.00 0.56 H new ATOM 0 HB3 TYR A 22 -14.428 15.469 7.630 1.00 0.56 H new ATOM 0 HD1 TYR A 22 -12.254 17.417 9.223 1.00 0.56 H new ATOM 0 HD2 TYR A 22 -15.839 15.323 10.197 1.00 0.61 H new ATOM 0 HE1 TYR A 22 -11.542 17.290 11.566 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -15.121 15.197 12.542 1.00 0.67 H new ATOM 0 HH TYR A 22 -12.329 16.951 13.717 1.00 0.75 H new ATOM 44 N LEU A 23 -13.577 16.822 4.926 1.00 0.41 N ATOM 45 CA LEU A 23 -13.971 16.728 3.530 1.00 0.43 C ATOM 46 C LEU A 23 -15.050 15.670 3.363 1.00 0.43 C ATOM 47 O LEU A 23 -16.145 15.952 2.876 1.00 0.52 O ATOM 48 CB LEU A 23 -12.759 16.392 2.664 1.00 0.45 C ATOM 49 CG LEU A 23 -11.663 17.457 2.647 1.00 0.54 C ATOM 50 CD1 LEU A 23 -10.353 16.867 2.149 1.00 0.64 C ATOM 51 CD2 LEU A 23 -12.084 18.634 1.781 1.00 0.70 C ATOM 0 H LEU A 23 -12.696 16.360 5.149 1.00 0.41 H new ATOM 0 HA LEU A 23 -14.372 17.690 3.210 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -12.328 15.454 3.016 1.00 0.45 H new ATOM 0 HB3 LEU A 23 -13.097 16.224 1.642 1.00 0.45 H new ATOM 0 HG LEU A 23 -11.511 17.814 3.665 1.00 0.54 H new ATOM 0 HD11 LEU A 23 -9.585 17.640 2.144 1.00 0.64 H new ATOM 0 HD12 LEU A 23 -10.046 16.055 2.808 1.00 0.64 H new ATOM 0 HD13 LEU A 23 -10.488 16.483 1.138 1.00 0.64 H new ATOM 0 HD21 LEU A 23 -11.294 19.385 1.778 1.00 0.70 H new ATOM 0 HD22 LEU A 23 -12.262 18.291 0.762 1.00 0.70 H new ATOM 0 HD23 LEU A 23 -12.999 19.071 2.181 1.00 0.70 H new ATOM 63 N VAL A 24 -14.735 14.454 3.781 1.00 0.42 N ATOM 64 CA VAL A 24 -15.671 13.344 3.702 1.00 0.46 C ATOM 65 C VAL A 24 -15.774 12.672 5.064 1.00 0.43 C ATOM 66 O VAL A 24 -14.754 12.309 5.655 1.00 0.44 O ATOM 67 CB VAL A 24 -15.232 12.303 2.645 1.00 0.54 C ATOM 68 CG1 VAL A 24 -16.233 11.159 2.558 1.00 0.70 C ATOM 69 CG2 VAL A 24 -15.059 12.957 1.283 1.00 0.76 C ATOM 0 H VAL A 24 -13.829 14.210 4.182 1.00 0.42 H new ATOM 0 HA VAL A 24 -16.641 13.740 3.402 1.00 0.46 H new ATOM 0 HB VAL A 24 -14.271 11.895 2.958 1.00 0.54 H new ATOM 0 HG11 VAL A 24 -15.901 10.441 1.808 1.00 0.70 H new ATOM 0 HG12 VAL A 24 -16.305 10.664 3.527 1.00 0.70 H new ATOM 0 HG13 VAL A 24 -17.210 11.551 2.277 1.00 0.70 H new ATOM 0 HG21 VAL A 24 -14.750 12.206 0.556 1.00 0.76 H new ATOM 0 HG22 VAL A 24 -16.004 13.399 0.969 1.00 0.76 H new ATOM 0 HG23 VAL A 24 -14.298 13.735 1.347 1.00 0.76 H new ATOM 79 N GLU A 25 -16.990 12.532 5.572 1.00 0.45 N ATOM 80 CA GLU A 25 -17.210 11.896 6.867 1.00 0.45 C ATOM 81 C GLU A 25 -18.476 11.039 6.851 1.00 0.47 C ATOM 82 O GLU A 25 -19.489 11.416 6.253 1.00 0.55 O ATOM 83 CB GLU A 25 -17.305 12.948 7.979 1.00 0.49 C ATOM 84 CG GLU A 25 -18.367 14.010 7.735 1.00 0.56 C ATOM 85 CD GLU A 25 -18.666 14.834 8.972 1.00 0.69 C ATOM 86 OE1 GLU A 25 -19.544 14.429 9.767 1.00 0.96 O ATOM 87 OE2 GLU A 25 -18.039 15.898 9.149 1.00 0.95 O ATOM 0 H GLU A 25 -17.841 12.850 5.108 1.00 0.45 H new ATOM 0 HA GLU A 25 -16.356 11.248 7.066 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -17.517 12.446 8.923 1.00 0.49 H new ATOM 0 HB3 GLU A 25 -16.336 13.435 8.088 1.00 0.49 H new ATOM 0 HG2 GLU A 25 -18.036 14.671 6.934 1.00 0.56 H new ATOM 0 HG3 GLU A 25 -19.284 13.529 7.393 1.00 0.56 H new ATOM 94 N PHE A 26 -18.403 9.879 7.493 1.00 0.43 N ATOM 95 CA PHE A 26 -19.538 8.969 7.584 1.00 0.46 C ATOM 96 C PHE A 26 -19.370 8.044 8.780 1.00 0.45 C ATOM 97 O PHE A 26 -18.264 7.889 9.303 1.00 0.44 O ATOM 98 CB PHE A 26 -19.715 8.162 6.290 1.00 0.47 C ATOM 99 CG PHE A 26 -18.520 7.343 5.884 1.00 0.46 C ATOM 100 CD1 PHE A 26 -18.374 6.040 6.329 1.00 0.48 C ATOM 101 CD2 PHE A 26 -17.553 7.871 5.039 1.00 0.51 C ATOM 102 CE1 PHE A 26 -17.289 5.279 5.944 1.00 0.49 C ATOM 103 CE2 PHE A 26 -16.462 7.113 4.655 1.00 0.55 C ATOM 104 CZ PHE A 26 -16.332 5.815 5.107 1.00 0.51 C ATOM 0 H PHE A 26 -17.561 9.544 7.962 1.00 0.43 H new ATOM 0 HA PHE A 26 -20.441 9.563 7.723 1.00 0.46 H new ATOM 0 HB2 PHE A 26 -20.570 7.496 6.409 1.00 0.47 H new ATOM 0 HB3 PHE A 26 -19.957 8.850 5.480 1.00 0.47 H new ATOM 0 HD1 PHE A 26 -19.118 5.614 6.985 1.00 0.48 H new ATOM 0 HD2 PHE A 26 -17.654 8.884 4.678 1.00 0.51 H new ATOM 0 HE1 PHE A 26 -17.189 4.264 6.298 1.00 0.49 H new ATOM 0 HE2 PHE A 26 -15.713 7.536 4.002 1.00 0.55 H new ATOM 0 HZ PHE A 26 -15.482 5.220 4.806 1.00 0.51 H new ATOM 114 N ARG A 27 -20.464 7.438 9.213 1.00 0.47 N ATOM 115 CA ARG A 27 -20.437 6.543 10.354 1.00 0.47 C ATOM 116 C ARG A 27 -20.074 5.129 9.923 1.00 0.45 C ATOM 117 O ARG A 27 -20.770 4.511 9.113 1.00 0.46 O ATOM 118 CB ARG A 27 -21.794 6.553 11.054 1.00 0.51 C ATOM 119 CG ARG A 27 -22.164 7.913 11.626 1.00 0.55 C ATOM 120 CD ARG A 27 -23.669 8.075 11.766 1.00 0.61 C ATOM 121 NE ARG A 27 -24.330 8.207 10.470 1.00 0.62 N ATOM 122 CZ ARG A 27 -25.550 8.717 10.301 1.00 0.73 C ATOM 123 NH1 ARG A 27 -26.241 9.153 11.342 1.00 0.84 N ATOM 124 NH2 ARG A 27 -26.073 8.788 9.085 1.00 0.77 N ATOM 0 H ARG A 27 -21.384 7.552 8.788 1.00 0.47 H new ATOM 0 HA ARG A 27 -19.675 6.891 11.051 1.00 0.47 H new ATOM 0 HB2 ARG A 27 -22.563 6.242 10.346 1.00 0.51 H new ATOM 0 HB3 ARG A 27 -21.786 5.818 11.859 1.00 0.51 H new ATOM 0 HG2 ARG A 27 -21.693 8.038 12.601 1.00 0.55 H new ATOM 0 HG3 ARG A 27 -21.772 8.698 10.979 1.00 0.55 H new ATOM 0 HD2 ARG A 27 -24.078 7.214 12.295 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -23.884 8.954 12.373 1.00 0.61 H new ATOM 0 HE ARG A 27 -23.826 7.889 9.642 1.00 0.62 H new ATOM 0 HH11 ARG A 27 -25.840 9.100 12.279 1.00 0.84 H new ATOM 0 HH12 ARG A 27 -27.174 9.542 11.208 1.00 0.84 H new ATOM 0 HH21 ARG A 27 -25.542 8.453 8.281 1.00 0.77 H new ATOM 0 HH22 ARG A 27 -27.006 9.178 8.953 1.00 0.77 H new ATOM 138 N ALA A 28 -18.984 4.625 10.473 1.00 0.44 N ATOM 139 CA ALA A 28 -18.511 3.289 10.158 1.00 0.43 C ATOM 140 C ALA A 28 -17.697 2.720 11.311 1.00 0.42 C ATOM 141 O ALA A 28 -16.962 3.444 11.988 1.00 0.44 O ATOM 142 CB ALA A 28 -17.681 3.302 8.884 1.00 0.42 C ATOM 0 H ALA A 28 -18.405 5.126 11.146 1.00 0.44 H new ATOM 0 HA ALA A 28 -19.380 2.650 10.001 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -17.336 2.292 8.665 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -18.290 3.665 8.056 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.821 3.959 9.017 1.00 0.42 H new ATOM 148 N GLY A 29 -17.836 1.424 11.527 1.00 0.43 N ATOM 149 CA GLY A 29 -17.113 0.774 12.593 1.00 0.43 C ATOM 150 C GLY A 29 -15.797 0.219 12.105 1.00 0.41 C ATOM 151 O GLY A 29 -15.683 -0.195 10.951 1.00 0.46 O ATOM 0 H GLY A 29 -18.439 0.809 10.980 1.00 0.43 H new ATOM 0 HA2 GLY A 29 -16.934 1.485 13.400 1.00 0.43 H new ATOM 0 HA3 GLY A 29 -17.719 -0.032 13.007 1.00 0.43 H new ATOM 155 N LYS A 30 -14.804 0.206 12.974 1.00 0.42 N ATOM 156 CA LYS A 30 -13.489 -0.297 12.612 1.00 0.42 C ATOM 157 C LYS A 30 -13.361 -1.770 12.972 1.00 0.41 C ATOM 158 O LYS A 30 -14.190 -2.320 13.695 1.00 0.45 O ATOM 159 CB LYS A 30 -12.391 0.512 13.316 1.00 0.48 C ATOM 160 CG LYS A 30 -12.513 0.526 14.832 1.00 0.54 C ATOM 161 CD LYS A 30 -11.431 1.382 15.474 1.00 0.67 C ATOM 162 CE LYS A 30 -10.117 0.628 15.605 1.00 0.70 C ATOM 163 NZ LYS A 30 -9.039 1.486 16.164 1.00 0.60 N ATOM 0 H LYS A 30 -14.881 0.537 13.936 1.00 0.42 H new ATOM 0 HA LYS A 30 -13.369 -0.189 11.534 1.00 0.42 H new ATOM 0 HB2 LYS A 30 -11.419 0.101 13.043 1.00 0.48 H new ATOM 0 HB3 LYS A 30 -12.418 1.538 12.949 1.00 0.48 H new ATOM 0 HG2 LYS A 30 -13.494 0.907 15.115 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -12.445 -0.493 15.212 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -11.276 2.280 14.877 1.00 0.67 H new ATOM 0 HD3 LYS A 30 -11.763 1.708 16.460 1.00 0.67 H new ATOM 0 HE2 LYS A 30 -10.259 -0.241 16.248 1.00 0.70 H new ATOM 0 HE3 LYS A 30 -9.814 0.255 14.627 1.00 0.70 H new ATOM 0 HZ1 LYS A 30 -8.378 0.900 16.713 1.00 0.60 H new ATOM 0 HZ2 LYS A 30 -8.527 1.950 15.387 1.00 0.60 H new ATOM 0 HZ3 LYS A 30 -9.457 2.209 16.784 1.00 0.60 H new ATOM 177 N MET A 31 -12.338 -2.411 12.431 1.00 0.43 N ATOM 178 CA MET A 31 -12.073 -3.810 12.714 1.00 0.44 C ATOM 179 C MET A 31 -10.635 -3.945 13.177 1.00 0.46 C ATOM 180 O MET A 31 -9.736 -3.332 12.600 1.00 0.55 O ATOM 181 CB MET A 31 -12.319 -4.683 11.479 1.00 0.46 C ATOM 182 CG MET A 31 -13.747 -4.622 10.958 1.00 0.47 C ATOM 183 SD MET A 31 -14.189 -6.056 9.954 1.00 0.54 S ATOM 184 CE MET A 31 -15.883 -5.655 9.530 1.00 0.61 C ATOM 0 H MET A 31 -11.673 -1.980 11.789 1.00 0.43 H new ATOM 0 HA MET A 31 -12.752 -4.152 13.495 1.00 0.44 H new ATOM 0 HB2 MET A 31 -11.639 -4.373 10.685 1.00 0.46 H new ATOM 0 HB3 MET A 31 -12.075 -5.717 11.722 1.00 0.46 H new ATOM 0 HG2 MET A 31 -14.434 -4.550 11.801 1.00 0.47 H new ATOM 0 HG3 MET A 31 -13.874 -3.716 10.365 1.00 0.47 H new ATOM 0 HE1 MET A 31 -16.277 -6.411 8.851 1.00 0.61 H new ATOM 0 HE2 MET A 31 -16.489 -5.630 10.436 1.00 0.61 H new ATOM 0 HE3 MET A 31 -15.915 -4.679 9.045 1.00 0.61 H new ATOM 194 N SER A 32 -10.417 -4.720 14.223 1.00 0.49 N ATOM 195 CA SER A 32 -9.082 -4.894 14.764 1.00 0.52 C ATOM 196 C SER A 32 -8.581 -6.320 14.582 1.00 0.52 C ATOM 197 O SER A 32 -9.323 -7.285 14.774 1.00 0.54 O ATOM 198 CB SER A 32 -9.083 -4.522 16.243 1.00 0.59 C ATOM 199 OG SER A 32 -10.387 -4.145 16.663 1.00 0.93 O ATOM 0 H SER A 32 -11.146 -5.238 14.714 1.00 0.49 H new ATOM 0 HA SER A 32 -8.404 -4.238 14.217 1.00 0.52 H new ATOM 0 HB2 SER A 32 -8.734 -5.367 16.836 1.00 0.59 H new ATOM 0 HB3 SER A 32 -8.387 -3.701 16.418 1.00 0.59 H new ATOM 0 HG SER A 32 -10.369 -3.911 17.615 1.00 0.93 H new ATOM 205 N LEU A 33 -7.319 -6.442 14.195 1.00 0.54 N ATOM 206 CA LEU A 33 -6.703 -7.742 14.010 1.00 0.56 C ATOM 207 C LEU A 33 -6.236 -8.277 15.356 1.00 0.58 C ATOM 208 O LEU A 33 -5.111 -8.013 15.786 1.00 0.63 O ATOM 209 CB LEU A 33 -5.523 -7.653 13.037 1.00 0.58 C ATOM 210 CG LEU A 33 -4.774 -8.971 12.791 1.00 0.61 C ATOM 211 CD1 LEU A 33 -5.620 -9.926 11.968 1.00 0.62 C ATOM 212 CD2 LEU A 33 -3.441 -8.707 12.106 1.00 0.67 C ATOM 0 H LEU A 33 -6.703 -5.652 14.003 1.00 0.54 H new ATOM 0 HA LEU A 33 -7.440 -8.423 13.584 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -5.889 -7.278 12.081 1.00 0.58 H new ATOM 0 HB3 LEU A 33 -4.814 -6.917 13.417 1.00 0.58 H new ATOM 0 HG LEU A 33 -4.578 -9.438 13.756 1.00 0.61 H new ATOM 0 HD11 LEU A 33 -5.069 -10.853 11.806 1.00 0.62 H new ATOM 0 HD12 LEU A 33 -6.546 -10.142 12.500 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -5.853 -9.469 11.006 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -2.924 -9.652 11.940 1.00 0.67 H new ATOM 0 HD22 LEU A 33 -3.615 -8.215 11.149 1.00 0.67 H new ATOM 0 HD23 LEU A 33 -2.828 -8.065 12.738 1.00 0.67 H new ATOM 224 N LYS A 34 -7.116 -9.000 16.030 1.00 0.59 N ATOM 225 CA LYS A 34 -6.804 -9.571 17.328 1.00 0.63 C ATOM 226 C LYS A 34 -6.067 -10.889 17.148 1.00 0.65 C ATOM 227 O LYS A 34 -6.669 -11.906 16.792 1.00 0.68 O ATOM 228 CB LYS A 34 -8.083 -9.786 18.138 1.00 0.66 C ATOM 229 CG LYS A 34 -8.819 -8.502 18.486 1.00 0.68 C ATOM 230 CD LYS A 34 -9.957 -8.764 19.457 1.00 0.76 C ATOM 231 CE LYS A 34 -10.654 -7.477 19.865 1.00 0.84 C ATOM 232 NZ LYS A 34 -11.625 -7.701 20.966 1.00 1.01 N ATOM 0 H LYS A 34 -8.058 -9.206 15.696 1.00 0.59 H new ATOM 0 HA LYS A 34 -6.164 -8.877 17.873 1.00 0.63 H new ATOM 0 HB2 LYS A 34 -8.753 -10.435 17.574 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -7.833 -10.310 19.060 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -8.122 -7.788 18.924 1.00 0.68 H new ATOM 0 HG3 LYS A 34 -9.212 -8.047 17.576 1.00 0.68 H new ATOM 0 HD2 LYS A 34 -10.679 -9.439 18.998 1.00 0.76 H new ATOM 0 HD3 LYS A 34 -9.570 -9.266 20.344 1.00 0.76 H new ATOM 0 HE2 LYS A 34 -9.910 -6.745 20.180 1.00 0.84 H new ATOM 0 HE3 LYS A 34 -11.172 -7.055 19.004 1.00 0.84 H new ATOM 0 HZ1 LYS A 34 -12.080 -6.800 21.216 1.00 1.01 H new ATOM 0 HZ2 LYS A 34 -12.349 -8.381 20.657 1.00 1.01 H new ATOM 0 HZ3 LYS A 34 -11.127 -8.080 21.797 1.00 1.01 H new ATOM 246 N GLY A 35 -4.762 -10.855 17.365 1.00 0.66 N ATOM 247 CA GLY A 35 -3.950 -12.041 17.216 1.00 0.70 C ATOM 248 C GLY A 35 -3.774 -12.424 15.764 1.00 0.70 C ATOM 249 O GLY A 35 -2.807 -12.024 15.114 1.00 0.75 O ATOM 0 H GLY A 35 -4.248 -10.019 17.644 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -2.973 -11.871 17.668 1.00 0.70 H new ATOM 0 HA3 GLY A 35 -4.412 -12.867 17.756 1.00 0.70 H new ATOM 253 N THR A 36 -4.728 -13.178 15.242 1.00 0.68 N ATOM 254 CA THR A 36 -4.680 -13.618 13.861 1.00 0.70 C ATOM 255 C THR A 36 -6.085 -13.638 13.256 1.00 0.68 C ATOM 256 O THR A 36 -6.321 -14.244 12.210 1.00 0.72 O ATOM 257 CB THR A 36 -4.020 -15.017 13.757 1.00 0.75 C ATOM 258 OG1 THR A 36 -3.728 -15.344 12.388 1.00 0.82 O ATOM 259 CG2 THR A 36 -4.910 -16.097 14.366 1.00 0.77 C ATOM 0 H THR A 36 -5.547 -13.498 15.758 1.00 0.68 H new ATOM 0 HA THR A 36 -4.073 -12.911 13.295 1.00 0.70 H new ATOM 0 HB THR A 36 -3.087 -14.979 14.320 1.00 0.75 H new ATOM 0 HG1 THR A 36 -4.483 -15.083 11.821 1.00 0.82 H new ATOM 0 HG21 THR A 36 -4.419 -17.066 14.277 1.00 0.77 H new ATOM 0 HG22 THR A 36 -5.085 -15.874 15.419 1.00 0.77 H new ATOM 0 HG23 THR A 36 -5.863 -16.124 13.838 1.00 0.77 H new ATOM 267 N THR A 37 -7.019 -12.965 13.921 1.00 0.66 N ATOM 268 CA THR A 37 -8.394 -12.909 13.448 1.00 0.66 C ATOM 269 C THR A 37 -8.933 -11.483 13.498 1.00 0.61 C ATOM 270 O THR A 37 -8.872 -10.819 14.535 1.00 0.61 O ATOM 271 CB THR A 37 -9.315 -13.823 14.285 1.00 0.71 C ATOM 272 OG1 THR A 37 -8.648 -15.060 14.580 1.00 0.79 O ATOM 273 CG2 THR A 37 -10.615 -14.105 13.547 1.00 0.81 C ATOM 0 H THR A 37 -6.848 -12.453 14.786 1.00 0.66 H new ATOM 0 HA THR A 37 -8.388 -13.258 12.416 1.00 0.66 H new ATOM 0 HB THR A 37 -9.549 -13.307 15.216 1.00 0.71 H new ATOM 0 HG1 THR A 37 -9.240 -15.632 15.112 1.00 0.79 H new ATOM 0 HG21 THR A 37 -11.247 -14.751 14.157 1.00 0.81 H new ATOM 0 HG22 THR A 37 -11.135 -13.167 13.354 1.00 0.81 H new ATOM 0 HG23 THR A 37 -10.396 -14.600 12.601 1.00 0.81 H new ATOM 281 N VAL A 38 -9.440 -11.008 12.370 1.00 0.60 N ATOM 282 CA VAL A 38 -9.998 -9.670 12.288 1.00 0.57 C ATOM 283 C VAL A 38 -11.361 -9.635 12.969 1.00 0.57 C ATOM 284 O VAL A 38 -12.338 -10.194 12.466 1.00 0.64 O ATOM 285 CB VAL A 38 -10.134 -9.201 10.824 1.00 0.57 C ATOM 286 CG1 VAL A 38 -10.694 -7.792 10.758 1.00 0.59 C ATOM 287 CG2 VAL A 38 -8.792 -9.267 10.113 1.00 0.61 C ATOM 0 H VAL A 38 -9.476 -11.533 11.496 1.00 0.60 H new ATOM 0 HA VAL A 38 -9.314 -8.990 12.797 1.00 0.57 H new ATOM 0 HB VAL A 38 -10.829 -9.872 10.319 1.00 0.57 H new ATOM 0 HG11 VAL A 38 -10.781 -7.483 9.716 1.00 0.59 H new ATOM 0 HG12 VAL A 38 -11.678 -7.769 11.226 1.00 0.59 H new ATOM 0 HG13 VAL A 38 -10.026 -7.110 11.284 1.00 0.59 H new ATOM 0 HG21 VAL A 38 -8.909 -8.932 9.082 1.00 0.61 H new ATOM 0 HG22 VAL A 38 -8.077 -8.623 10.625 1.00 0.61 H new ATOM 0 HG23 VAL A 38 -8.426 -10.294 10.122 1.00 0.61 H new ATOM 297 N THR A 39 -11.414 -8.998 14.125 1.00 0.56 N ATOM 298 CA THR A 39 -12.643 -8.896 14.887 1.00 0.58 C ATOM 299 C THR A 39 -13.182 -7.469 14.830 1.00 0.55 C ATOM 300 O THR A 39 -12.476 -6.523 15.180 1.00 0.55 O ATOM 301 CB THR A 39 -12.406 -9.312 16.348 1.00 0.64 C ATOM 302 OG1 THR A 39 -11.368 -10.308 16.402 1.00 0.67 O ATOM 303 CG2 THR A 39 -13.676 -9.871 16.971 1.00 0.74 C ATOM 0 H THR A 39 -10.612 -8.540 14.558 1.00 0.56 H new ATOM 0 HA THR A 39 -13.379 -9.570 14.448 1.00 0.58 H new ATOM 0 HB THR A 39 -12.106 -8.429 16.912 1.00 0.64 H new ATOM 0 HG1 THR A 39 -11.325 -10.687 17.305 1.00 0.67 H new ATOM 0 HG21 THR A 39 -13.479 -10.157 18.004 1.00 0.74 H new ATOM 0 HG22 THR A 39 -14.458 -9.112 16.947 1.00 0.74 H new ATOM 0 HG23 THR A 39 -14.003 -10.746 16.408 1.00 0.74 H new ATOM 311 N PRO A 40 -14.426 -7.293 14.352 1.00 0.55 N ATOM 312 CA PRO A 40 -15.049 -5.970 14.247 1.00 0.54 C ATOM 313 C PRO A 40 -15.293 -5.318 15.602 1.00 0.56 C ATOM 314 O PRO A 40 -15.557 -5.993 16.603 1.00 0.63 O ATOM 315 CB PRO A 40 -16.386 -6.245 13.543 1.00 0.56 C ATOM 316 CG PRO A 40 -16.271 -7.615 12.970 1.00 0.65 C ATOM 317 CD PRO A 40 -15.317 -8.358 13.861 1.00 0.58 C ATOM 0 HA PRO A 40 -14.404 -5.274 13.711 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -17.217 -6.184 14.245 1.00 0.56 H new ATOM 0 HB3 PRO A 40 -16.575 -5.509 12.761 1.00 0.56 H new ATOM 0 HG2 PRO A 40 -17.242 -8.109 12.941 1.00 0.65 H new ATOM 0 HG3 PRO A 40 -15.901 -7.580 11.945 1.00 0.65 H new ATOM 0 HD2 PRO A 40 -15.835 -8.860 14.678 1.00 0.58 H new ATOM 0 HD3 PRO A 40 -14.767 -9.124 13.314 1.00 0.58 H new ATOM 325 N ASP A 41 -15.178 -4.001 15.626 1.00 0.53 N ATOM 326 CA ASP A 41 -15.402 -3.229 16.835 1.00 0.56 C ATOM 327 C ASP A 41 -16.887 -2.896 16.942 1.00 0.58 C ATOM 328 O ASP A 41 -17.546 -2.646 15.932 1.00 0.66 O ATOM 329 CB ASP A 41 -14.559 -1.948 16.797 1.00 0.57 C ATOM 330 CG ASP A 41 -14.355 -1.312 18.160 1.00 0.61 C ATOM 331 OD1 ASP A 41 -15.320 -1.234 18.945 1.00 0.64 O ATOM 332 OD2 ASP A 41 -13.222 -0.873 18.446 1.00 0.68 O ATOM 0 H ASP A 41 -14.928 -3.440 14.812 1.00 0.53 H new ATOM 0 HA ASP A 41 -15.103 -3.808 17.709 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -13.586 -2.177 16.363 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -15.040 -1.226 16.137 1.00 0.57 H new ATOM 337 N LYS A 42 -17.412 -2.899 18.158 1.00 0.61 N ATOM 338 CA LYS A 42 -18.826 -2.620 18.373 1.00 0.64 C ATOM 339 C LYS A 42 -19.062 -1.148 18.700 1.00 0.64 C ATOM 340 O LYS A 42 -20.188 -0.742 18.995 1.00 0.76 O ATOM 341 CB LYS A 42 -19.379 -3.497 19.498 1.00 0.71 C ATOM 342 CG LYS A 42 -19.238 -4.987 19.234 1.00 0.72 C ATOM 343 CD LYS A 42 -19.970 -5.812 20.278 1.00 0.84 C ATOM 344 CE LYS A 42 -19.686 -7.298 20.113 1.00 0.90 C ATOM 345 NZ LYS A 42 -18.371 -7.686 20.691 1.00 1.08 N ATOM 0 H LYS A 42 -16.883 -3.091 19.009 1.00 0.61 H new ATOM 0 HA LYS A 42 -19.351 -2.851 17.446 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -18.863 -3.251 20.426 1.00 0.71 H new ATOM 0 HB3 LYS A 42 -20.433 -3.261 19.647 1.00 0.71 H new ATOM 0 HG2 LYS A 42 -19.631 -5.220 18.244 1.00 0.72 H new ATOM 0 HG3 LYS A 42 -18.182 -5.258 19.230 1.00 0.72 H new ATOM 0 HD2 LYS A 42 -19.667 -5.491 21.275 1.00 0.84 H new ATOM 0 HD3 LYS A 42 -21.042 -5.634 20.198 1.00 0.84 H new ATOM 0 HE2 LYS A 42 -20.477 -7.873 20.595 1.00 0.90 H new ATOM 0 HE3 LYS A 42 -19.705 -7.555 19.054 1.00 0.90 H new ATOM 0 HZ1 LYS A 42 -18.220 -8.706 20.556 1.00 1.08 H new ATOM 0 HZ2 LYS A 42 -17.613 -7.157 20.214 1.00 1.08 H new ATOM 0 HZ3 LYS A 42 -18.360 -7.466 21.707 1.00 1.08 H new ATOM 359 N ARG A 43 -18.003 -0.352 18.656 1.00 0.58 N ATOM 360 CA ARG A 43 -18.102 1.072 18.943 1.00 0.58 C ATOM 361 C ARG A 43 -18.622 1.847 17.738 1.00 0.55 C ATOM 362 O ARG A 43 -18.614 1.350 16.610 1.00 0.55 O ATOM 363 CB ARG A 43 -16.737 1.631 19.351 1.00 0.58 C ATOM 364 CG ARG A 43 -16.271 1.164 20.717 1.00 0.60 C ATOM 365 CD ARG A 43 -14.927 1.771 21.080 1.00 0.60 C ATOM 366 NE ARG A 43 -13.858 1.291 20.205 1.00 0.57 N ATOM 367 CZ ARG A 43 -12.714 1.940 20.001 1.00 0.57 C ATOM 368 NH1 ARG A 43 -12.483 3.100 20.601 1.00 0.62 N ATOM 369 NH2 ARG A 43 -11.807 1.428 19.183 1.00 0.57 N ATOM 0 H ARG A 43 -17.062 -0.670 18.423 1.00 0.58 H new ATOM 0 HA ARG A 43 -18.808 1.191 19.765 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -15.997 1.340 18.605 1.00 0.58 H new ATOM 0 HB3 ARG A 43 -16.784 2.720 19.345 1.00 0.58 H new ATOM 0 HG2 ARG A 43 -17.011 1.438 21.469 1.00 0.60 H new ATOM 0 HG3 ARG A 43 -16.195 0.077 20.725 1.00 0.60 H new ATOM 0 HD2 ARG A 43 -14.990 2.857 21.014 1.00 0.60 H new ATOM 0 HD3 ARG A 43 -14.686 1.527 22.115 1.00 0.60 H new ATOM 0 HE ARG A 43 -13.998 0.404 19.721 1.00 0.57 H new ATOM 0 HH11 ARG A 43 -13.184 3.501 21.224 1.00 0.62 H new ATOM 0 HH12 ARG A 43 -11.604 3.591 20.440 1.00 0.62 H new ATOM 0 HH21 ARG A 43 -11.987 0.541 18.713 1.00 0.57 H new ATOM 0 HH22 ARG A 43 -10.929 1.921 19.023 1.00 0.57 H new ATOM 383 N LYS A 44 -19.079 3.065 17.984 1.00 0.57 N ATOM 384 CA LYS A 44 -19.580 3.921 16.923 1.00 0.56 C ATOM 385 C LYS A 44 -18.447 4.807 16.438 1.00 0.53 C ATOM 386 O LYS A 44 -17.905 5.601 17.207 1.00 0.59 O ATOM 387 CB LYS A 44 -20.746 4.777 17.420 1.00 0.62 C ATOM 388 CG LYS A 44 -21.873 3.973 18.040 1.00 0.70 C ATOM 389 CD LYS A 44 -23.031 4.868 18.451 1.00 0.79 C ATOM 390 CE LYS A 44 -23.997 4.139 19.368 1.00 0.93 C ATOM 391 NZ LYS A 44 -25.060 5.039 19.896 1.00 1.07 N ATOM 0 H LYS A 44 -19.113 3.483 18.914 1.00 0.57 H new ATOM 0 HA LYS A 44 -19.947 3.304 16.103 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -20.374 5.490 18.155 1.00 0.62 H new ATOM 0 HB3 LYS A 44 -21.141 5.356 16.586 1.00 0.62 H new ATOM 0 HG2 LYS A 44 -22.223 3.226 17.328 1.00 0.70 H new ATOM 0 HG3 LYS A 44 -21.501 3.434 18.911 1.00 0.70 H new ATOM 0 HD2 LYS A 44 -22.646 5.754 18.956 1.00 0.79 H new ATOM 0 HD3 LYS A 44 -23.560 5.212 17.562 1.00 0.79 H new ATOM 0 HE2 LYS A 44 -24.458 3.314 18.825 1.00 0.93 H new ATOM 0 HE3 LYS A 44 -23.446 3.703 20.201 1.00 0.93 H new ATOM 0 HZ1 LYS A 44 -25.696 4.499 20.517 1.00 1.07 H new ATOM 0 HZ2 LYS A 44 -24.623 5.812 20.437 1.00 1.07 H new ATOM 0 HZ3 LYS A 44 -25.604 5.435 19.104 1.00 1.07 H new ATOM 405 N GLY A 45 -18.084 4.679 15.173 1.00 0.52 N ATOM 406 CA GLY A 45 -16.988 5.464 14.662 1.00 0.51 C ATOM 407 C GLY A 45 -17.361 6.375 13.523 1.00 0.48 C ATOM 408 O GLY A 45 -18.343 6.147 12.813 1.00 0.50 O ATOM 0 H GLY A 45 -18.524 4.053 14.499 1.00 0.52 H new ATOM 0 HA2 GLY A 45 -16.576 6.065 15.473 1.00 0.51 H new ATOM 0 HA3 GLY A 45 -16.197 4.791 14.331 1.00 0.51 H new ATOM 412 N LEU A 46 -16.573 7.416 13.367 1.00 0.46 N ATOM 413 CA LEU A 46 -16.767 8.384 12.315 1.00 0.45 C ATOM 414 C LEU A 46 -15.506 8.471 11.466 1.00 0.41 C ATOM 415 O LEU A 46 -14.473 8.971 11.920 1.00 0.42 O ATOM 416 CB LEU A 46 -17.101 9.755 12.908 1.00 0.47 C ATOM 417 CG LEU A 46 -17.484 10.831 11.890 1.00 0.51 C ATOM 418 CD1 LEU A 46 -18.881 10.581 11.346 1.00 0.56 C ATOM 419 CD2 LEU A 46 -17.392 12.217 12.513 1.00 0.59 C ATOM 0 H LEU A 46 -15.775 7.614 13.971 1.00 0.46 H new ATOM 0 HA LEU A 46 -17.601 8.068 11.689 1.00 0.45 H new ATOM 0 HB2 LEU A 46 -17.923 9.637 13.614 1.00 0.47 H new ATOM 0 HB3 LEU A 46 -16.240 10.106 13.477 1.00 0.47 H new ATOM 0 HG LEU A 46 -16.779 10.782 11.060 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -19.134 11.357 10.624 1.00 0.56 H new ATOM 0 HD12 LEU A 46 -18.912 9.607 10.858 1.00 0.56 H new ATOM 0 HD13 LEU A 46 -19.599 10.600 12.166 1.00 0.56 H new ATOM 0 HD21 LEU A 46 -17.668 12.968 11.773 1.00 0.59 H new ATOM 0 HD22 LEU A 46 -18.071 12.279 13.364 1.00 0.59 H new ATOM 0 HD23 LEU A 46 -16.371 12.398 12.849 1.00 0.59 H new ATOM 431 N VAL A 47 -15.583 7.956 10.254 1.00 0.40 N ATOM 432 CA VAL A 47 -14.453 7.983 9.347 1.00 0.39 C ATOM 433 C VAL A 47 -14.415 9.330 8.643 1.00 0.37 C ATOM 434 O VAL A 47 -15.355 9.682 7.929 1.00 0.40 O ATOM 435 CB VAL A 47 -14.537 6.856 8.301 1.00 0.41 C ATOM 436 CG1 VAL A 47 -13.322 6.881 7.387 1.00 0.57 C ATOM 437 CG2 VAL A 47 -14.661 5.501 8.982 1.00 0.43 C ATOM 0 H VAL A 47 -16.419 7.513 9.874 1.00 0.40 H new ATOM 0 HA VAL A 47 -13.543 7.831 9.928 1.00 0.39 H new ATOM 0 HB VAL A 47 -15.428 7.020 7.694 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -13.401 6.077 6.655 1.00 0.57 H new ATOM 0 HG12 VAL A 47 -13.276 7.839 6.870 1.00 0.57 H new ATOM 0 HG13 VAL A 47 -12.418 6.745 7.980 1.00 0.57 H new ATOM 0 HG21 VAL A 47 -14.719 4.718 8.226 1.00 0.43 H new ATOM 0 HG22 VAL A 47 -13.790 5.331 9.615 1.00 0.43 H new ATOM 0 HG23 VAL A 47 -15.563 5.482 9.594 1.00 0.43 H new ATOM 447 N TYR A 48 -13.349 10.087 8.850 1.00 0.37 N ATOM 448 CA TYR A 48 -13.244 11.398 8.236 1.00 0.37 C ATOM 449 C TYR A 48 -11.901 11.592 7.548 1.00 0.34 C ATOM 450 O TYR A 48 -10.869 11.089 7.999 1.00 0.36 O ATOM 451 CB TYR A 48 -13.482 12.500 9.278 1.00 0.43 C ATOM 452 CG TYR A 48 -12.328 12.727 10.236 1.00 0.44 C ATOM 453 CD1 TYR A 48 -12.133 11.899 11.337 1.00 0.63 C ATOM 454 CD2 TYR A 48 -11.436 13.774 10.039 1.00 0.46 C ATOM 455 CE1 TYR A 48 -11.081 12.111 12.212 1.00 0.73 C ATOM 456 CE2 TYR A 48 -10.383 13.994 10.910 1.00 0.54 C ATOM 457 CZ TYR A 48 -10.210 13.160 11.993 1.00 0.64 C ATOM 458 OH TYR A 48 -9.161 13.381 12.863 1.00 0.78 O ATOM 0 H TYR A 48 -12.554 9.820 9.431 1.00 0.37 H new ATOM 0 HA TYR A 48 -14.017 11.466 7.470 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -13.693 13.434 8.757 1.00 0.43 H new ATOM 0 HB3 TYR A 48 -14.372 12.249 9.855 1.00 0.43 H new ATOM 0 HD1 TYR A 48 -12.813 11.078 11.512 1.00 0.63 H new ATOM 0 HD2 TYR A 48 -11.567 14.429 9.190 1.00 0.46 H new ATOM 0 HE1 TYR A 48 -10.942 11.459 13.062 1.00 0.73 H new ATOM 0 HE2 TYR A 48 -9.701 14.814 10.742 1.00 0.54 H new ATOM 0 HH TYR A 48 -8.645 14.158 12.562 1.00 0.78 H new ATOM 468 N ILE A 49 -11.931 12.314 6.439 1.00 0.33 N ATOM 469 CA ILE A 49 -10.733 12.615 5.675 1.00 0.32 C ATOM 470 C ILE A 49 -10.460 14.111 5.745 1.00 0.30 C ATOM 471 O ILE A 49 -11.386 14.920 5.624 1.00 0.35 O ATOM 472 CB ILE A 49 -10.868 12.191 4.197 1.00 0.37 C ATOM 473 CG1 ILE A 49 -11.402 10.762 4.091 1.00 0.48 C ATOM 474 CG2 ILE A 49 -9.524 12.304 3.493 1.00 0.41 C ATOM 475 CD1 ILE A 49 -11.721 10.338 2.673 1.00 0.69 C ATOM 0 H ILE A 49 -12.786 12.707 6.045 1.00 0.33 H new ATOM 0 HA ILE A 49 -9.907 12.051 6.109 1.00 0.32 H new ATOM 0 HB ILE A 49 -11.578 12.860 3.711 1.00 0.37 H new ATOM 0 HG12 ILE A 49 -10.666 10.076 4.510 1.00 0.48 H new ATOM 0 HG13 ILE A 49 -12.302 10.673 4.699 1.00 0.48 H new ATOM 0 HG21 ILE A 49 -9.632 12.002 2.451 1.00 0.41 H new ATOM 0 HG22 ILE A 49 -9.176 13.336 3.537 1.00 0.41 H new ATOM 0 HG23 ILE A 49 -8.800 11.655 3.985 1.00 0.41 H new ATOM 0 HD11 ILE A 49 -12.095 9.314 2.675 1.00 0.69 H new ATOM 0 HD12 ILE A 49 -12.480 11.001 2.257 1.00 0.69 H new ATOM 0 HD13 ILE A 49 -10.818 10.394 2.065 1.00 0.69 H new ATOM 487 N GLN A 50 -9.206 14.481 5.949 1.00 0.30 N ATOM 488 CA GLN A 50 -8.836 15.884 6.055 1.00 0.33 C ATOM 489 C GLN A 50 -7.541 16.167 5.299 1.00 0.30 C ATOM 490 O GLN A 50 -6.695 15.283 5.145 1.00 0.36 O ATOM 491 CB GLN A 50 -8.678 16.270 7.528 1.00 0.42 C ATOM 492 CG GLN A 50 -8.554 17.766 7.768 1.00 0.51 C ATOM 493 CD GLN A 50 -8.160 18.101 9.196 1.00 0.66 C ATOM 494 OE1 GLN A 50 -7.446 17.343 9.853 1.00 0.82 O ATOM 495 NE2 GLN A 50 -8.615 19.244 9.681 1.00 0.86 N ATOM 0 H GLN A 50 -8.427 13.830 6.045 1.00 0.30 H new ATOM 0 HA GLN A 50 -9.629 16.483 5.607 1.00 0.33 H new ATOM 0 HB2 GLN A 50 -9.536 15.893 8.085 1.00 0.42 H new ATOM 0 HB3 GLN A 50 -7.794 15.774 7.930 1.00 0.42 H new ATOM 0 HG2 GLN A 50 -7.812 18.179 7.085 1.00 0.51 H new ATOM 0 HG3 GLN A 50 -9.504 18.247 7.535 1.00 0.51 H new ATOM 0 HE21 GLN A 50 -9.204 19.844 9.104 1.00 0.86 H new ATOM 0 HE22 GLN A 50 -8.377 19.525 10.632 1.00 0.86 H new ATOM 504 N GLN A 51 -7.399 17.396 4.822 1.00 0.37 N ATOM 505 CA GLN A 51 -6.209 17.814 4.099 1.00 0.37 C ATOM 506 C GLN A 51 -5.619 19.045 4.776 1.00 0.39 C ATOM 507 O GLN A 51 -6.300 20.060 4.940 1.00 0.51 O ATOM 508 CB GLN A 51 -6.547 18.124 2.638 1.00 0.44 C ATOM 509 CG GLN A 51 -5.332 18.186 1.722 1.00 0.52 C ATOM 510 CD GLN A 51 -5.709 18.464 0.279 1.00 0.72 C ATOM 511 OE1 GLN A 51 -6.649 19.211 0.005 1.00 0.91 O ATOM 512 NE2 GLN A 51 -4.990 17.859 -0.655 1.00 0.93 N ATOM 0 H GLN A 51 -8.103 18.127 4.925 1.00 0.37 H new ATOM 0 HA GLN A 51 -5.479 17.005 4.113 1.00 0.37 H new ATOM 0 HB2 GLN A 51 -7.232 17.363 2.265 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -7.073 19.077 2.592 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -4.654 18.964 2.074 1.00 0.52 H new ATOM 0 HG3 GLN A 51 -4.790 17.242 1.778 1.00 0.52 H new ATOM 0 HE21 GLN A 51 -4.219 17.247 -0.388 1.00 0.93 H new ATOM 0 HE22 GLN A 51 -5.208 18.005 -1.641 1.00 0.93 H new ATOM 521 N THR A 52 -4.369 18.944 5.188 1.00 0.38 N ATOM 522 CA THR A 52 -3.704 20.045 5.866 1.00 0.45 C ATOM 523 C THR A 52 -2.792 20.824 4.920 1.00 0.36 C ATOM 524 O THR A 52 -2.814 20.611 3.706 1.00 0.33 O ATOM 525 CB THR A 52 -2.884 19.522 7.060 1.00 0.59 C ATOM 526 OG1 THR A 52 -2.646 18.118 6.910 1.00 0.65 O ATOM 527 CG2 THR A 52 -3.611 19.775 8.369 1.00 0.80 C ATOM 0 H THR A 52 -3.792 18.112 5.066 1.00 0.38 H new ATOM 0 HA THR A 52 -4.480 20.722 6.224 1.00 0.45 H new ATOM 0 HB THR A 52 -1.934 20.055 7.080 1.00 0.59 H new ATOM 0 HG1 THR A 52 -2.163 17.956 6.073 1.00 0.65 H new ATOM 0 HG21 THR A 52 -3.012 19.397 9.197 1.00 0.80 H new ATOM 0 HG22 THR A 52 -3.770 20.846 8.496 1.00 0.80 H new ATOM 0 HG23 THR A 52 -4.574 19.264 8.355 1.00 0.80 H new ATOM 535 N ASP A 53 -1.987 21.720 5.486 1.00 0.40 N ATOM 536 CA ASP A 53 -1.061 22.544 4.708 1.00 0.41 C ATOM 537 C ASP A 53 0.218 21.782 4.400 1.00 0.39 C ATOM 538 O ASP A 53 1.186 22.346 3.891 1.00 0.52 O ATOM 539 CB ASP A 53 -0.722 23.831 5.459 1.00 0.52 C ATOM 540 CG ASP A 53 -0.040 23.572 6.789 1.00 0.62 C ATOM 541 OD1 ASP A 53 -0.662 22.938 7.672 1.00 0.77 O ATOM 542 OD2 ASP A 53 1.119 23.998 6.962 1.00 0.74 O ATOM 0 H ASP A 53 -1.957 21.896 6.490 1.00 0.40 H new ATOM 0 HA ASP A 53 -1.553 22.798 3.769 1.00 0.41 H new ATOM 0 HB2 ASP A 53 -0.074 24.449 4.838 1.00 0.52 H new ATOM 0 HB3 ASP A 53 -1.637 24.399 5.629 1.00 0.52 H new ATOM 547 N ASP A 54 0.212 20.500 4.725 1.00 0.42 N ATOM 548 CA ASP A 54 1.348 19.633 4.469 1.00 0.55 C ATOM 549 C ASP A 54 1.186 18.984 3.102 1.00 0.45 C ATOM 550 O ASP A 54 2.059 18.246 2.638 1.00 0.52 O ATOM 551 CB ASP A 54 1.477 18.561 5.563 1.00 0.73 C ATOM 552 CG ASP A 54 0.229 17.708 5.736 1.00 0.74 C ATOM 553 OD1 ASP A 54 -0.792 17.969 5.062 1.00 0.65 O ATOM 554 OD2 ASP A 54 0.258 16.780 6.573 1.00 1.10 O ATOM 0 H ASP A 54 -0.577 20.033 5.172 1.00 0.42 H new ATOM 0 HA ASP A 54 2.260 20.230 4.481 1.00 0.55 H new ATOM 0 HB2 ASP A 54 2.320 17.912 5.325 1.00 0.73 H new ATOM 0 HB3 ASP A 54 1.707 19.048 6.511 1.00 0.73 H new ATOM 559 N SER A 55 0.046 19.284 2.472 1.00 0.36 N ATOM 560 CA SER A 55 -0.300 18.769 1.151 1.00 0.40 C ATOM 561 C SER A 55 -0.443 17.250 1.175 1.00 0.37 C ATOM 562 O SER A 55 -0.246 16.581 0.159 1.00 0.52 O ATOM 563 CB SER A 55 0.749 19.200 0.122 1.00 0.57 C ATOM 564 OG SER A 55 1.070 20.576 0.273 1.00 0.66 O ATOM 0 H SER A 55 -0.666 19.896 2.871 1.00 0.36 H new ATOM 0 HA SER A 55 -1.263 19.189 0.862 1.00 0.40 H new ATOM 0 HB2 SER A 55 1.649 18.597 0.240 1.00 0.57 H new ATOM 0 HB3 SER A 55 0.373 19.018 -0.885 1.00 0.57 H new ATOM 0 HG SER A 55 1.743 20.830 -0.393 1.00 0.66 H new ATOM 570 N LEU A 56 -0.796 16.713 2.339 1.00 0.28 N ATOM 571 CA LEU A 56 -0.966 15.280 2.493 1.00 0.31 C ATOM 572 C LEU A 56 -2.395 14.951 2.899 1.00 0.27 C ATOM 573 O LEU A 56 -3.000 15.657 3.711 1.00 0.30 O ATOM 574 CB LEU A 56 -0.003 14.737 3.554 1.00 0.38 C ATOM 575 CG LEU A 56 1.464 15.152 3.404 1.00 0.40 C ATOM 576 CD1 LEU A 56 2.283 14.650 4.587 1.00 0.49 C ATOM 577 CD2 LEU A 56 2.038 14.623 2.099 1.00 0.48 C ATOM 0 H LEU A 56 -0.969 17.253 3.187 1.00 0.28 H new ATOM 0 HA LEU A 56 -0.748 14.811 1.533 1.00 0.31 H new ATOM 0 HB2 LEU A 56 -0.353 15.061 4.534 1.00 0.38 H new ATOM 0 HB3 LEU A 56 -0.055 13.648 3.541 1.00 0.38 H new ATOM 0 HG LEU A 56 1.513 16.241 3.386 1.00 0.40 H new ATOM 0 HD11 LEU A 56 3.323 14.953 4.465 1.00 0.49 H new ATOM 0 HD12 LEU A 56 1.887 15.074 5.510 1.00 0.49 H new ATOM 0 HD13 LEU A 56 2.226 13.563 4.634 1.00 0.49 H new ATOM 0 HD21 LEU A 56 3.081 14.928 2.010 1.00 0.48 H new ATOM 0 HD22 LEU A 56 1.976 13.535 2.089 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.469 15.027 1.261 1.00 0.48 H new ATOM 589 N ILE A 57 -2.936 13.890 2.322 1.00 0.27 N ATOM 590 CA ILE A 57 -4.279 13.453 2.650 1.00 0.26 C ATOM 591 C ILE A 57 -4.241 12.663 3.952 1.00 0.24 C ATOM 592 O ILE A 57 -3.478 11.709 4.085 1.00 0.29 O ATOM 593 CB ILE A 57 -4.888 12.579 1.532 1.00 0.30 C ATOM 594 CG1 ILE A 57 -5.062 13.393 0.248 1.00 0.45 C ATOM 595 CG2 ILE A 57 -6.219 11.986 1.971 1.00 0.35 C ATOM 596 CD1 ILE A 57 -5.922 14.623 0.421 1.00 0.57 C ATOM 0 H ILE A 57 -2.463 13.316 1.624 1.00 0.27 H new ATOM 0 HA ILE A 57 -4.908 14.337 2.758 1.00 0.26 H new ATOM 0 HB ILE A 57 -4.200 11.758 1.331 1.00 0.30 H new ATOM 0 HG12 ILE A 57 -4.080 13.695 -0.116 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -5.504 12.756 -0.518 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -6.628 11.375 1.167 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -6.068 11.368 2.856 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -6.916 12.790 2.206 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -6.000 15.149 -0.530 1.00 0.57 H new ATOM 0 HD12 ILE A 57 -6.917 14.328 0.755 1.00 0.57 H new ATOM 0 HD13 ILE A 57 -5.471 15.281 1.163 1.00 0.57 H new ATOM 608 N HIS A 58 -5.049 13.062 4.915 1.00 0.25 N ATOM 609 CA HIS A 58 -5.069 12.393 6.202 1.00 0.27 C ATOM 610 C HIS A 58 -6.348 11.598 6.401 1.00 0.27 C ATOM 611 O HIS A 58 -7.452 12.138 6.307 1.00 0.33 O ATOM 612 CB HIS A 58 -4.887 13.411 7.329 1.00 0.32 C ATOM 613 CG HIS A 58 -3.491 13.952 7.400 1.00 0.39 C ATOM 614 ND1 HIS A 58 -2.492 13.363 8.142 1.00 0.51 N ATOM 615 CD2 HIS A 58 -2.921 15.018 6.789 1.00 0.48 C ATOM 616 CE1 HIS A 58 -1.370 14.042 7.984 1.00 0.61 C ATOM 617 NE2 HIS A 58 -1.605 15.047 7.169 1.00 0.59 N ATOM 0 H HIS A 58 -5.699 13.844 4.832 1.00 0.25 H new ATOM 0 HA HIS A 58 -4.239 11.687 6.225 1.00 0.27 H new ATOM 0 HB2 HIS A 58 -5.585 14.236 7.184 1.00 0.32 H new ATOM 0 HB3 HIS A 58 -5.140 12.943 8.280 1.00 0.32 H new ATOM 0 HD2 HIS A 58 -3.412 15.715 6.126 1.00 0.48 H new ATOM 0 HE1 HIS A 58 -0.421 13.811 8.446 1.00 0.61 H new ATOM 0 HE2 HIS A 58 -0.917 15.738 6.868 1.00 0.59 H new ATOM 626 N PHE A 59 -6.182 10.310 6.657 1.00 0.27 N ATOM 627 CA PHE A 59 -7.296 9.406 6.892 1.00 0.28 C ATOM 628 C PHE A 59 -7.306 9.038 8.368 1.00 0.31 C ATOM 629 O PHE A 59 -6.324 8.493 8.874 1.00 0.36 O ATOM 630 CB PHE A 59 -7.129 8.152 6.034 1.00 0.31 C ATOM 631 CG PHE A 59 -8.402 7.405 5.757 1.00 0.45 C ATOM 632 CD1 PHE A 59 -9.232 7.793 4.720 1.00 0.69 C ATOM 633 CD2 PHE A 59 -8.760 6.307 6.524 1.00 0.63 C ATOM 634 CE1 PHE A 59 -10.398 7.101 4.451 1.00 0.92 C ATOM 635 CE2 PHE A 59 -9.923 5.610 6.259 1.00 0.84 C ATOM 636 CZ PHE A 59 -10.743 6.007 5.222 1.00 0.94 C ATOM 0 H PHE A 59 -5.268 9.861 6.708 1.00 0.27 H new ATOM 0 HA PHE A 59 -8.238 9.884 6.624 1.00 0.28 H new ATOM 0 HB2 PHE A 59 -6.677 8.436 5.084 1.00 0.31 H new ATOM 0 HB3 PHE A 59 -6.430 7.479 6.531 1.00 0.31 H new ATOM 0 HD1 PHE A 59 -8.966 8.646 4.114 1.00 0.69 H new ATOM 0 HD2 PHE A 59 -8.123 5.993 7.338 1.00 0.63 H new ATOM 0 HE1 PHE A 59 -11.038 7.415 3.640 1.00 0.92 H new ATOM 0 HE2 PHE A 59 -10.190 4.755 6.863 1.00 0.84 H new ATOM 0 HZ PHE A 59 -11.653 5.464 5.013 1.00 0.94 H new ATOM 646 N CYS A 60 -8.389 9.351 9.068 1.00 0.33 N ATOM 647 CA CYS A 60 -8.464 9.060 10.494 1.00 0.38 C ATOM 648 C CYS A 60 -9.839 8.551 10.908 1.00 0.38 C ATOM 649 O CYS A 60 -10.849 8.840 10.262 1.00 0.40 O ATOM 650 CB CYS A 60 -8.127 10.313 11.307 1.00 0.43 C ATOM 651 SG CYS A 60 -6.674 11.220 10.737 1.00 0.46 S ATOM 0 H CYS A 60 -9.217 9.800 8.678 1.00 0.33 H new ATOM 0 HA CYS A 60 -7.738 8.273 10.696 1.00 0.38 H new ATOM 0 HB2 CYS A 60 -8.986 10.983 11.288 1.00 0.43 H new ATOM 0 HB3 CYS A 60 -7.972 10.023 12.346 1.00 0.43 H new ATOM 0 HG CYS A 60 -5.608 10.728 11.296 1.00 0.46 H new ATOM 657 N TRP A 61 -9.859 7.802 12.002 1.00 0.39 N ATOM 658 CA TRP A 61 -11.089 7.253 12.558 1.00 0.39 C ATOM 659 C TRP A 61 -11.333 7.869 13.929 1.00 0.42 C ATOM 660 O TRP A 61 -10.482 7.778 14.819 1.00 0.45 O ATOM 661 CB TRP A 61 -10.998 5.724 12.674 1.00 0.40 C ATOM 662 CG TRP A 61 -12.245 5.077 13.208 1.00 0.41 C ATOM 663 CD1 TRP A 61 -13.311 4.630 12.480 1.00 0.43 C ATOM 664 CD2 TRP A 61 -12.548 4.795 14.582 1.00 0.43 C ATOM 665 NE1 TRP A 61 -14.261 4.092 13.315 1.00 0.45 N ATOM 666 CE2 TRP A 61 -13.815 4.186 14.614 1.00 0.45 C ATOM 667 CE3 TRP A 61 -11.870 5.006 15.787 1.00 0.46 C ATOM 668 CZ2 TRP A 61 -14.417 3.779 15.804 1.00 0.49 C ATOM 669 CZ3 TRP A 61 -12.470 4.604 16.966 1.00 0.51 C ATOM 670 CH2 TRP A 61 -13.731 3.999 16.968 1.00 0.52 C ATOM 0 H TRP A 61 -9.021 7.557 12.530 1.00 0.39 H new ATOM 0 HA TRP A 61 -11.919 7.492 11.894 1.00 0.39 H new ATOM 0 HB2 TRP A 61 -10.777 5.308 11.691 1.00 0.40 H new ATOM 0 HB3 TRP A 61 -10.161 5.468 13.324 1.00 0.40 H new ATOM 0 HD1 TRP A 61 -13.395 4.691 11.405 1.00 0.43 H new ATOM 0 HE1 TRP A 61 -15.151 3.689 13.020 1.00 0.45 H new ATOM 0 HE3 TRP A 61 -10.897 5.474 15.796 1.00 0.46 H new ATOM 0 HZ2 TRP A 61 -15.389 3.308 15.807 1.00 0.49 H new ATOM 0 HZ3 TRP A 61 -11.955 4.760 17.903 1.00 0.51 H new ATOM 0 HH2 TRP A 61 -14.172 3.699 17.907 1.00 0.52 H new ATOM 681 N LYS A 62 -12.477 8.510 14.097 1.00 0.46 N ATOM 682 CA LYS A 62 -12.808 9.142 15.363 1.00 0.50 C ATOM 683 C LYS A 62 -13.959 8.424 16.054 1.00 0.51 C ATOM 684 O LYS A 62 -14.948 8.062 15.416 1.00 0.51 O ATOM 685 CB LYS A 62 -13.174 10.613 15.141 1.00 0.57 C ATOM 686 CG LYS A 62 -13.623 11.329 16.408 1.00 0.63 C ATOM 687 CD LYS A 62 -14.357 12.625 16.106 1.00 0.75 C ATOM 688 CE LYS A 62 -13.396 13.773 15.851 1.00 0.93 C ATOM 689 NZ LYS A 62 -14.116 15.055 15.644 1.00 1.04 N ATOM 0 H LYS A 62 -13.191 8.607 13.375 1.00 0.46 H new ATOM 0 HA LYS A 62 -11.930 9.081 16.006 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -12.312 11.134 14.726 1.00 0.57 H new ATOM 0 HB3 LYS A 62 -13.970 10.672 14.399 1.00 0.57 H new ATOM 0 HG2 LYS A 62 -14.274 10.671 16.984 1.00 0.63 H new ATOM 0 HG3 LYS A 62 -12.754 11.542 17.030 1.00 0.63 H new ATOM 0 HD2 LYS A 62 -14.996 12.486 15.234 1.00 0.75 H new ATOM 0 HD3 LYS A 62 -15.009 12.876 16.942 1.00 0.75 H new ATOM 0 HE2 LYS A 62 -12.714 13.871 16.695 1.00 0.93 H new ATOM 0 HE3 LYS A 62 -12.788 13.551 14.974 1.00 0.93 H new ATOM 0 HZ1 LYS A 62 -13.815 15.481 14.744 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -15.140 14.877 15.617 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -13.898 15.706 16.425 1.00 1.04 H new ATOM 703 N ASP A 63 -13.820 8.213 17.354 1.00 0.53 N ATOM 704 CA ASP A 63 -14.866 7.573 18.139 1.00 0.55 C ATOM 705 C ASP A 63 -15.989 8.582 18.369 1.00 0.57 C ATOM 706 O ASP A 63 -15.728 9.730 18.723 1.00 0.62 O ATOM 707 CB ASP A 63 -14.301 7.071 19.472 1.00 0.61 C ATOM 708 CG ASP A 63 -15.349 6.398 20.332 1.00 0.65 C ATOM 709 OD1 ASP A 63 -15.580 5.183 20.167 1.00 1.09 O ATOM 710 OD2 ASP A 63 -15.952 7.086 21.175 1.00 0.92 O ATOM 0 H ASP A 63 -12.992 8.476 17.889 1.00 0.53 H new ATOM 0 HA ASP A 63 -15.259 6.710 17.601 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -13.490 6.369 19.277 1.00 0.61 H new ATOM 0 HB3 ASP A 63 -13.871 7.910 20.019 1.00 0.61 H new ATOM 715 N ARG A 64 -17.229 8.157 18.170 1.00 0.58 N ATOM 716 CA ARG A 64 -18.376 9.057 18.307 1.00 0.61 C ATOM 717 C ARG A 64 -18.831 9.238 19.755 1.00 0.66 C ATOM 718 O ARG A 64 -19.749 10.015 20.024 1.00 0.75 O ATOM 719 CB ARG A 64 -19.543 8.558 17.459 1.00 0.63 C ATOM 720 CG ARG A 64 -19.263 8.582 15.966 1.00 0.63 C ATOM 721 CD ARG A 64 -20.474 8.132 15.163 1.00 0.65 C ATOM 722 NE ARG A 64 -21.595 9.065 15.291 1.00 0.78 N ATOM 723 CZ ARG A 64 -22.873 8.699 15.423 1.00 0.91 C ATOM 724 NH1 ARG A 64 -23.205 7.412 15.441 1.00 0.99 N ATOM 725 NH2 ARG A 64 -23.817 9.623 15.549 1.00 1.14 N ATOM 0 H ARG A 64 -17.471 7.200 17.914 1.00 0.58 H new ATOM 0 HA ARG A 64 -18.045 10.033 17.953 1.00 0.61 H new ATOM 0 HB2 ARG A 64 -19.789 7.539 17.758 1.00 0.63 H new ATOM 0 HB3 ARG A 64 -20.420 9.171 17.666 1.00 0.63 H new ATOM 0 HG2 ARG A 64 -18.980 9.590 15.664 1.00 0.63 H new ATOM 0 HG3 ARG A 64 -18.416 7.933 15.743 1.00 0.63 H new ATOM 0 HD2 ARG A 64 -20.198 8.039 14.113 1.00 0.65 H new ATOM 0 HD3 ARG A 64 -20.785 7.143 15.500 1.00 0.65 H new ATOM 0 HE ARG A 64 -21.386 10.063 15.279 1.00 0.78 H new ATOM 0 HH11 ARG A 64 -22.482 6.698 15.354 1.00 0.99 H new ATOM 0 HH12 ARG A 64 -24.183 7.139 15.542 1.00 0.99 H new ATOM 0 HH21 ARG A 64 -23.567 10.612 15.545 1.00 1.14 H new ATOM 0 HH22 ARG A 64 -24.793 9.344 15.650 1.00 1.14 H new ATOM 739 N THR A 65 -18.203 8.540 20.683 1.00 0.68 N ATOM 740 CA THR A 65 -18.572 8.647 22.083 1.00 0.74 C ATOM 741 C THR A 65 -17.588 9.541 22.837 1.00 0.75 C ATOM 742 O THR A 65 -17.982 10.522 23.466 1.00 0.83 O ATOM 743 CB THR A 65 -18.641 7.254 22.741 1.00 0.76 C ATOM 744 OG1 THR A 65 -19.526 6.415 21.985 1.00 0.88 O ATOM 745 CG2 THR A 65 -19.133 7.347 24.179 1.00 0.93 C ATOM 0 H THR A 65 -17.437 7.894 20.494 1.00 0.68 H new ATOM 0 HA THR A 65 -19.561 9.102 22.134 1.00 0.74 H new ATOM 0 HB THR A 65 -17.638 6.828 22.751 1.00 0.76 H new ATOM 0 HG1 THR A 65 -19.570 5.528 22.400 1.00 0.88 H new ATOM 0 HG21 THR A 65 -19.171 6.349 24.616 1.00 0.93 H new ATOM 0 HG22 THR A 65 -18.451 7.971 24.757 1.00 0.93 H new ATOM 0 HG23 THR A 65 -20.130 7.788 24.195 1.00 0.93 H new ATOM 753 N SER A 66 -16.310 9.207 22.762 1.00 0.71 N ATOM 754 CA SER A 66 -15.282 9.989 23.434 1.00 0.75 C ATOM 755 C SER A 66 -14.850 11.174 22.575 1.00 0.73 C ATOM 756 O SER A 66 -14.506 12.239 23.092 1.00 0.79 O ATOM 757 CB SER A 66 -14.074 9.104 23.742 1.00 0.75 C ATOM 758 OG SER A 66 -14.479 7.822 24.196 1.00 0.75 O ATOM 0 H SER A 66 -15.959 8.402 22.244 1.00 0.71 H new ATOM 0 HA SER A 66 -15.698 10.373 24.366 1.00 0.75 H new ATOM 0 HB2 SER A 66 -13.460 8.999 22.848 1.00 0.75 H new ATOM 0 HB3 SER A 66 -13.454 9.582 24.500 1.00 0.75 H new ATOM 0 HG SER A 66 -13.687 7.276 24.384 1.00 0.75 H new ATOM 764 N GLY A 67 -14.892 10.992 21.264 1.00 0.67 N ATOM 765 CA GLY A 67 -14.479 12.043 20.357 1.00 0.67 C ATOM 766 C GLY A 67 -12.991 11.975 20.087 1.00 0.65 C ATOM 767 O GLY A 67 -12.411 12.892 19.511 1.00 0.70 O ATOM 0 H GLY A 67 -15.205 10.134 20.811 1.00 0.67 H new ATOM 0 HA2 GLY A 67 -15.027 11.954 19.419 1.00 0.67 H new ATOM 0 HA3 GLY A 67 -14.731 13.015 20.782 1.00 0.67 H new ATOM 771 N ASN A 68 -12.390 10.868 20.504 1.00 0.63 N ATOM 772 CA ASN A 68 -10.961 10.642 20.343 1.00 0.63 C ATOM 773 C ASN A 68 -10.646 10.076 18.966 1.00 0.58 C ATOM 774 O ASN A 68 -11.412 9.279 18.420 1.00 0.58 O ATOM 775 CB ASN A 68 -10.468 9.665 21.415 1.00 0.68 C ATOM 776 CG ASN A 68 -9.557 10.311 22.444 1.00 0.85 C ATOM 777 OD1 ASN A 68 -8.828 11.257 22.145 1.00 1.01 O ATOM 778 ND2 ASN A 68 -9.590 9.800 23.665 1.00 1.01 N ATOM 0 H ASN A 68 -12.881 10.101 20.964 1.00 0.63 H new ATOM 0 HA ASN A 68 -10.453 11.601 20.449 1.00 0.63 H new ATOM 0 HB2 ASN A 68 -11.328 9.230 21.924 1.00 0.68 H new ATOM 0 HB3 ASN A 68 -9.936 8.845 20.932 1.00 0.68 H new ATOM 0 HD21 ASN A 68 -8.997 10.191 24.398 1.00 1.01 H new ATOM 0 HD22 ASN A 68 -10.208 9.016 23.873 1.00 1.01 H new ATOM 785 N VAL A 69 -9.528 10.501 18.404 1.00 0.56 N ATOM 786 CA VAL A 69 -9.097 10.025 17.099 1.00 0.53 C ATOM 787 C VAL A 69 -8.035 8.951 17.281 1.00 0.51 C ATOM 788 O VAL A 69 -6.927 9.236 17.736 1.00 0.59 O ATOM 789 CB VAL A 69 -8.524 11.164 16.232 1.00 0.57 C ATOM 790 CG1 VAL A 69 -8.156 10.656 14.845 1.00 0.60 C ATOM 791 CG2 VAL A 69 -9.513 12.320 16.142 1.00 0.63 C ATOM 0 H VAL A 69 -8.898 11.179 18.833 1.00 0.56 H new ATOM 0 HA VAL A 69 -9.969 9.619 16.586 1.00 0.53 H new ATOM 0 HB VAL A 69 -7.615 11.531 16.708 1.00 0.57 H new ATOM 0 HG11 VAL A 69 -7.754 11.477 14.252 1.00 0.60 H new ATOM 0 HG12 VAL A 69 -7.406 9.870 14.933 1.00 0.60 H new ATOM 0 HG13 VAL A 69 -9.045 10.256 14.356 1.00 0.60 H new ATOM 0 HG21 VAL A 69 -9.090 13.114 15.526 1.00 0.63 H new ATOM 0 HG22 VAL A 69 -10.443 11.969 15.694 1.00 0.63 H new ATOM 0 HG23 VAL A 69 -9.715 12.705 17.142 1.00 0.63 H new ATOM 801 N GLU A 70 -8.372 7.722 16.928 1.00 0.49 N ATOM 802 CA GLU A 70 -7.441 6.611 17.082 1.00 0.51 C ATOM 803 C GLU A 70 -6.582 6.425 15.835 1.00 0.50 C ATOM 804 O GLU A 70 -5.438 6.884 15.776 1.00 0.62 O ATOM 805 CB GLU A 70 -8.198 5.319 17.386 1.00 0.55 C ATOM 806 CG GLU A 70 -9.081 5.401 18.621 1.00 0.81 C ATOM 807 CD GLU A 70 -9.551 4.039 19.093 1.00 0.68 C ATOM 808 OE1 GLU A 70 -9.530 3.077 18.294 1.00 0.69 O ATOM 809 OE2 GLU A 70 -9.937 3.921 20.275 1.00 0.71 O ATOM 0 H GLU A 70 -9.278 7.466 16.535 1.00 0.49 H new ATOM 0 HA GLU A 70 -6.782 6.848 17.917 1.00 0.51 H new ATOM 0 HB2 GLU A 70 -8.815 5.060 16.526 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -7.479 4.510 17.518 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -8.531 5.890 19.425 1.00 0.81 H new ATOM 0 HG3 GLU A 70 -9.948 6.025 18.403 1.00 0.81 H new ATOM 816 N ASP A 71 -7.141 5.750 14.846 1.00 0.47 N ATOM 817 CA ASP A 71 -6.441 5.478 13.599 1.00 0.46 C ATOM 818 C ASP A 71 -6.105 6.773 12.867 1.00 0.43 C ATOM 819 O ASP A 71 -6.961 7.641 12.698 1.00 0.46 O ATOM 820 CB ASP A 71 -7.293 4.571 12.708 1.00 0.51 C ATOM 821 CG ASP A 71 -7.637 3.257 13.385 1.00 0.57 C ATOM 822 OD1 ASP A 71 -8.488 3.255 14.300 1.00 0.61 O ATOM 823 OD2 ASP A 71 -7.052 2.218 13.011 1.00 0.73 O ATOM 0 H ASP A 71 -8.089 5.376 14.882 1.00 0.47 H new ATOM 0 HA ASP A 71 -5.506 4.970 13.834 1.00 0.46 H new ATOM 0 HB2 ASP A 71 -8.213 5.090 12.439 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -6.757 4.370 11.780 1.00 0.51 H new ATOM 828 N ASP A 72 -4.851 6.894 12.450 1.00 0.43 N ATOM 829 CA ASP A 72 -4.365 8.071 11.738 1.00 0.42 C ATOM 830 C ASP A 72 -3.278 7.658 10.749 1.00 0.42 C ATOM 831 O ASP A 72 -2.189 7.237 11.149 1.00 0.52 O ATOM 832 CB ASP A 72 -3.826 9.104 12.741 1.00 0.48 C ATOM 833 CG ASP A 72 -2.848 10.095 12.132 1.00 0.59 C ATOM 834 OD1 ASP A 72 -3.291 11.044 11.452 1.00 0.99 O ATOM 835 OD2 ASP A 72 -1.626 9.945 12.354 1.00 1.05 O ATOM 0 H ASP A 72 -4.140 6.177 12.596 1.00 0.43 H new ATOM 0 HA ASP A 72 -5.186 8.527 11.184 1.00 0.42 H new ATOM 0 HB2 ASP A 72 -4.665 9.652 13.170 1.00 0.48 H new ATOM 0 HB3 ASP A 72 -3.335 8.579 13.561 1.00 0.48 H new ATOM 840 N LEU A 73 -3.590 7.739 9.462 1.00 0.36 N ATOM 841 CA LEU A 73 -2.639 7.364 8.420 1.00 0.38 C ATOM 842 C LEU A 73 -2.655 8.359 7.262 1.00 0.34 C ATOM 843 O LEU A 73 -3.703 8.891 6.898 1.00 0.42 O ATOM 844 CB LEU A 73 -2.953 5.962 7.890 1.00 0.44 C ATOM 845 CG LEU A 73 -2.767 4.823 8.895 1.00 0.66 C ATOM 846 CD1 LEU A 73 -3.372 3.538 8.357 1.00 0.93 C ATOM 847 CD2 LEU A 73 -1.293 4.623 9.213 1.00 0.92 C ATOM 0 H LEU A 73 -4.493 8.061 9.113 1.00 0.36 H new ATOM 0 HA LEU A 73 -1.645 7.372 8.868 1.00 0.38 H new ATOM 0 HB2 LEU A 73 -3.984 5.948 7.538 1.00 0.44 H new ATOM 0 HB3 LEU A 73 -2.318 5.768 7.025 1.00 0.44 H new ATOM 0 HG LEU A 73 -3.283 5.091 9.817 1.00 0.66 H new ATOM 0 HD11 LEU A 73 -3.231 2.738 9.083 1.00 0.93 H new ATOM 0 HD12 LEU A 73 -4.438 3.684 8.180 1.00 0.93 H new ATOM 0 HD13 LEU A 73 -2.882 3.269 7.421 1.00 0.93 H new ATOM 0 HD21 LEU A 73 -1.183 3.809 9.929 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -0.754 4.377 8.298 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -0.885 5.539 9.640 1.00 0.92 H new ATOM 859 N ILE A 74 -1.484 8.587 6.684 1.00 0.29 N ATOM 860 CA ILE A 74 -1.339 9.505 5.565 1.00 0.28 C ATOM 861 C ILE A 74 -1.562 8.766 4.244 1.00 0.30 C ATOM 862 O ILE A 74 -0.885 7.781 3.950 1.00 0.51 O ATOM 863 CB ILE A 74 0.056 10.162 5.576 1.00 0.30 C ATOM 864 CG1 ILE A 74 0.286 10.879 6.911 1.00 0.43 C ATOM 865 CG2 ILE A 74 0.191 11.138 4.420 1.00 0.33 C ATOM 866 CD1 ILE A 74 1.693 11.408 7.089 1.00 0.59 C ATOM 0 H ILE A 74 -0.613 8.143 6.976 1.00 0.29 H new ATOM 0 HA ILE A 74 -2.090 10.289 5.664 1.00 0.28 H new ATOM 0 HB ILE A 74 0.812 9.385 5.459 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -0.416 11.708 6.992 1.00 0.43 H new ATOM 0 HG13 ILE A 74 0.062 10.190 7.725 1.00 0.43 H new ATOM 0 HG21 ILE A 74 1.181 11.593 4.442 1.00 0.33 H new ATOM 0 HG22 ILE A 74 0.057 10.607 3.478 1.00 0.33 H new ATOM 0 HG23 ILE A 74 -0.568 11.915 4.510 1.00 0.33 H new ATOM 0 HD11 ILE A 74 1.776 11.902 8.057 1.00 0.59 H new ATOM 0 HD12 ILE A 74 2.401 10.581 7.041 1.00 0.59 H new ATOM 0 HD13 ILE A 74 1.916 12.123 6.297 1.00 0.59 H new ATOM 878 N ILE A 75 -2.506 9.251 3.453 1.00 0.24 N ATOM 879 CA ILE A 75 -2.854 8.619 2.184 1.00 0.23 C ATOM 880 C ILE A 75 -2.138 9.268 0.999 1.00 0.24 C ATOM 881 O ILE A 75 -1.877 10.473 0.996 1.00 0.26 O ATOM 882 CB ILE A 75 -4.381 8.682 1.954 1.00 0.27 C ATOM 883 CG1 ILE A 75 -5.128 8.091 3.154 1.00 0.28 C ATOM 884 CG2 ILE A 75 -4.767 7.955 0.680 1.00 0.32 C ATOM 885 CD1 ILE A 75 -4.827 6.627 3.409 1.00 0.31 C ATOM 0 H ILE A 75 -3.050 10.087 3.667 1.00 0.24 H new ATOM 0 HA ILE A 75 -2.529 7.581 2.247 1.00 0.23 H new ATOM 0 HB ILE A 75 -4.665 9.729 1.848 1.00 0.27 H new ATOM 0 HG12 ILE A 75 -4.873 8.664 4.045 1.00 0.28 H new ATOM 0 HG13 ILE A 75 -6.200 8.208 2.995 1.00 0.28 H new ATOM 0 HG21 ILE A 75 -5.846 8.014 0.540 1.00 0.32 H new ATOM 0 HG22 ILE A 75 -4.266 8.419 -0.170 1.00 0.32 H new ATOM 0 HG23 ILE A 75 -4.467 6.910 0.752 1.00 0.32 H new ATOM 0 HD11 ILE A 75 -5.394 6.284 4.274 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -5.109 6.040 2.535 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -3.761 6.503 3.601 1.00 0.31 H new ATOM 897 N PHE A 76 -1.821 8.447 -0.002 1.00 0.27 N ATOM 898 CA PHE A 76 -1.150 8.903 -1.214 1.00 0.31 C ATOM 899 C PHE A 76 -1.751 8.212 -2.439 1.00 0.32 C ATOM 900 O PHE A 76 -2.300 7.114 -2.325 1.00 0.35 O ATOM 901 CB PHE A 76 0.350 8.600 -1.156 1.00 0.34 C ATOM 902 CG PHE A 76 1.097 9.418 -0.149 1.00 0.39 C ATOM 903 CD1 PHE A 76 1.482 10.715 -0.439 1.00 0.50 C ATOM 904 CD2 PHE A 76 1.414 8.889 1.087 1.00 0.40 C ATOM 905 CE1 PHE A 76 2.171 11.470 0.488 1.00 0.58 C ATOM 906 CE2 PHE A 76 2.103 9.635 2.020 1.00 0.50 C ATOM 907 CZ PHE A 76 2.483 10.929 1.721 1.00 0.58 C ATOM 0 H PHE A 76 -2.023 7.447 0.007 1.00 0.27 H new ATOM 0 HA PHE A 76 -1.292 9.981 -1.290 1.00 0.31 H new ATOM 0 HB2 PHE A 76 0.488 7.544 -0.926 1.00 0.34 H new ATOM 0 HB3 PHE A 76 0.783 8.771 -2.141 1.00 0.34 H new ATOM 0 HD1 PHE A 76 1.241 11.141 -1.402 1.00 0.50 H new ATOM 0 HD2 PHE A 76 1.118 7.878 1.326 1.00 0.40 H new ATOM 0 HE1 PHE A 76 2.466 12.481 0.251 1.00 0.58 H new ATOM 0 HE2 PHE A 76 2.345 9.209 2.982 1.00 0.50 H new ATOM 0 HZ PHE A 76 3.023 11.517 2.449 1.00 0.58 H new ATOM 917 N PRO A 77 -1.662 8.840 -3.625 1.00 0.36 N ATOM 918 CA PRO A 77 -2.190 8.268 -4.867 1.00 0.38 C ATOM 919 C PRO A 77 -1.346 7.096 -5.367 1.00 0.33 C ATOM 920 O PRO A 77 -0.324 6.760 -4.763 1.00 0.33 O ATOM 921 CB PRO A 77 -2.129 9.430 -5.872 1.00 0.45 C ATOM 922 CG PRO A 77 -1.784 10.643 -5.080 1.00 0.55 C ATOM 923 CD PRO A 77 -1.060 10.160 -3.856 1.00 0.44 C ATOM 0 HA PRO A 77 -3.194 7.868 -4.726 1.00 0.38 H new ATOM 0 HB2 PRO A 77 -1.380 9.241 -6.641 1.00 0.45 H new ATOM 0 HB3 PRO A 77 -3.085 9.556 -6.381 1.00 0.45 H new ATOM 0 HG2 PRO A 77 -1.157 11.320 -5.660 1.00 0.55 H new ATOM 0 HG3 PRO A 77 -2.682 11.196 -4.807 1.00 0.55 H new ATOM 0 HD2 PRO A 77 0.015 10.091 -4.022 1.00 0.44 H new ATOM 0 HD3 PRO A 77 -1.209 10.827 -3.007 1.00 0.44 H new ATOM 931 N ASP A 78 -1.778 6.491 -6.481 1.00 0.40 N ATOM 932 CA ASP A 78 -1.092 5.339 -7.102 1.00 0.46 C ATOM 933 C ASP A 78 -0.798 4.242 -6.078 1.00 0.45 C ATOM 934 O ASP A 78 0.169 3.487 -6.228 1.00 0.60 O ATOM 935 CB ASP A 78 0.230 5.726 -7.825 1.00 0.53 C ATOM 936 CG ASP A 78 0.549 7.210 -7.824 1.00 0.98 C ATOM 937 OD1 ASP A 78 -0.114 7.972 -8.557 1.00 1.34 O ATOM 938 OD2 ASP A 78 1.498 7.619 -7.115 1.00 1.36 O ATOM 0 H ASP A 78 -2.616 6.784 -6.983 1.00 0.40 H new ATOM 0 HA ASP A 78 -1.787 4.965 -7.854 1.00 0.46 H new ATOM 0 HB2 ASP A 78 1.055 5.192 -7.353 1.00 0.53 H new ATOM 0 HB3 ASP A 78 0.176 5.382 -8.858 1.00 0.53 H new ATOM 943 N ASP A 79 -1.628 4.135 -5.041 1.00 0.53 N ATOM 944 CA ASP A 79 -1.404 3.125 -4.012 1.00 0.61 C ATOM 945 C ASP A 79 -2.689 2.735 -3.282 1.00 0.59 C ATOM 946 O ASP A 79 -3.216 1.638 -3.482 1.00 1.11 O ATOM 947 CB ASP A 79 -0.376 3.629 -2.995 1.00 0.80 C ATOM 948 CG ASP A 79 0.580 2.542 -2.556 1.00 1.12 C ATOM 949 OD1 ASP A 79 0.272 1.827 -1.581 1.00 1.44 O ATOM 950 OD2 ASP A 79 1.654 2.401 -3.187 1.00 1.74 O ATOM 0 H ASP A 79 -2.447 4.725 -4.893 1.00 0.53 H new ATOM 0 HA ASP A 79 -1.029 2.236 -4.519 1.00 0.61 H new ATOM 0 HB2 ASP A 79 0.190 4.452 -3.431 1.00 0.80 H new ATOM 0 HB3 ASP A 79 -0.896 4.026 -2.123 1.00 0.80 H new ATOM 955 N CYS A 80 -3.180 3.639 -2.441 1.00 0.50 N ATOM 956 CA CYS A 80 -4.382 3.396 -1.644 1.00 0.46 C ATOM 957 C CYS A 80 -5.604 3.117 -2.516 1.00 0.43 C ATOM 958 O CYS A 80 -5.823 3.775 -3.537 1.00 0.60 O ATOM 959 CB CYS A 80 -4.635 4.589 -0.727 1.00 0.63 C ATOM 960 SG CYS A 80 -3.190 5.062 0.256 1.00 0.90 S ATOM 0 H CYS A 80 -2.760 4.557 -2.291 1.00 0.50 H new ATOM 0 HA CYS A 80 -4.214 2.503 -1.043 1.00 0.46 H new ATOM 0 HB2 CYS A 80 -4.949 5.441 -1.330 1.00 0.63 H new ATOM 0 HB3 CYS A 80 -5.460 4.353 -0.055 1.00 0.63 H new ATOM 0 HG CYS A 80 -2.964 4.155 1.159 1.00 0.90 H new ATOM 966 N GLU A 81 -6.391 2.130 -2.104 1.00 0.34 N ATOM 967 CA GLU A 81 -7.585 1.735 -2.831 1.00 0.39 C ATOM 968 C GLU A 81 -8.666 1.234 -1.868 1.00 0.36 C ATOM 969 O GLU A 81 -8.418 0.350 -1.049 1.00 0.45 O ATOM 970 CB GLU A 81 -7.221 0.639 -3.831 1.00 0.49 C ATOM 971 CG GLU A 81 -8.286 0.375 -4.876 1.00 0.74 C ATOM 972 CD GLU A 81 -8.025 -0.897 -5.650 1.00 0.94 C ATOM 973 OE1 GLU A 81 -6.865 -1.363 -5.667 1.00 1.32 O ATOM 974 OE2 GLU A 81 -8.984 -1.454 -6.227 1.00 1.15 O ATOM 0 H GLU A 81 -6.218 1.585 -1.260 1.00 0.34 H new ATOM 0 HA GLU A 81 -7.982 2.600 -3.362 1.00 0.39 H new ATOM 0 HB2 GLU A 81 -6.294 0.915 -4.334 1.00 0.49 H new ATOM 0 HB3 GLU A 81 -7.025 -0.284 -3.286 1.00 0.49 H new ATOM 0 HG2 GLU A 81 -9.260 0.310 -4.391 1.00 0.74 H new ATOM 0 HG3 GLU A 81 -8.330 1.216 -5.568 1.00 0.74 H new ATOM 981 N PHE A 82 -9.859 1.802 -1.969 1.00 0.34 N ATOM 982 CA PHE A 82 -10.974 1.414 -1.114 1.00 0.32 C ATOM 983 C PHE A 82 -11.908 0.475 -1.873 1.00 0.33 C ATOM 984 O PHE A 82 -12.410 0.819 -2.944 1.00 0.42 O ATOM 985 CB PHE A 82 -11.734 2.664 -0.652 1.00 0.35 C ATOM 986 CG PHE A 82 -12.526 2.475 0.613 1.00 0.34 C ATOM 987 CD1 PHE A 82 -11.903 2.081 1.785 1.00 0.43 C ATOM 988 CD2 PHE A 82 -13.893 2.705 0.632 1.00 0.44 C ATOM 989 CE1 PHE A 82 -12.625 1.919 2.952 1.00 0.48 C ATOM 990 CE2 PHE A 82 -14.621 2.544 1.795 1.00 0.47 C ATOM 991 CZ PHE A 82 -13.985 2.150 2.957 1.00 0.43 C ATOM 0 H PHE A 82 -10.081 2.538 -2.639 1.00 0.34 H new ATOM 0 HA PHE A 82 -10.590 0.892 -0.237 1.00 0.32 H new ATOM 0 HB2 PHE A 82 -11.020 3.474 -0.502 1.00 0.35 H new ATOM 0 HB3 PHE A 82 -12.411 2.978 -1.447 1.00 0.35 H new ATOM 0 HD1 PHE A 82 -10.839 1.898 1.787 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -14.395 3.014 -0.273 1.00 0.44 H new ATOM 0 HE1 PHE A 82 -12.125 1.612 3.859 1.00 0.48 H new ATOM 0 HE2 PHE A 82 -15.686 2.726 1.796 1.00 0.47 H new ATOM 0 HZ PHE A 82 -14.552 2.023 3.868 1.00 0.43 H new ATOM 1001 N LYS A 83 -12.131 -0.713 -1.330 1.00 0.34 N ATOM 1002 CA LYS A 83 -12.999 -1.690 -1.976 1.00 0.38 C ATOM 1003 C LYS A 83 -14.029 -2.233 -0.998 1.00 0.37 C ATOM 1004 O LYS A 83 -14.012 -1.899 0.184 1.00 0.38 O ATOM 1005 CB LYS A 83 -12.192 -2.868 -2.533 1.00 0.46 C ATOM 1006 CG LYS A 83 -10.742 -2.550 -2.857 1.00 0.53 C ATOM 1007 CD LYS A 83 -9.867 -3.784 -2.685 1.00 0.69 C ATOM 1008 CE LYS A 83 -8.502 -3.611 -3.327 1.00 1.06 C ATOM 1009 NZ LYS A 83 -8.557 -3.776 -4.804 1.00 1.44 N ATOM 0 H LYS A 83 -11.725 -1.024 -0.447 1.00 0.34 H new ATOM 0 HA LYS A 83 -13.502 -1.175 -2.794 1.00 0.38 H new ATOM 0 HB2 LYS A 83 -12.218 -3.683 -1.809 1.00 0.46 H new ATOM 0 HB3 LYS A 83 -12.681 -3.230 -3.438 1.00 0.46 H new ATOM 0 HG2 LYS A 83 -10.665 -2.184 -3.881 1.00 0.53 H new ATOM 0 HG3 LYS A 83 -10.386 -1.752 -2.206 1.00 0.53 H new ATOM 0 HD2 LYS A 83 -9.743 -3.995 -1.623 1.00 0.69 H new ATOM 0 HD3 LYS A 83 -10.367 -4.647 -3.125 1.00 0.69 H new ATOM 0 HE2 LYS A 83 -8.111 -2.622 -3.087 1.00 1.06 H new ATOM 0 HE3 LYS A 83 -7.808 -4.339 -2.906 1.00 1.06 H new ATOM 0 HZ1 LYS A 83 -7.592 -3.752 -5.192 1.00 1.44 H new ATOM 0 HZ2 LYS A 83 -9.000 -4.688 -5.035 1.00 1.44 H new ATOM 0 HZ3 LYS A 83 -9.117 -3.004 -5.219 1.00 1.44 H new ATOM 1023 N ARG A 84 -14.923 -3.066 -1.506 1.00 0.42 N ATOM 1024 CA ARG A 84 -15.950 -3.691 -0.691 1.00 0.43 C ATOM 1025 C ARG A 84 -15.775 -5.203 -0.740 1.00 0.44 C ATOM 1026 O ARG A 84 -15.364 -5.746 -1.765 1.00 0.49 O ATOM 1027 CB ARG A 84 -17.348 -3.312 -1.191 1.00 0.47 C ATOM 1028 CG ARG A 84 -18.469 -3.790 -0.278 1.00 0.57 C ATOM 1029 CD ARG A 84 -19.833 -3.636 -0.933 1.00 0.61 C ATOM 1030 NE ARG A 84 -20.005 -4.560 -2.058 1.00 0.71 N ATOM 1031 CZ ARG A 84 -21.045 -5.386 -2.203 1.00 0.78 C ATOM 1032 NH1 ARG A 84 -22.017 -5.414 -1.300 1.00 0.88 N ATOM 1033 NH2 ARG A 84 -21.106 -6.192 -3.253 1.00 0.96 N ATOM 0 H ARG A 84 -14.957 -3.327 -2.492 1.00 0.42 H new ATOM 0 HA ARG A 84 -15.849 -3.339 0.336 1.00 0.43 H new ATOM 0 HB2 ARG A 84 -17.408 -2.228 -1.291 1.00 0.47 H new ATOM 0 HB3 ARG A 84 -17.496 -3.732 -2.186 1.00 0.47 H new ATOM 0 HG2 ARG A 84 -18.306 -4.836 -0.019 1.00 0.57 H new ATOM 0 HG3 ARG A 84 -18.446 -3.224 0.653 1.00 0.57 H new ATOM 0 HD2 ARG A 84 -20.613 -3.815 -0.193 1.00 0.61 H new ATOM 0 HD3 ARG A 84 -19.954 -2.611 -1.283 1.00 0.61 H new ATOM 0 HE ARG A 84 -19.283 -4.573 -2.778 1.00 0.71 H new ATOM 0 HH11 ARG A 84 -21.974 -4.801 -0.486 1.00 0.88 H new ATOM 0 HH12 ARG A 84 -22.807 -6.048 -1.420 1.00 0.88 H new ATOM 0 HH21 ARG A 84 -20.360 -6.181 -3.948 1.00 0.96 H new ATOM 0 HH22 ARG A 84 -21.899 -6.823 -3.366 1.00 0.96 H new ATOM 1047 N VAL A 85 -16.053 -5.879 0.364 1.00 0.45 N ATOM 1048 CA VAL A 85 -15.927 -7.328 0.421 1.00 0.49 C ATOM 1049 C VAL A 85 -17.236 -7.989 -0.008 1.00 0.55 C ATOM 1050 O VAL A 85 -18.229 -7.947 0.719 1.00 0.59 O ATOM 1051 CB VAL A 85 -15.555 -7.816 1.836 1.00 0.52 C ATOM 1052 CG1 VAL A 85 -15.172 -9.286 1.813 1.00 0.61 C ATOM 1053 CG2 VAL A 85 -14.429 -6.973 2.420 1.00 0.50 C ATOM 0 H VAL A 85 -16.368 -5.448 1.233 1.00 0.45 H new ATOM 0 HA VAL A 85 -15.125 -7.609 -0.261 1.00 0.49 H new ATOM 0 HB VAL A 85 -16.430 -7.702 2.476 1.00 0.52 H new ATOM 0 HG11 VAL A 85 -14.913 -9.610 2.821 1.00 0.61 H new ATOM 0 HG12 VAL A 85 -16.013 -9.875 1.447 1.00 0.61 H new ATOM 0 HG13 VAL A 85 -14.315 -9.428 1.155 1.00 0.61 H new ATOM 0 HG21 VAL A 85 -14.183 -7.335 3.418 1.00 0.50 H new ATOM 0 HG22 VAL A 85 -13.550 -7.047 1.780 1.00 0.50 H new ATOM 0 HG23 VAL A 85 -14.747 -5.932 2.480 1.00 0.50 H new ATOM 1063 N PRO A 86 -17.252 -8.610 -1.198 1.00 0.61 N ATOM 1064 CA PRO A 86 -18.446 -9.264 -1.731 1.00 0.69 C ATOM 1065 C PRO A 86 -18.602 -10.695 -1.231 1.00 0.68 C ATOM 1066 O PRO A 86 -19.517 -11.407 -1.635 1.00 0.77 O ATOM 1067 CB PRO A 86 -18.186 -9.251 -3.233 1.00 0.81 C ATOM 1068 CG PRO A 86 -16.702 -9.334 -3.375 1.00 0.80 C ATOM 1069 CD PRO A 86 -16.106 -8.728 -2.125 1.00 0.64 C ATOM 0 HA PRO A 86 -19.365 -8.762 -1.427 1.00 0.69 H new ATOM 0 HB2 PRO A 86 -18.676 -10.091 -3.725 1.00 0.81 H new ATOM 0 HB3 PRO A 86 -18.575 -8.342 -3.692 1.00 0.81 H new ATOM 0 HG2 PRO A 86 -16.383 -10.370 -3.492 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -16.368 -8.795 -4.262 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -15.322 -9.361 -1.710 1.00 0.64 H new ATOM 0 HD3 PRO A 86 -15.657 -7.756 -2.329 1.00 0.64 H new ATOM 1077 N GLN A 87 -17.703 -11.105 -0.347 1.00 0.67 N ATOM 1078 CA GLN A 87 -17.737 -12.451 0.206 1.00 0.70 C ATOM 1079 C GLN A 87 -18.566 -12.492 1.482 1.00 0.70 C ATOM 1080 O GLN A 87 -19.075 -13.543 1.874 1.00 1.01 O ATOM 1081 CB GLN A 87 -16.318 -12.947 0.484 1.00 0.78 C ATOM 1082 CG GLN A 87 -15.431 -12.979 -0.751 1.00 0.91 C ATOM 1083 CD GLN A 87 -16.071 -13.715 -1.913 1.00 1.00 C ATOM 1084 OE1 GLN A 87 -16.684 -13.106 -2.791 1.00 1.05 O ATOM 1085 NE2 GLN A 87 -15.935 -15.029 -1.922 1.00 1.21 N ATOM 0 H GLN A 87 -16.941 -10.524 0.003 1.00 0.67 H new ATOM 0 HA GLN A 87 -18.204 -13.108 -0.528 1.00 0.70 H new ATOM 0 HB2 GLN A 87 -15.858 -12.304 1.235 1.00 0.78 H new ATOM 0 HB3 GLN A 87 -16.369 -13.949 0.910 1.00 0.78 H new ATOM 0 HG2 GLN A 87 -15.202 -11.958 -1.055 1.00 0.91 H new ATOM 0 HG3 GLN A 87 -14.484 -13.457 -0.501 1.00 0.91 H new ATOM 0 HE21 GLN A 87 -15.419 -15.493 -1.175 1.00 1.21 H new ATOM 0 HE22 GLN A 87 -16.346 -15.579 -2.676 1.00 1.21 H new ATOM 1094 N CYS A 88 -18.704 -11.344 2.125 1.00 0.73 N ATOM 1095 CA CYS A 88 -19.474 -11.250 3.355 1.00 0.71 C ATOM 1096 C CYS A 88 -20.970 -11.272 3.050 1.00 0.71 C ATOM 1097 O CYS A 88 -21.416 -10.660 2.078 1.00 0.74 O ATOM 1098 CB CYS A 88 -19.102 -9.973 4.109 1.00 0.73 C ATOM 1099 SG CYS A 88 -17.348 -9.852 4.521 1.00 1.44 S ATOM 0 H CYS A 88 -18.293 -10.463 1.816 1.00 0.73 H new ATOM 0 HA CYS A 88 -19.239 -12.109 3.983 1.00 0.71 H new ATOM 0 HB2 CYS A 88 -19.384 -9.111 3.505 1.00 0.73 H new ATOM 0 HB3 CYS A 88 -19.686 -9.922 5.028 1.00 0.73 H new ATOM 0 HG CYS A 88 -17.217 -9.559 5.781 1.00 1.44 H new ATOM 1105 N PRO A 89 -21.762 -11.990 3.866 1.00 0.75 N ATOM 1106 CA PRO A 89 -23.212 -12.086 3.674 1.00 0.79 C ATOM 1107 C PRO A 89 -23.893 -10.723 3.725 1.00 0.74 C ATOM 1108 O PRO A 89 -24.774 -10.430 2.921 1.00 0.79 O ATOM 1109 CB PRO A 89 -23.681 -12.958 4.844 1.00 0.88 C ATOM 1110 CG PRO A 89 -22.467 -13.683 5.306 1.00 0.92 C ATOM 1111 CD PRO A 89 -21.308 -12.770 5.031 1.00 0.81 C ATOM 0 HA PRO A 89 -23.461 -12.498 2.696 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -24.103 -12.349 5.643 1.00 0.88 H new ATOM 0 HB3 PRO A 89 -24.458 -13.654 4.529 1.00 0.88 H new ATOM 0 HG2 PRO A 89 -22.534 -13.919 6.368 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -22.353 -14.629 4.776 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -21.090 -12.128 5.885 1.00 0.81 H new ATOM 0 HD3 PRO A 89 -20.398 -13.329 4.811 1.00 0.81 H new ATOM 1119 N SER A 90 -23.465 -9.886 4.665 1.00 0.71 N ATOM 1120 CA SER A 90 -24.031 -8.554 4.822 1.00 0.71 C ATOM 1121 C SER A 90 -23.734 -7.692 3.598 1.00 0.65 C ATOM 1122 O SER A 90 -24.621 -7.033 3.058 1.00 0.72 O ATOM 1123 CB SER A 90 -23.460 -7.904 6.084 1.00 0.75 C ATOM 1124 OG SER A 90 -22.078 -8.196 6.217 1.00 0.85 O ATOM 0 H SER A 90 -22.725 -10.109 5.331 1.00 0.71 H new ATOM 0 HA SER A 90 -25.113 -8.638 4.918 1.00 0.71 H new ATOM 0 HB2 SER A 90 -23.606 -6.825 6.041 1.00 0.75 H new ATOM 0 HB3 SER A 90 -23.999 -8.264 6.960 1.00 0.75 H new ATOM 0 HG SER A 90 -21.730 -7.771 7.029 1.00 0.85 H new ATOM 1130 N GLY A 91 -22.480 -7.702 3.169 1.00 0.60 N ATOM 1131 CA GLY A 91 -22.081 -6.928 2.008 1.00 0.60 C ATOM 1132 C GLY A 91 -21.877 -5.457 2.321 1.00 0.57 C ATOM 1133 O GLY A 91 -21.816 -4.629 1.415 1.00 0.64 O ATOM 0 H GLY A 91 -21.728 -8.235 3.606 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -21.157 -7.340 1.603 1.00 0.60 H new ATOM 0 HA3 GLY A 91 -22.841 -7.027 1.233 1.00 0.60 H new ATOM 1137 N ARG A 92 -21.783 -5.126 3.604 1.00 0.52 N ATOM 1138 CA ARG A 92 -21.573 -3.741 4.024 1.00 0.51 C ATOM 1139 C ARG A 92 -20.176 -3.572 4.601 1.00 0.48 C ATOM 1140 O ARG A 92 -19.870 -2.575 5.259 1.00 0.48 O ATOM 1141 CB ARG A 92 -22.617 -3.317 5.057 1.00 0.54 C ATOM 1142 CG ARG A 92 -24.017 -3.166 4.490 1.00 0.58 C ATOM 1143 CD ARG A 92 -24.880 -2.281 5.373 1.00 0.61 C ATOM 1144 NE ARG A 92 -24.732 -0.864 5.052 1.00 0.59 N ATOM 1145 CZ ARG A 92 -25.262 0.119 5.776 1.00 0.59 C ATOM 1146 NH1 ARG A 92 -25.970 -0.156 6.864 1.00 0.62 N ATOM 1147 NH2 ARG A 92 -25.105 1.379 5.404 1.00 0.60 N ATOM 0 H ARG A 92 -21.848 -5.795 4.372 1.00 0.52 H new ATOM 0 HA ARG A 92 -21.678 -3.103 3.147 1.00 0.51 H new ATOM 0 HB2 ARG A 92 -22.638 -4.053 5.861 1.00 0.54 H new ATOM 0 HB3 ARG A 92 -22.311 -2.370 5.501 1.00 0.54 H new ATOM 0 HG2 ARG A 92 -23.962 -2.740 3.488 1.00 0.58 H new ATOM 0 HG3 ARG A 92 -24.480 -4.148 4.393 1.00 0.58 H new ATOM 0 HD2 ARG A 92 -25.925 -2.569 5.261 1.00 0.61 H new ATOM 0 HD3 ARG A 92 -24.614 -2.444 6.417 1.00 0.61 H new ATOM 0 HE ARG A 92 -24.191 -0.613 4.225 1.00 0.59 H new ATOM 0 HH11 ARG A 92 -26.111 -1.125 7.150 1.00 0.62 H new ATOM 0 HH12 ARG A 92 -26.374 0.602 7.415 1.00 0.62 H new ATOM 0 HH21 ARG A 92 -24.576 1.599 4.560 1.00 0.60 H new ATOM 0 HH22 ARG A 92 -25.513 2.130 5.961 1.00 0.60 H new ATOM 1161 N VAL A 93 -19.336 -4.565 4.350 1.00 0.47 N ATOM 1162 CA VAL A 93 -17.966 -4.553 4.833 1.00 0.45 C ATOM 1163 C VAL A 93 -17.040 -4.012 3.757 1.00 0.41 C ATOM 1164 O VAL A 93 -16.916 -4.597 2.679 1.00 0.43 O ATOM 1165 CB VAL A 93 -17.498 -5.965 5.245 1.00 0.48 C ATOM 1166 CG1 VAL A 93 -16.088 -5.924 5.817 1.00 0.47 C ATOM 1167 CG2 VAL A 93 -18.465 -6.581 6.245 1.00 0.56 C ATOM 0 H VAL A 93 -19.583 -5.395 3.810 1.00 0.47 H new ATOM 0 HA VAL A 93 -17.932 -3.909 5.712 1.00 0.45 H new ATOM 0 HB VAL A 93 -17.483 -6.590 4.352 1.00 0.48 H new ATOM 0 HG11 VAL A 93 -15.781 -6.931 6.100 1.00 0.47 H new ATOM 0 HG12 VAL A 93 -15.402 -5.533 5.066 1.00 0.47 H new ATOM 0 HG13 VAL A 93 -16.070 -5.279 6.695 1.00 0.47 H new ATOM 0 HG21 VAL A 93 -18.117 -7.576 6.522 1.00 0.56 H new ATOM 0 HG22 VAL A 93 -18.517 -5.954 7.135 1.00 0.56 H new ATOM 0 HG23 VAL A 93 -19.455 -6.655 5.795 1.00 0.56 H new ATOM 1177 N TYR A 94 -16.413 -2.888 4.043 1.00 0.39 N ATOM 1178 CA TYR A 94 -15.501 -2.264 3.107 1.00 0.37 C ATOM 1179 C TYR A 94 -14.073 -2.419 3.607 1.00 0.35 C ATOM 1180 O TYR A 94 -13.846 -2.613 4.802 1.00 0.37 O ATOM 1181 CB TYR A 94 -15.864 -0.791 2.912 1.00 0.38 C ATOM 1182 CG TYR A 94 -17.097 -0.584 2.050 1.00 0.41 C ATOM 1183 CD1 TYR A 94 -18.372 -0.815 2.553 1.00 0.44 C ATOM 1184 CD2 TYR A 94 -16.980 -0.170 0.730 1.00 0.42 C ATOM 1185 CE1 TYR A 94 -19.494 -0.641 1.764 1.00 0.47 C ATOM 1186 CE2 TYR A 94 -18.097 0.009 -0.064 1.00 0.46 C ATOM 1187 CZ TYR A 94 -19.351 -0.229 0.455 1.00 0.48 C ATOM 1188 OH TYR A 94 -20.464 -0.061 -0.338 1.00 0.53 O ATOM 0 H TYR A 94 -16.520 -2.385 4.924 1.00 0.39 H new ATOM 0 HA TYR A 94 -15.583 -2.756 2.138 1.00 0.37 H new ATOM 0 HB2 TYR A 94 -16.030 -0.333 3.887 1.00 0.38 H new ATOM 0 HB3 TYR A 94 -15.020 -0.273 2.456 1.00 0.38 H new ATOM 0 HD1 TYR A 94 -18.488 -1.136 3.578 1.00 0.44 H new ATOM 0 HD2 TYR A 94 -16.000 0.015 0.317 1.00 0.42 H new ATOM 0 HE1 TYR A 94 -20.477 -0.827 2.170 1.00 0.47 H new ATOM 0 HE2 TYR A 94 -17.987 0.334 -1.088 1.00 0.46 H new ATOM 0 HH TYR A 94 -20.214 -0.168 -1.280 1.00 0.53 H new ATOM 1198 N VAL A 95 -13.113 -2.335 2.704 1.00 0.34 N ATOM 1199 CA VAL A 95 -11.719 -2.499 3.076 1.00 0.33 C ATOM 1200 C VAL A 95 -10.814 -1.496 2.364 1.00 0.31 C ATOM 1201 O VAL A 95 -10.924 -1.277 1.155 1.00 0.31 O ATOM 1202 CB VAL A 95 -11.238 -3.943 2.788 1.00 0.36 C ATOM 1203 CG1 VAL A 95 -11.442 -4.309 1.325 1.00 0.38 C ATOM 1204 CG2 VAL A 95 -9.777 -4.124 3.190 1.00 0.38 C ATOM 0 H VAL A 95 -13.271 -2.155 1.713 1.00 0.34 H new ATOM 0 HA VAL A 95 -11.652 -2.307 4.147 1.00 0.33 H new ATOM 0 HB VAL A 95 -11.843 -4.619 3.392 1.00 0.36 H new ATOM 0 HG11 VAL A 95 -11.095 -5.328 1.153 1.00 0.38 H new ATOM 0 HG12 VAL A 95 -12.501 -4.239 1.077 1.00 0.38 H new ATOM 0 HG13 VAL A 95 -10.876 -3.622 0.696 1.00 0.38 H new ATOM 0 HG21 VAL A 95 -9.465 -5.146 2.977 1.00 0.38 H new ATOM 0 HG22 VAL A 95 -9.155 -3.430 2.625 1.00 0.38 H new ATOM 0 HG23 VAL A 95 -9.666 -3.925 4.256 1.00 0.38 H new ATOM 1214 N LEU A 96 -9.940 -0.876 3.141 1.00 0.31 N ATOM 1215 CA LEU A 96 -8.975 0.075 2.624 1.00 0.30 C ATOM 1216 C LEU A 96 -7.651 -0.651 2.443 1.00 0.30 C ATOM 1217 O LEU A 96 -6.909 -0.867 3.407 1.00 0.38 O ATOM 1218 CB LEU A 96 -8.812 1.264 3.577 1.00 0.34 C ATOM 1219 CG LEU A 96 -7.832 2.347 3.115 1.00 0.37 C ATOM 1220 CD1 LEU A 96 -8.333 3.019 1.846 1.00 0.43 C ATOM 1221 CD2 LEU A 96 -7.619 3.374 4.219 1.00 0.44 C ATOM 0 H LEU A 96 -9.882 -1.020 4.149 1.00 0.31 H new ATOM 0 HA LEU A 96 -9.321 0.472 1.670 1.00 0.30 H new ATOM 0 HB2 LEU A 96 -9.789 1.723 3.729 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -8.482 0.889 4.546 1.00 0.34 H new ATOM 0 HG LEU A 96 -6.875 1.875 2.893 1.00 0.37 H new ATOM 0 HD11 LEU A 96 -7.622 3.785 1.535 1.00 0.43 H new ATOM 0 HD12 LEU A 96 -8.434 2.275 1.056 1.00 0.43 H new ATOM 0 HD13 LEU A 96 -9.302 3.479 2.037 1.00 0.43 H new ATOM 0 HD21 LEU A 96 -6.920 4.137 3.876 1.00 0.44 H new ATOM 0 HD22 LEU A 96 -8.571 3.841 4.471 1.00 0.44 H new ATOM 0 HD23 LEU A 96 -7.213 2.880 5.102 1.00 0.44 H new ATOM 1233 N LYS A 97 -7.379 -1.063 1.219 1.00 0.29 N ATOM 1234 CA LYS A 97 -6.166 -1.802 0.923 1.00 0.33 C ATOM 1235 C LYS A 97 -5.114 -0.915 0.283 1.00 0.26 C ATOM 1236 O LYS A 97 -5.412 -0.099 -0.589 1.00 0.32 O ATOM 1237 CB LYS A 97 -6.476 -2.979 -0.002 1.00 0.45 C ATOM 1238 CG LYS A 97 -5.295 -3.912 -0.211 1.00 0.51 C ATOM 1239 CD LYS A 97 -5.496 -4.812 -1.421 1.00 0.74 C ATOM 1240 CE LYS A 97 -4.243 -5.608 -1.737 1.00 0.80 C ATOM 1241 NZ LYS A 97 -3.099 -4.727 -2.085 1.00 0.89 N ATOM 0 H LYS A 97 -7.982 -0.898 0.413 1.00 0.29 H new ATOM 0 HA LYS A 97 -5.769 -2.174 1.868 1.00 0.33 H new ATOM 0 HB2 LYS A 97 -7.309 -3.547 0.412 1.00 0.45 H new ATOM 0 HB3 LYS A 97 -6.801 -2.595 -0.969 1.00 0.45 H new ATOM 0 HG2 LYS A 97 -4.386 -3.325 -0.341 1.00 0.51 H new ATOM 0 HG3 LYS A 97 -5.154 -4.525 0.679 1.00 0.51 H new ATOM 0 HD2 LYS A 97 -6.325 -5.495 -1.234 1.00 0.74 H new ATOM 0 HD3 LYS A 97 -5.771 -4.206 -2.285 1.00 0.74 H new ATOM 0 HE2 LYS A 97 -3.978 -6.224 -0.878 1.00 0.80 H new ATOM 0 HE3 LYS A 97 -4.444 -6.287 -2.566 1.00 0.80 H new ATOM 0 HZ1 LYS A 97 -2.278 -5.310 -2.343 1.00 0.89 H new ATOM 0 HZ2 LYS A 97 -3.360 -4.121 -2.889 1.00 0.89 H new ATOM 0 HZ3 LYS A 97 -2.858 -4.132 -1.267 1.00 0.89 H new ATOM 1255 N PHE A 98 -3.885 -1.076 0.733 1.00 0.29 N ATOM 1256 CA PHE A 98 -2.773 -0.326 0.193 1.00 0.30 C ATOM 1257 C PHE A 98 -2.106 -1.154 -0.898 1.00 0.33 C ATOM 1258 O PHE A 98 -2.316 -2.366 -0.974 1.00 0.45 O ATOM 1259 CB PHE A 98 -1.776 0.020 1.298 1.00 0.39 C ATOM 1260 CG PHE A 98 -2.306 1.002 2.306 1.00 0.44 C ATOM 1261 CD1 PHE A 98 -3.141 0.584 3.330 1.00 0.61 C ATOM 1262 CD2 PHE A 98 -1.966 2.341 2.230 1.00 0.57 C ATOM 1263 CE1 PHE A 98 -3.628 1.485 4.258 1.00 0.76 C ATOM 1264 CE2 PHE A 98 -2.449 3.248 3.156 1.00 0.72 C ATOM 1265 CZ PHE A 98 -3.280 2.818 4.170 1.00 0.77 C ATOM 0 H PHE A 98 -3.632 -1.726 1.478 1.00 0.29 H new ATOM 0 HA PHE A 98 -3.133 0.610 -0.233 1.00 0.30 H new ATOM 0 HB2 PHE A 98 -1.487 -0.896 1.814 1.00 0.39 H new ATOM 0 HB3 PHE A 98 -0.873 0.430 0.845 1.00 0.39 H new ATOM 0 HD1 PHE A 98 -3.414 -0.458 3.404 1.00 0.61 H new ATOM 0 HD2 PHE A 98 -1.316 2.682 1.438 1.00 0.57 H new ATOM 0 HE1 PHE A 98 -4.279 1.147 5.050 1.00 0.76 H new ATOM 0 HE2 PHE A 98 -2.176 4.291 3.085 1.00 0.72 H new ATOM 0 HZ PHE A 98 -3.658 3.524 4.895 1.00 0.77 H new ATOM 1275 N LYS A 99 -1.311 -0.514 -1.738 1.00 0.40 N ATOM 1276 CA LYS A 99 -0.637 -1.220 -2.819 1.00 0.48 C ATOM 1277 C LYS A 99 0.780 -1.591 -2.401 1.00 0.54 C ATOM 1278 O LYS A 99 1.255 -2.693 -2.685 1.00 0.82 O ATOM 1279 CB LYS A 99 -0.619 -0.356 -4.082 1.00 0.54 C ATOM 1280 CG LYS A 99 -0.860 -1.131 -5.369 1.00 0.70 C ATOM 1281 CD LYS A 99 -2.014 -0.537 -6.169 1.00 0.73 C ATOM 1282 CE LYS A 99 -3.365 -0.853 -5.536 1.00 0.91 C ATOM 1283 NZ LYS A 99 -4.496 -0.263 -6.306 1.00 1.11 N ATOM 0 H LYS A 99 -1.116 0.486 -1.695 1.00 0.40 H new ATOM 0 HA LYS A 99 -1.183 -2.138 -3.037 1.00 0.48 H new ATOM 0 HB2 LYS A 99 -1.380 0.419 -3.990 1.00 0.54 H new ATOM 0 HB3 LYS A 99 0.344 0.149 -4.150 1.00 0.54 H new ATOM 0 HG2 LYS A 99 0.046 -1.124 -5.975 1.00 0.70 H new ATOM 0 HG3 LYS A 99 -1.077 -2.173 -5.133 1.00 0.70 H new ATOM 0 HD2 LYS A 99 -1.889 0.544 -6.239 1.00 0.73 H new ATOM 0 HD3 LYS A 99 -1.989 -0.927 -7.187 1.00 0.73 H new ATOM 0 HE2 LYS A 99 -3.493 -1.934 -5.476 1.00 0.91 H new ATOM 0 HE3 LYS A 99 -3.384 -0.472 -4.515 1.00 0.91 H new ATOM 0 HZ1 LYS A 99 -5.395 -0.502 -5.841 1.00 1.11 H new ATOM 0 HZ2 LYS A 99 -4.389 0.771 -6.342 1.00 1.11 H new ATOM 0 HZ3 LYS A 99 -4.494 -0.645 -7.273 1.00 1.11 H new ATOM 1297 N ALA A 100 1.448 -0.670 -1.722 1.00 0.55 N ATOM 1298 CA ALA A 100 2.802 -0.901 -1.247 1.00 0.63 C ATOM 1299 C ALA A 100 2.774 -1.515 0.146 1.00 0.62 C ATOM 1300 O ALA A 100 2.832 -0.808 1.152 1.00 1.36 O ATOM 1301 CB ALA A 100 3.597 0.396 -1.241 1.00 0.89 C ATOM 0 H ALA A 100 1.071 0.248 -1.487 1.00 0.55 H new ATOM 0 HA ALA A 100 3.292 -1.599 -1.926 1.00 0.63 H new ATOM 0 HB1 ALA A 100 4.608 0.202 -0.882 1.00 0.89 H new ATOM 0 HB2 ALA A 100 3.642 0.800 -2.252 1.00 0.89 H new ATOM 0 HB3 ALA A 100 3.111 1.117 -0.584 1.00 0.89 H new ATOM 1307 N GLY A 101 2.651 -2.831 0.193 1.00 0.78 N ATOM 1308 CA GLY A 101 2.607 -3.532 1.458 1.00 0.83 C ATOM 1309 C GLY A 101 1.441 -4.495 1.529 1.00 0.73 C ATOM 1310 O GLY A 101 0.816 -4.795 0.513 1.00 1.06 O ATOM 0 H GLY A 101 2.580 -3.431 -0.629 1.00 0.78 H new ATOM 0 HA2 GLY A 101 3.539 -4.079 1.603 1.00 0.83 H new ATOM 0 HA3 GLY A 101 2.532 -2.810 2.271 1.00 0.83 H new ATOM 1314 N SER A 102 1.142 -4.974 2.725 1.00 0.51 N ATOM 1315 CA SER A 102 0.046 -5.913 2.922 1.00 0.48 C ATOM 1316 C SER A 102 -0.955 -5.366 3.934 1.00 0.52 C ATOM 1317 O SER A 102 -1.708 -6.116 4.551 1.00 1.13 O ATOM 1318 CB SER A 102 0.593 -7.264 3.391 1.00 0.60 C ATOM 1319 OG SER A 102 1.644 -7.096 4.336 1.00 1.00 O ATOM 0 H SER A 102 1.644 -4.728 3.578 1.00 0.51 H new ATOM 0 HA SER A 102 -0.470 -6.051 1.972 1.00 0.48 H new ATOM 0 HB2 SER A 102 -0.211 -7.849 3.838 1.00 0.60 H new ATOM 0 HB3 SER A 102 0.959 -7.828 2.533 1.00 0.60 H new ATOM 0 HG SER A 102 1.973 -7.975 4.619 1.00 1.00 H new ATOM 1325 N LYS A 103 -0.959 -4.052 4.095 1.00 0.42 N ATOM 1326 CA LYS A 103 -1.855 -3.400 5.038 1.00 0.42 C ATOM 1327 C LYS A 103 -3.293 -3.418 4.528 1.00 0.39 C ATOM 1328 O LYS A 103 -3.608 -2.812 3.499 1.00 0.44 O ATOM 1329 CB LYS A 103 -1.400 -1.965 5.292 1.00 0.52 C ATOM 1330 CG LYS A 103 -1.831 -1.424 6.641 1.00 0.60 C ATOM 1331 CD LYS A 103 -1.250 -0.044 6.903 1.00 0.79 C ATOM 1332 CE LYS A 103 -1.495 0.398 8.336 1.00 0.93 C ATOM 1333 NZ LYS A 103 -0.720 -0.416 9.310 1.00 1.17 N ATOM 0 H LYS A 103 -0.350 -3.414 3.583 1.00 0.42 H new ATOM 0 HA LYS A 103 -1.822 -3.952 5.977 1.00 0.42 H new ATOM 0 HB2 LYS A 103 -0.313 -1.919 5.221 1.00 0.52 H new ATOM 0 HB3 LYS A 103 -1.798 -1.322 4.507 1.00 0.52 H new ATOM 0 HG2 LYS A 103 -2.919 -1.375 6.683 1.00 0.60 H new ATOM 0 HG3 LYS A 103 -1.512 -2.109 7.427 1.00 0.60 H new ATOM 0 HD2 LYS A 103 -0.179 -0.054 6.702 1.00 0.79 H new ATOM 0 HD3 LYS A 103 -1.696 0.676 6.217 1.00 0.79 H new ATOM 0 HE2 LYS A 103 -1.223 1.448 8.443 1.00 0.93 H new ATOM 0 HE3 LYS A 103 -2.558 0.320 8.563 1.00 0.93 H new ATOM 0 HZ1 LYS A 103 -0.695 0.072 10.228 1.00 1.17 H new ATOM 0 HZ2 LYS A 103 -1.173 -1.345 9.424 1.00 1.17 H new ATOM 0 HZ3 LYS A 103 0.251 -0.545 8.960 1.00 1.17 H new ATOM 1347 N ARG A 104 -4.147 -4.135 5.244 1.00 0.37 N ATOM 1348 CA ARG A 104 -5.560 -4.249 4.898 1.00 0.38 C ATOM 1349 C ARG A 104 -6.419 -3.814 6.081 1.00 0.37 C ATOM 1350 O ARG A 104 -6.423 -4.471 7.124 1.00 0.51 O ATOM 1351 CB ARG A 104 -5.905 -5.692 4.515 1.00 0.47 C ATOM 1352 CG ARG A 104 -5.077 -6.247 3.368 1.00 0.63 C ATOM 1353 CD ARG A 104 -4.834 -7.739 3.539 1.00 0.86 C ATOM 1354 NE ARG A 104 -4.109 -8.318 2.407 1.00 1.11 N ATOM 1355 CZ ARG A 104 -2.943 -8.962 2.510 1.00 1.40 C ATOM 1356 NH1 ARG A 104 -2.359 -9.119 3.695 1.00 1.85 N ATOM 1357 NH2 ARG A 104 -2.363 -9.464 1.424 1.00 1.70 N ATOM 0 H ARG A 104 -3.882 -4.654 6.081 1.00 0.37 H new ATOM 0 HA ARG A 104 -5.761 -3.602 4.044 1.00 0.38 H new ATOM 0 HB2 ARG A 104 -5.769 -6.330 5.388 1.00 0.47 H new ATOM 0 HB3 ARG A 104 -6.960 -5.742 4.244 1.00 0.47 H new ATOM 0 HG2 ARG A 104 -5.590 -6.065 2.424 1.00 0.63 H new ATOM 0 HG3 ARG A 104 -4.122 -5.723 3.318 1.00 0.63 H new ATOM 0 HD2 ARG A 104 -4.269 -7.910 4.455 1.00 0.86 H new ATOM 0 HD3 ARG A 104 -5.790 -8.250 3.654 1.00 0.86 H new ATOM 0 HE ARG A 104 -4.521 -8.224 1.479 1.00 1.11 H new ATOM 0 HH11 ARG A 104 -2.801 -8.746 4.535 1.00 1.85 H new ATOM 0 HH12 ARG A 104 -1.469 -9.612 3.764 1.00 1.85 H new ATOM 0 HH21 ARG A 104 -2.808 -9.357 0.513 1.00 1.70 H new ATOM 0 HH22 ARG A 104 -1.473 -9.956 1.502 1.00 1.70 H new ATOM 1371 N LEU A 105 -7.127 -2.706 5.929 1.00 0.33 N ATOM 1372 CA LEU A 105 -7.979 -2.192 6.997 1.00 0.34 C ATOM 1373 C LEU A 105 -9.450 -2.409 6.658 1.00 0.33 C ATOM 1374 O LEU A 105 -9.922 -1.951 5.620 1.00 0.39 O ATOM 1375 CB LEU A 105 -7.700 -0.704 7.221 1.00 0.37 C ATOM 1376 CG LEU A 105 -6.220 -0.342 7.367 1.00 0.50 C ATOM 1377 CD1 LEU A 105 -6.040 1.166 7.353 1.00 0.70 C ATOM 1378 CD2 LEU A 105 -5.644 -0.943 8.644 1.00 0.82 C ATOM 0 H LEU A 105 -7.131 -2.144 5.078 1.00 0.33 H new ATOM 0 HA LEU A 105 -7.753 -2.735 7.915 1.00 0.34 H new ATOM 0 HB2 LEU A 105 -8.116 -0.141 6.386 1.00 0.37 H new ATOM 0 HB3 LEU A 105 -8.229 -0.381 8.118 1.00 0.37 H new ATOM 0 HG LEU A 105 -5.676 -0.760 6.520 1.00 0.50 H new ATOM 0 HD11 LEU A 105 -4.982 1.407 7.458 1.00 0.70 H new ATOM 0 HD12 LEU A 105 -6.412 1.568 6.411 1.00 0.70 H new ATOM 0 HD13 LEU A 105 -6.596 1.607 8.180 1.00 0.70 H new ATOM 0 HD21 LEU A 105 -4.591 -0.674 8.730 1.00 0.82 H new ATOM 0 HD22 LEU A 105 -6.188 -0.557 9.506 1.00 0.82 H new ATOM 0 HD23 LEU A 105 -5.740 -2.028 8.611 1.00 0.82 H new ATOM 1390 N PHE A 106 -10.170 -3.102 7.527 1.00 0.34 N ATOM 1391 CA PHE A 106 -11.581 -3.393 7.292 1.00 0.34 C ATOM 1392 C PHE A 106 -12.490 -2.475 8.108 1.00 0.35 C ATOM 1393 O PHE A 106 -12.217 -2.192 9.277 1.00 0.37 O ATOM 1394 CB PHE A 106 -11.884 -4.855 7.627 1.00 0.38 C ATOM 1395 CG PHE A 106 -11.212 -5.840 6.711 1.00 0.40 C ATOM 1396 CD1 PHE A 106 -9.934 -6.299 6.983 1.00 0.46 C ATOM 1397 CD2 PHE A 106 -11.861 -6.310 5.582 1.00 0.44 C ATOM 1398 CE1 PHE A 106 -9.315 -7.207 6.145 1.00 0.52 C ATOM 1399 CE2 PHE A 106 -11.249 -7.218 4.739 1.00 0.50 C ATOM 1400 CZ PHE A 106 -9.976 -7.669 5.021 1.00 0.52 C ATOM 0 H PHE A 106 -9.803 -3.475 8.403 1.00 0.34 H new ATOM 0 HA PHE A 106 -11.782 -3.214 6.236 1.00 0.34 H new ATOM 0 HB2 PHE A 106 -11.572 -5.055 8.652 1.00 0.38 H new ATOM 0 HB3 PHE A 106 -12.962 -5.012 7.586 1.00 0.38 H new ATOM 0 HD1 PHE A 106 -9.415 -5.943 7.861 1.00 0.46 H new ATOM 0 HD2 PHE A 106 -12.859 -5.962 5.357 1.00 0.44 H new ATOM 0 HE1 PHE A 106 -8.317 -7.555 6.367 1.00 0.52 H new ATOM 0 HE2 PHE A 106 -11.767 -7.574 3.861 1.00 0.50 H new ATOM 0 HZ PHE A 106 -9.497 -8.381 4.366 1.00 0.52 H new ATOM 1410 N PHE A 107 -13.567 -2.014 7.476 1.00 0.35 N ATOM 1411 CA PHE A 107 -14.540 -1.135 8.118 1.00 0.37 C ATOM 1412 C PHE A 107 -15.956 -1.535 7.713 1.00 0.39 C ATOM 1413 O PHE A 107 -16.197 -1.896 6.562 1.00 0.48 O ATOM 1414 CB PHE A 107 -14.303 0.327 7.712 1.00 0.36 C ATOM 1415 CG PHE A 107 -13.016 0.918 8.220 1.00 0.35 C ATOM 1416 CD1 PHE A 107 -12.947 1.471 9.489 1.00 0.41 C ATOM 1417 CD2 PHE A 107 -11.879 0.926 7.427 1.00 0.38 C ATOM 1418 CE1 PHE A 107 -11.767 2.016 9.959 1.00 0.46 C ATOM 1419 CE2 PHE A 107 -10.696 1.470 7.893 1.00 0.43 C ATOM 1420 CZ PHE A 107 -10.642 2.017 9.160 1.00 0.46 C ATOM 0 H PHE A 107 -13.789 -2.239 6.506 1.00 0.35 H new ATOM 0 HA PHE A 107 -14.421 -1.233 9.197 1.00 0.37 H new ATOM 0 HB2 PHE A 107 -14.314 0.394 6.624 1.00 0.36 H new ATOM 0 HB3 PHE A 107 -15.134 0.931 8.077 1.00 0.36 H new ATOM 0 HD1 PHE A 107 -13.825 1.476 10.118 1.00 0.41 H new ATOM 0 HD2 PHE A 107 -11.917 0.503 6.434 1.00 0.38 H new ATOM 0 HE1 PHE A 107 -11.725 2.441 10.951 1.00 0.46 H new ATOM 0 HE2 PHE A 107 -9.816 1.467 7.267 1.00 0.43 H new ATOM 0 HZ PHE A 107 -9.720 2.445 9.525 1.00 0.46 H new ATOM 1430 N TRP A 108 -16.896 -1.467 8.645 1.00 0.41 N ATOM 1431 CA TRP A 108 -18.278 -1.812 8.335 1.00 0.43 C ATOM 1432 C TRP A 108 -19.170 -0.578 8.448 1.00 0.45 C ATOM 1433 O TRP A 108 -19.092 0.173 9.419 1.00 0.45 O ATOM 1434 CB TRP A 108 -18.792 -2.967 9.212 1.00 0.45 C ATOM 1435 CG TRP A 108 -18.757 -2.719 10.697 1.00 0.48 C ATOM 1436 CD1 TRP A 108 -17.660 -2.732 11.511 1.00 0.51 C ATOM 1437 CD2 TRP A 108 -19.883 -2.458 11.544 1.00 0.55 C ATOM 1438 NE1 TRP A 108 -18.035 -2.482 12.810 1.00 0.58 N ATOM 1439 CE2 TRP A 108 -19.393 -2.308 12.857 1.00 0.60 C ATOM 1440 CE3 TRP A 108 -21.255 -2.327 11.321 1.00 0.61 C ATOM 1441 CZ2 TRP A 108 -20.230 -2.042 13.936 1.00 0.70 C ATOM 1442 CZ3 TRP A 108 -22.085 -2.063 12.394 1.00 0.70 C ATOM 1443 CH2 TRP A 108 -21.569 -1.918 13.687 1.00 0.74 C ATOM 0 H TRP A 108 -16.732 -1.180 9.610 1.00 0.41 H new ATOM 0 HA TRP A 108 -18.314 -2.166 7.305 1.00 0.43 H new ATOM 0 HB2 TRP A 108 -19.819 -3.190 8.923 1.00 0.45 H new ATOM 0 HB3 TRP A 108 -18.199 -3.856 8.996 1.00 0.45 H new ATOM 0 HD1 TRP A 108 -16.647 -2.912 11.182 1.00 0.51 H new ATOM 0 HE1 TRP A 108 -17.404 -2.434 13.610 1.00 0.58 H new ATOM 0 HE3 TRP A 108 -21.661 -2.430 10.326 1.00 0.61 H new ATOM 0 HZ2 TRP A 108 -19.836 -1.937 14.936 1.00 0.70 H new ATOM 0 HZ3 TRP A 108 -23.149 -1.967 12.232 1.00 0.70 H new ATOM 0 HH2 TRP A 108 -22.242 -1.704 14.504 1.00 0.74 H new ATOM 1454 N MET A 109 -19.996 -0.368 7.429 1.00 0.46 N ATOM 1455 CA MET A 109 -20.894 0.783 7.372 1.00 0.48 C ATOM 1456 C MET A 109 -21.915 0.772 8.505 1.00 0.50 C ATOM 1457 O MET A 109 -22.590 -0.233 8.743 1.00 0.51 O ATOM 1458 CB MET A 109 -21.623 0.821 6.025 1.00 0.50 C ATOM 1459 CG MET A 109 -20.739 1.212 4.852 1.00 0.50 C ATOM 1460 SD MET A 109 -20.234 2.940 4.907 1.00 0.58 S ATOM 1461 CE MET A 109 -19.344 3.075 3.358 1.00 0.60 C ATOM 0 H MET A 109 -20.063 -0.987 6.621 1.00 0.46 H new ATOM 0 HA MET A 109 -20.279 1.676 7.485 1.00 0.48 H new ATOM 0 HB2 MET A 109 -22.054 -0.161 5.830 1.00 0.50 H new ATOM 0 HB3 MET A 109 -22.452 1.526 6.092 1.00 0.50 H new ATOM 0 HG2 MET A 109 -19.852 0.579 4.844 1.00 0.50 H new ATOM 0 HG3 MET A 109 -21.274 1.024 3.921 1.00 0.50 H new ATOM 0 HE1 MET A 109 -18.966 4.091 3.243 1.00 0.60 H new ATOM 0 HE2 MET A 109 -18.509 2.375 3.356 1.00 0.60 H new ATOM 0 HE3 MET A 109 -20.015 2.841 2.531 1.00 0.60 H new ATOM 1471 N GLN A 110 -22.015 1.898 9.200 1.00 0.51 N ATOM 1472 CA GLN A 110 -22.962 2.047 10.297 1.00 0.53 C ATOM 1473 C GLN A 110 -24.090 2.986 9.888 1.00 0.56 C ATOM 1474 O GLN A 110 -24.946 3.340 10.698 1.00 0.61 O ATOM 1475 CB GLN A 110 -22.266 2.580 11.555 1.00 0.53 C ATOM 1476 CG GLN A 110 -21.260 1.612 12.155 1.00 0.51 C ATOM 1477 CD GLN A 110 -20.619 2.143 13.426 1.00 0.52 C ATOM 1478 OE1 GLN A 110 -20.497 3.354 13.620 1.00 0.55 O ATOM 1479 NE2 GLN A 110 -20.191 1.243 14.298 1.00 0.53 N ATOM 0 H GLN A 110 -21.448 2.727 9.021 1.00 0.51 H new ATOM 0 HA GLN A 110 -23.376 1.065 10.526 1.00 0.53 H new ATOM 0 HB2 GLN A 110 -21.758 3.513 11.310 1.00 0.53 H new ATOM 0 HB3 GLN A 110 -23.021 2.816 12.305 1.00 0.53 H new ATOM 0 HG2 GLN A 110 -21.757 0.666 12.372 1.00 0.51 H new ATOM 0 HG3 GLN A 110 -20.482 1.402 11.421 1.00 0.51 H new ATOM 0 HE21 GLN A 110 -20.309 0.249 14.104 1.00 0.53 H new ATOM 0 HE22 GLN A 110 -19.743 1.544 15.164 1.00 0.53 H new ATOM 1488 N GLU A 111 -24.072 3.390 8.623 1.00 0.57 N ATOM 1489 CA GLU A 111 -25.089 4.284 8.079 1.00 0.60 C ATOM 1490 C GLU A 111 -26.441 3.575 8.010 1.00 0.63 C ATOM 1491 O GLU A 111 -26.503 2.377 7.733 1.00 0.64 O ATOM 1492 CB GLU A 111 -24.667 4.774 6.692 1.00 0.61 C ATOM 1493 CG GLU A 111 -23.473 5.715 6.719 1.00 0.62 C ATOM 1494 CD GLU A 111 -23.795 7.042 7.374 1.00 0.65 C ATOM 1495 OE1 GLU A 111 -24.840 7.638 7.035 1.00 0.73 O ATOM 1496 OE2 GLU A 111 -23.007 7.501 8.225 1.00 0.67 O ATOM 0 H GLU A 111 -23.359 3.110 7.950 1.00 0.57 H new ATOM 0 HA GLU A 111 -25.189 5.146 8.739 1.00 0.60 H new ATOM 0 HB2 GLU A 111 -24.427 3.913 6.069 1.00 0.61 H new ATOM 0 HB3 GLU A 111 -25.510 5.282 6.223 1.00 0.61 H new ATOM 0 HG2 GLU A 111 -22.651 5.239 7.254 1.00 0.62 H new ATOM 0 HG3 GLU A 111 -23.130 5.891 5.699 1.00 0.62 H new ATOM 1503 N PRO A 112 -27.535 4.312 8.251 1.00 0.67 N ATOM 1504 CA PRO A 112 -28.899 3.754 8.250 1.00 0.71 C ATOM 1505 C PRO A 112 -29.312 3.094 6.931 1.00 0.71 C ATOM 1506 O PRO A 112 -29.868 1.997 6.930 1.00 0.79 O ATOM 1507 CB PRO A 112 -29.788 4.973 8.533 1.00 0.77 C ATOM 1508 CG PRO A 112 -28.942 6.163 8.240 1.00 0.82 C ATOM 1509 CD PRO A 112 -27.534 5.753 8.557 1.00 0.71 C ATOM 0 HA PRO A 112 -28.982 2.951 8.982 1.00 0.71 H new ATOM 0 HB2 PRO A 112 -30.679 4.962 7.906 1.00 0.77 H new ATOM 0 HB3 PRO A 112 -30.127 4.979 9.569 1.00 0.77 H new ATOM 0 HG2 PRO A 112 -29.036 6.462 7.196 1.00 0.82 H new ATOM 0 HG3 PRO A 112 -29.246 7.017 8.845 1.00 0.82 H new ATOM 0 HD2 PRO A 112 -26.809 6.295 7.950 1.00 0.71 H new ATOM 0 HD3 PRO A 112 -27.282 5.944 9.600 1.00 0.71 H new ATOM 1517 N LYS A 113 -29.045 3.754 5.815 1.00 0.72 N ATOM 1518 CA LYS A 113 -29.430 3.216 4.518 1.00 0.75 C ATOM 1519 C LYS A 113 -28.219 2.852 3.665 1.00 0.69 C ATOM 1520 O LYS A 113 -27.205 3.554 3.668 1.00 0.70 O ATOM 1521 CB LYS A 113 -30.305 4.217 3.758 1.00 0.86 C ATOM 1522 CG LYS A 113 -31.798 4.069 4.017 1.00 0.99 C ATOM 1523 CD LYS A 113 -32.217 4.763 5.301 1.00 1.05 C ATOM 1524 CE LYS A 113 -33.726 4.731 5.476 1.00 1.11 C ATOM 1525 NZ LYS A 113 -34.186 5.655 6.546 1.00 1.51 N ATOM 0 H LYS A 113 -28.568 4.655 5.779 1.00 0.72 H new ATOM 0 HA LYS A 113 -29.996 2.304 4.709 1.00 0.75 H new ATOM 0 HB2 LYS A 113 -30.000 5.228 4.029 1.00 0.86 H new ATOM 0 HB3 LYS A 113 -30.121 4.105 2.690 1.00 0.86 H new ATOM 0 HG2 LYS A 113 -32.356 4.487 3.179 1.00 0.99 H new ATOM 0 HG3 LYS A 113 -32.054 3.011 4.075 1.00 0.99 H new ATOM 0 HD2 LYS A 113 -31.739 4.278 6.152 1.00 1.05 H new ATOM 0 HD3 LYS A 113 -31.872 5.797 5.288 1.00 1.05 H new ATOM 0 HE2 LYS A 113 -34.205 5.000 4.535 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -34.041 3.715 5.715 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -35.221 5.600 6.630 1.00 1.51 H new ATOM 0 HZ2 LYS A 113 -33.750 5.383 7.450 1.00 1.51 H new ATOM 0 HZ3 LYS A 113 -33.909 6.628 6.307 1.00 1.51 H new ATOM 1539 N THR A 114 -28.353 1.759 2.924 1.00 0.69 N ATOM 1540 CA THR A 114 -27.305 1.272 2.032 1.00 0.66 C ATOM 1541 C THR A 114 -27.295 2.064 0.725 1.00 0.67 C ATOM 1542 O THR A 114 -26.445 1.855 -0.141 1.00 0.69 O ATOM 1543 CB THR A 114 -27.537 -0.210 1.700 1.00 0.70 C ATOM 1544 OG1 THR A 114 -28.824 -0.619 2.187 1.00 0.90 O ATOM 1545 CG2 THR A 114 -26.456 -1.086 2.307 1.00 0.86 C ATOM 0 H THR A 114 -29.194 1.182 2.924 1.00 0.69 H new ATOM 0 HA THR A 114 -26.350 1.397 2.542 1.00 0.66 H new ATOM 0 HB THR A 114 -27.499 -0.326 0.617 1.00 0.70 H new ATOM 0 HG1 THR A 114 -28.970 -1.564 1.972 1.00 0.90 H new ATOM 0 HG21 THR A 114 -26.648 -2.129 2.054 1.00 0.86 H new ATOM 0 HG22 THR A 114 -25.484 -0.790 1.912 1.00 0.86 H new ATOM 0 HG23 THR A 114 -26.459 -0.969 3.391 1.00 0.86 H new ATOM 1553 N ASP A 115 -28.257 2.970 0.603 1.00 0.69 N ATOM 1554 CA ASP A 115 -28.421 3.802 -0.585 1.00 0.72 C ATOM 1555 C ASP A 115 -27.153 4.574 -0.938 1.00 0.68 C ATOM 1556 O ASP A 115 -26.795 4.691 -2.108 1.00 0.72 O ATOM 1557 CB ASP A 115 -29.562 4.798 -0.374 1.00 0.79 C ATOM 1558 CG ASP A 115 -30.931 4.152 -0.398 1.00 0.94 C ATOM 1559 OD1 ASP A 115 -31.260 3.404 0.550 1.00 1.14 O ATOM 1560 OD2 ASP A 115 -31.695 4.400 -1.357 1.00 1.19 O ATOM 0 H ASP A 115 -28.950 3.150 1.329 1.00 0.69 H new ATOM 0 HA ASP A 115 -28.647 3.128 -1.412 1.00 0.72 H new ATOM 0 HB2 ASP A 115 -29.423 5.303 0.582 1.00 0.79 H new ATOM 0 HB3 ASP A 115 -29.515 5.563 -1.149 1.00 0.79 H new ATOM 1565 N GLN A 116 -26.474 5.106 0.074 1.00 0.66 N ATOM 1566 CA GLN A 116 -25.268 5.894 -0.159 1.00 0.64 C ATOM 1567 C GLN A 116 -24.003 5.152 0.268 1.00 0.60 C ATOM 1568 O GLN A 116 -22.974 5.773 0.538 1.00 0.59 O ATOM 1569 CB GLN A 116 -25.358 7.228 0.584 1.00 0.70 C ATOM 1570 CG GLN A 116 -26.564 8.071 0.195 1.00 0.77 C ATOM 1571 CD GLN A 116 -26.616 8.390 -1.287 1.00 0.83 C ATOM 1572 OE1 GLN A 116 -27.246 7.677 -2.063 1.00 0.90 O ATOM 1573 NE2 GLN A 116 -25.950 9.463 -1.689 1.00 0.92 N ATOM 0 H GLN A 116 -26.735 5.007 1.055 1.00 0.66 H new ATOM 0 HA GLN A 116 -25.202 6.072 -1.232 1.00 0.64 H new ATOM 0 HB2 GLN A 116 -25.393 7.034 1.656 1.00 0.70 H new ATOM 0 HB3 GLN A 116 -24.450 7.801 0.394 1.00 0.70 H new ATOM 0 HG2 GLN A 116 -27.475 7.544 0.479 1.00 0.77 H new ATOM 0 HG3 GLN A 116 -26.546 9.003 0.760 1.00 0.77 H new ATOM 0 HE21 GLN A 116 -25.439 10.029 -1.012 1.00 0.92 H new ATOM 0 HE22 GLN A 116 -25.949 9.723 -2.675 1.00 0.92 H new ATOM 1582 N ASP A 117 -24.073 3.829 0.319 1.00 0.59 N ATOM 1583 CA ASP A 117 -22.918 3.022 0.715 1.00 0.58 C ATOM 1584 C ASP A 117 -21.824 3.102 -0.338 1.00 0.55 C ATOM 1585 O ASP A 117 -20.694 3.511 -0.053 1.00 0.53 O ATOM 1586 CB ASP A 117 -23.324 1.564 0.942 1.00 0.60 C ATOM 1587 CG ASP A 117 -23.522 1.230 2.409 1.00 0.62 C ATOM 1588 OD1 ASP A 117 -23.772 2.156 3.213 1.00 0.67 O ATOM 1589 OD2 ASP A 117 -23.445 0.030 2.768 1.00 0.64 O ATOM 0 H ASP A 117 -24.910 3.291 0.094 1.00 0.59 H new ATOM 0 HA ASP A 117 -22.533 3.423 1.652 1.00 0.58 H new ATOM 0 HB2 ASP A 117 -24.247 1.360 0.400 1.00 0.60 H new ATOM 0 HB3 ASP A 117 -22.559 0.909 0.525 1.00 0.60 H new ATOM 1594 N GLU A 118 -22.173 2.739 -1.561 1.00 0.56 N ATOM 1595 CA GLU A 118 -21.231 2.765 -2.669 1.00 0.56 C ATOM 1596 C GLU A 118 -20.805 4.194 -2.987 1.00 0.55 C ATOM 1597 O GLU A 118 -19.658 4.439 -3.363 1.00 0.55 O ATOM 1598 CB GLU A 118 -21.855 2.111 -3.895 1.00 0.59 C ATOM 1599 CG GLU A 118 -21.936 0.598 -3.787 1.00 0.62 C ATOM 1600 CD GLU A 118 -20.594 -0.063 -3.998 1.00 0.64 C ATOM 1601 OE1 GLU A 118 -20.206 -0.254 -5.170 1.00 0.85 O ATOM 1602 OE2 GLU A 118 -19.912 -0.385 -3.001 1.00 0.70 O ATOM 0 H GLU A 118 -23.109 2.421 -1.813 1.00 0.56 H new ATOM 0 HA GLU A 118 -20.341 2.205 -2.381 1.00 0.56 H new ATOM 0 HB2 GLU A 118 -22.857 2.513 -4.043 1.00 0.59 H new ATOM 0 HB3 GLU A 118 -21.272 2.376 -4.777 1.00 0.59 H new ATOM 0 HG2 GLU A 118 -22.322 0.326 -2.805 1.00 0.62 H new ATOM 0 HG3 GLU A 118 -22.645 0.220 -4.524 1.00 0.62 H new ATOM 1609 N GLU A 119 -21.730 5.135 -2.820 1.00 0.57 N ATOM 1610 CA GLU A 119 -21.449 6.543 -3.077 1.00 0.59 C ATOM 1611 C GLU A 119 -20.329 7.031 -2.164 1.00 0.56 C ATOM 1612 O GLU A 119 -19.406 7.718 -2.608 1.00 0.57 O ATOM 1613 CB GLU A 119 -22.712 7.383 -2.868 1.00 0.64 C ATOM 1614 CG GLU A 119 -22.579 8.830 -3.323 1.00 0.71 C ATOM 1615 CD GLU A 119 -22.162 8.960 -4.777 1.00 0.84 C ATOM 1616 OE1 GLU A 119 -22.614 8.141 -5.610 1.00 1.12 O ATOM 1617 OE2 GLU A 119 -21.379 9.882 -5.096 1.00 1.25 O ATOM 0 H GLU A 119 -22.682 4.947 -2.507 1.00 0.57 H new ATOM 0 HA GLU A 119 -21.127 6.653 -4.113 1.00 0.59 H new ATOM 0 HB2 GLU A 119 -23.538 6.918 -3.407 1.00 0.64 H new ATOM 0 HB3 GLU A 119 -22.974 7.369 -1.810 1.00 0.64 H new ATOM 0 HG2 GLU A 119 -23.531 9.340 -3.177 1.00 0.71 H new ATOM 0 HG3 GLU A 119 -21.847 9.337 -2.694 1.00 0.71 H new ATOM 1624 N HIS A 120 -20.404 6.645 -0.891 1.00 0.55 N ATOM 1625 CA HIS A 120 -19.386 7.022 0.083 1.00 0.54 C ATOM 1626 C HIS A 120 -18.048 6.413 -0.304 1.00 0.51 C ATOM 1627 O HIS A 120 -17.010 7.064 -0.210 1.00 0.52 O ATOM 1628 CB HIS A 120 -19.782 6.565 1.488 1.00 0.55 C ATOM 1629 CG HIS A 120 -20.560 7.584 2.259 1.00 0.59 C ATOM 1630 ND1 HIS A 120 -21.801 7.329 2.808 1.00 0.64 N ATOM 1631 CD2 HIS A 120 -20.268 8.867 2.573 1.00 0.71 C ATOM 1632 CE1 HIS A 120 -22.237 8.413 3.423 1.00 0.68 C ATOM 1633 NE2 HIS A 120 -21.326 9.359 3.297 1.00 0.74 N ATOM 0 H HIS A 120 -21.159 6.072 -0.513 1.00 0.55 H new ATOM 0 HA HIS A 120 -19.299 8.109 0.087 1.00 0.54 H new ATOM 0 HB2 HIS A 120 -20.374 5.653 1.410 1.00 0.55 H new ATOM 0 HB3 HIS A 120 -18.880 6.313 2.045 1.00 0.55 H new ATOM 0 HD2 HIS A 120 -19.370 9.404 2.304 1.00 0.71 H new ATOM 0 HE1 HIS A 120 -23.180 8.509 3.941 1.00 0.68 H new ATOM 0 HE2 HIS A 120 -21.396 10.303 3.676 1.00 0.74 H new ATOM 1642 N CYS A 121 -18.089 5.164 -0.755 1.00 0.49 N ATOM 1643 CA CYS A 121 -16.884 4.455 -1.173 1.00 0.48 C ATOM 1644 C CYS A 121 -16.219 5.166 -2.351 1.00 0.48 C ATOM 1645 O CYS A 121 -14.995 5.302 -2.395 1.00 0.47 O ATOM 1646 CB CYS A 121 -17.227 3.014 -1.557 1.00 0.49 C ATOM 1647 SG CYS A 121 -15.815 2.040 -2.132 1.00 0.48 S ATOM 0 H CYS A 121 -18.947 4.619 -0.841 1.00 0.49 H new ATOM 0 HA CYS A 121 -16.185 4.444 -0.337 1.00 0.48 H new ATOM 0 HB2 CYS A 121 -17.670 2.516 -0.694 1.00 0.49 H new ATOM 0 HB3 CYS A 121 -17.985 3.030 -2.340 1.00 0.49 H new ATOM 0 HG CYS A 121 -14.950 1.920 -1.169 1.00 0.48 H new ATOM 1653 N ARG A 122 -17.039 5.622 -3.293 1.00 0.51 N ATOM 1654 CA ARG A 122 -16.548 6.324 -4.470 1.00 0.54 C ATOM 1655 C ARG A 122 -15.891 7.638 -4.071 1.00 0.53 C ATOM 1656 O ARG A 122 -14.785 7.941 -4.514 1.00 0.54 O ATOM 1657 CB ARG A 122 -17.685 6.590 -5.459 1.00 0.59 C ATOM 1658 CG ARG A 122 -18.058 5.378 -6.299 1.00 0.85 C ATOM 1659 CD ARG A 122 -19.084 5.725 -7.363 1.00 0.89 C ATOM 1660 NE ARG A 122 -20.387 6.040 -6.786 1.00 1.09 N ATOM 1661 CZ ARG A 122 -21.358 5.145 -6.614 1.00 0.97 C ATOM 1662 NH1 ARG A 122 -21.178 3.876 -6.970 1.00 1.44 N ATOM 1663 NH2 ARG A 122 -22.507 5.525 -6.081 1.00 1.52 N ATOM 0 H ARG A 122 -18.053 5.516 -3.262 1.00 0.51 H new ATOM 0 HA ARG A 122 -15.806 5.690 -4.955 1.00 0.54 H new ATOM 0 HB2 ARG A 122 -18.564 6.924 -4.908 1.00 0.59 H new ATOM 0 HB3 ARG A 122 -17.396 7.406 -6.122 1.00 0.59 H new ATOM 0 HG2 ARG A 122 -17.163 4.975 -6.774 1.00 0.85 H new ATOM 0 HG3 ARG A 122 -18.455 4.596 -5.652 1.00 0.85 H new ATOM 0 HD2 ARG A 122 -18.730 6.577 -7.944 1.00 0.89 H new ATOM 0 HD3 ARG A 122 -19.187 4.888 -8.054 1.00 0.89 H new ATOM 0 HE ARG A 122 -20.564 7.002 -6.498 1.00 1.09 H new ATOM 0 HH11 ARG A 122 -20.291 3.582 -7.378 1.00 1.44 H new ATOM 0 HH12 ARG A 122 -21.927 3.197 -6.835 1.00 1.44 H new ATOM 0 HH21 ARG A 122 -22.644 6.497 -5.805 1.00 1.52 H new ATOM 0 HH22 ARG A 122 -23.256 4.846 -5.946 1.00 1.52 H new ATOM 1677 N LYS A 123 -16.565 8.404 -3.216 1.00 0.53 N ATOM 1678 CA LYS A 123 -16.031 9.682 -2.755 1.00 0.53 C ATOM 1679 C LYS A 123 -14.656 9.483 -2.132 1.00 0.51 C ATOM 1680 O LYS A 123 -13.707 10.193 -2.463 1.00 0.53 O ATOM 1681 CB LYS A 123 -16.966 10.337 -1.736 1.00 0.56 C ATOM 1682 CG LYS A 123 -18.228 10.916 -2.347 1.00 0.63 C ATOM 1683 CD LYS A 123 -18.857 11.954 -1.429 1.00 0.73 C ATOM 1684 CE LYS A 123 -20.143 12.512 -2.011 1.00 0.85 C ATOM 1685 NZ LYS A 123 -20.598 13.721 -1.274 1.00 1.12 N ATOM 0 H LYS A 123 -17.478 8.163 -2.830 1.00 0.53 H new ATOM 0 HA LYS A 123 -15.947 10.340 -3.620 1.00 0.53 H new ATOM 0 HB2 LYS A 123 -17.243 9.598 -0.984 1.00 0.56 H new ATOM 0 HB3 LYS A 123 -16.426 11.131 -1.219 1.00 0.56 H new ATOM 0 HG2 LYS A 123 -17.994 11.372 -3.309 1.00 0.63 H new ATOM 0 HG3 LYS A 123 -18.943 10.116 -2.539 1.00 0.63 H new ATOM 0 HD2 LYS A 123 -19.062 11.504 -0.458 1.00 0.73 H new ATOM 0 HD3 LYS A 123 -18.151 12.767 -1.261 1.00 0.73 H new ATOM 0 HE2 LYS A 123 -19.990 12.761 -3.061 1.00 0.85 H new ATOM 0 HE3 LYS A 123 -20.921 11.749 -1.975 1.00 0.85 H new ATOM 0 HZ1 LYS A 123 -21.479 14.075 -1.699 1.00 1.12 H new ATOM 0 HZ2 LYS A 123 -20.768 13.477 -0.277 1.00 1.12 H new ATOM 0 HZ3 LYS A 123 -19.866 14.458 -1.330 1.00 1.12 H new ATOM 1699 N VAL A 124 -14.555 8.499 -1.251 1.00 0.48 N ATOM 1700 CA VAL A 124 -13.296 8.195 -0.584 1.00 0.46 C ATOM 1701 C VAL A 124 -12.224 7.831 -1.609 1.00 0.45 C ATOM 1702 O VAL A 124 -11.126 8.383 -1.594 1.00 0.45 O ATOM 1703 CB VAL A 124 -13.465 7.036 0.423 1.00 0.45 C ATOM 1704 CG1 VAL A 124 -12.123 6.567 0.975 1.00 0.43 C ATOM 1705 CG2 VAL A 124 -14.389 7.449 1.552 1.00 0.50 C ATOM 0 H VAL A 124 -15.331 7.895 -0.980 1.00 0.48 H new ATOM 0 HA VAL A 124 -12.986 9.086 -0.039 1.00 0.46 H new ATOM 0 HB VAL A 124 -13.911 6.197 -0.111 1.00 0.45 H new ATOM 0 HG11 VAL A 124 -12.284 5.751 1.680 1.00 0.43 H new ATOM 0 HG12 VAL A 124 -11.494 6.220 0.155 1.00 0.43 H new ATOM 0 HG13 VAL A 124 -11.630 7.395 1.485 1.00 0.43 H new ATOM 0 HG21 VAL A 124 -14.498 6.622 2.254 1.00 0.50 H new ATOM 0 HG22 VAL A 124 -13.968 8.311 2.070 1.00 0.50 H new ATOM 0 HG23 VAL A 124 -15.366 7.711 1.145 1.00 0.50 H new ATOM 1715 N ASN A 125 -12.567 6.920 -2.519 1.00 0.46 N ATOM 1716 CA ASN A 125 -11.648 6.469 -3.565 1.00 0.48 C ATOM 1717 C ASN A 125 -11.122 7.637 -4.392 1.00 0.49 C ATOM 1718 O ASN A 125 -9.912 7.773 -4.598 1.00 0.52 O ATOM 1719 CB ASN A 125 -12.342 5.467 -4.491 1.00 0.50 C ATOM 1720 CG ASN A 125 -12.010 4.033 -4.150 1.00 0.51 C ATOM 1721 OD1 ASN A 125 -10.883 3.711 -3.772 1.00 0.69 O ATOM 1722 ND2 ASN A 125 -12.989 3.155 -4.290 1.00 0.77 N ATOM 0 H ASN A 125 -13.484 6.475 -2.553 1.00 0.46 H new ATOM 0 HA ASN A 125 -10.805 5.988 -3.069 1.00 0.48 H new ATOM 0 HB2 ASN A 125 -13.421 5.610 -4.431 1.00 0.50 H new ATOM 0 HB3 ASN A 125 -12.050 5.668 -5.522 1.00 0.50 H new ATOM 0 HD21 ASN A 125 -12.824 2.170 -4.082 1.00 0.77 H new ATOM 0 HD22 ASN A 125 -13.909 3.463 -4.606 1.00 0.77 H new ATOM 1729 N GLU A 126 -12.037 8.484 -4.848 1.00 0.52 N ATOM 1730 CA GLU A 126 -11.679 9.630 -5.673 1.00 0.56 C ATOM 1731 C GLU A 126 -10.868 10.660 -4.894 1.00 0.55 C ATOM 1732 O GLU A 126 -9.870 11.175 -5.389 1.00 0.64 O ATOM 1733 CB GLU A 126 -12.939 10.279 -6.255 1.00 0.64 C ATOM 1734 CG GLU A 126 -13.745 9.341 -7.141 1.00 0.76 C ATOM 1735 CD GLU A 126 -14.920 10.027 -7.805 1.00 0.91 C ATOM 1736 OE1 GLU A 126 -15.967 10.210 -7.147 1.00 1.30 O ATOM 1737 OE2 GLU A 126 -14.804 10.378 -8.998 1.00 1.27 O ATOM 0 H GLU A 126 -13.036 8.398 -4.659 1.00 0.52 H new ATOM 0 HA GLU A 126 -11.053 9.265 -6.487 1.00 0.56 H new ATOM 0 HB2 GLU A 126 -13.570 10.627 -5.438 1.00 0.64 H new ATOM 0 HB3 GLU A 126 -12.653 11.157 -6.833 1.00 0.64 H new ATOM 0 HG2 GLU A 126 -13.093 8.923 -7.908 1.00 0.76 H new ATOM 0 HG3 GLU A 126 -14.109 8.506 -6.542 1.00 0.76 H new ATOM 1744 N TYR A 127 -11.280 10.940 -3.668 1.00 0.53 N ATOM 1745 CA TYR A 127 -10.603 11.934 -2.836 1.00 0.55 C ATOM 1746 C TYR A 127 -9.216 11.481 -2.375 1.00 0.52 C ATOM 1747 O TYR A 127 -8.355 12.317 -2.087 1.00 0.60 O ATOM 1748 CB TYR A 127 -11.466 12.266 -1.620 1.00 0.59 C ATOM 1749 CG TYR A 127 -12.372 13.460 -1.821 1.00 0.62 C ATOM 1750 CD1 TYR A 127 -11.865 14.755 -1.781 1.00 0.73 C ATOM 1751 CD2 TYR A 127 -13.732 13.298 -2.044 1.00 0.69 C ATOM 1752 CE1 TYR A 127 -12.689 15.849 -1.958 1.00 0.79 C ATOM 1753 CE2 TYR A 127 -14.563 14.388 -2.224 1.00 0.74 C ATOM 1754 CZ TYR A 127 -14.036 15.659 -2.180 1.00 0.74 C ATOM 1755 OH TYR A 127 -14.859 16.746 -2.359 1.00 0.84 O ATOM 0 H TYR A 127 -12.082 10.494 -3.222 1.00 0.53 H new ATOM 0 HA TYR A 127 -10.461 12.821 -3.454 1.00 0.55 H new ATOM 0 HB2 TYR A 127 -12.075 11.397 -1.371 1.00 0.59 H new ATOM 0 HB3 TYR A 127 -10.816 12.455 -0.766 1.00 0.59 H new ATOM 0 HD1 TYR A 127 -10.810 14.907 -1.609 1.00 0.73 H new ATOM 0 HD2 TYR A 127 -14.149 12.302 -2.078 1.00 0.69 H new ATOM 0 HE1 TYR A 127 -12.280 16.848 -1.923 1.00 0.79 H new ATOM 0 HE2 TYR A 127 -15.619 14.243 -2.398 1.00 0.74 H new ATOM 0 HH TYR A 127 -15.778 16.440 -2.505 1.00 0.84 H new ATOM 1765 N LEU A 128 -8.999 10.176 -2.293 1.00 0.49 N ATOM 1766 CA LEU A 128 -7.710 9.648 -1.845 1.00 0.49 C ATOM 1767 C LEU A 128 -6.687 9.596 -2.978 1.00 0.53 C ATOM 1768 O LEU A 128 -5.481 9.620 -2.729 1.00 0.69 O ATOM 1769 CB LEU A 128 -7.879 8.244 -1.252 1.00 0.46 C ATOM 1770 CG LEU A 128 -8.695 8.161 0.043 1.00 0.42 C ATOM 1771 CD1 LEU A 128 -8.569 6.779 0.662 1.00 0.49 C ATOM 1772 CD2 LEU A 128 -8.265 9.234 1.032 1.00 0.44 C ATOM 0 H LEU A 128 -9.691 9.464 -2.528 1.00 0.49 H new ATOM 0 HA LEU A 128 -7.338 10.329 -1.080 1.00 0.49 H new ATOM 0 HB2 LEU A 128 -8.354 7.609 -2.000 1.00 0.46 H new ATOM 0 HB3 LEU A 128 -6.889 7.828 -1.063 1.00 0.46 H new ATOM 0 HG LEU A 128 -9.742 8.336 -0.205 1.00 0.42 H new ATOM 0 HD11 LEU A 128 -9.154 6.737 1.581 1.00 0.49 H new ATOM 0 HD12 LEU A 128 -8.940 6.031 -0.039 1.00 0.49 H new ATOM 0 HD13 LEU A 128 -7.522 6.576 0.889 1.00 0.49 H new ATOM 0 HD21 LEU A 128 -8.861 9.151 1.941 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -7.211 9.103 1.276 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -8.415 10.218 0.589 1.00 0.44 H new ATOM 1784 N ASN A 129 -7.159 9.536 -4.218 1.00 0.54 N ATOM 1785 CA ASN A 129 -6.252 9.452 -5.361 1.00 0.59 C ATOM 1786 C ASN A 129 -6.189 10.756 -6.154 1.00 0.65 C ATOM 1787 O ASN A 129 -5.165 11.068 -6.760 1.00 0.78 O ATOM 1788 CB ASN A 129 -6.658 8.293 -6.278 1.00 0.64 C ATOM 1789 CG ASN A 129 -6.282 6.937 -5.704 1.00 0.68 C ATOM 1790 OD1 ASN A 129 -5.181 6.432 -5.933 1.00 0.81 O ATOM 1791 ND2 ASN A 129 -7.197 6.333 -4.957 1.00 0.89 N ATOM 0 H ASN A 129 -8.150 9.544 -4.458 1.00 0.54 H new ATOM 0 HA ASN A 129 -5.253 9.269 -4.964 1.00 0.59 H new ATOM 0 HB2 ASN A 129 -7.734 8.327 -6.446 1.00 0.64 H new ATOM 0 HB3 ASN A 129 -6.180 8.418 -7.249 1.00 0.64 H new ATOM 0 HD21 ASN A 129 -7.000 5.419 -4.550 1.00 0.89 H new ATOM 0 HD22 ASN A 129 -8.097 6.783 -4.790 1.00 0.89 H new ATOM 1798 N ASN A 130 -7.277 11.514 -6.157 1.00 0.67 N ATOM 1799 CA ASN A 130 -7.320 12.776 -6.887 1.00 0.74 C ATOM 1800 C ASN A 130 -7.711 13.908 -5.948 1.00 0.80 C ATOM 1801 O ASN A 130 -8.885 14.327 -5.974 1.00 0.99 O ATOM 1802 CB ASN A 130 -8.318 12.710 -8.051 1.00 0.82 C ATOM 1803 CG ASN A 130 -8.082 11.524 -8.965 1.00 0.91 C ATOM 1804 OD1 ASN A 130 -7.099 11.476 -9.704 1.00 1.10 O ATOM 1805 ND2 ASN A 130 -8.993 10.565 -8.928 1.00 1.09 N ATOM 0 H ASN A 130 -8.139 11.279 -5.665 1.00 0.67 H new ATOM 0 HA ASN A 130 -6.326 12.962 -7.294 1.00 0.74 H new ATOM 0 HB2 ASN A 130 -9.331 12.658 -7.652 1.00 0.82 H new ATOM 0 HB3 ASN A 130 -8.251 13.629 -8.633 1.00 0.82 H new ATOM 0 HD21 ASN A 130 -8.895 9.745 -9.527 1.00 1.09 H new ATOM 0 HD22 ASN A 130 -9.793 10.645 -8.300 1.00 1.09 H new TER 1812 ASN A 130 ATOM 1813 N ALA B 26 37.840 -7.809 7.641 1.00 1.24 N ATOM 1814 CA ALA B 26 36.781 -7.267 8.520 1.00 1.15 C ATOM 1815 C ALA B 26 35.435 -7.285 7.805 1.00 1.06 C ATOM 1816 O ALA B 26 35.256 -6.601 6.796 1.00 1.08 O ATOM 1817 CB ALA B 26 37.127 -5.850 8.949 1.00 1.27 C ATOM 0 HA ALA B 26 36.712 -7.896 9.407 1.00 1.15 H new ATOM 0 HB1 ALA B 26 36.339 -5.463 9.595 1.00 1.27 H new ATOM 0 HB2 ALA B 26 38.072 -5.855 9.492 1.00 1.27 H new ATOM 0 HB3 ALA B 26 37.218 -5.215 8.068 1.00 1.27 H new ATOM 1825 N PRO B 27 34.471 -8.067 8.315 1.00 1.03 N ATOM 1826 CA PRO B 27 33.139 -8.164 7.710 1.00 0.98 C ATOM 1827 C PRO B 27 32.382 -6.836 7.775 1.00 0.96 C ATOM 1828 O PRO B 27 32.710 -5.961 8.585 1.00 1.05 O ATOM 1829 CB PRO B 27 32.438 -9.236 8.553 1.00 1.03 C ATOM 1830 CG PRO B 27 33.176 -9.269 9.844 1.00 1.15 C ATOM 1831 CD PRO B 27 34.597 -8.909 9.521 1.00 1.12 C ATOM 0 HA PRO B 27 33.185 -8.412 6.650 1.00 0.98 H new ATOM 0 HB2 PRO B 27 31.387 -8.990 8.707 1.00 1.03 H new ATOM 0 HB3 PRO B 27 32.468 -10.207 8.058 1.00 1.03 H new ATOM 0 HG2 PRO B 27 32.748 -8.564 10.556 1.00 1.15 H new ATOM 0 HG3 PRO B 27 33.119 -10.257 10.301 1.00 1.15 H new ATOM 0 HD2 PRO B 27 35.071 -8.369 10.341 1.00 1.12 H new ATOM 0 HD3 PRO B 27 35.203 -9.795 9.331 1.00 1.12 H new ATOM 1839 N ALA B 28 31.380 -6.687 6.919 1.00 0.95 N ATOM 1840 CA ALA B 28 30.592 -5.462 6.875 1.00 0.96 C ATOM 1841 C ALA B 28 29.103 -5.766 6.756 1.00 0.90 C ATOM 1842 O ALA B 28 28.347 -4.978 6.182 1.00 0.88 O ATOM 1843 CB ALA B 28 31.049 -4.592 5.712 1.00 1.04 C ATOM 0 H ALA B 28 31.094 -7.398 6.246 1.00 0.95 H new ATOM 0 HA ALA B 28 30.748 -4.923 7.809 1.00 0.96 H new ATOM 0 HB1 ALA B 28 30.455 -3.678 5.686 1.00 1.04 H new ATOM 0 HB2 ALA B 28 32.101 -4.337 5.839 1.00 1.04 H new ATOM 0 HB3 ALA B 28 30.918 -5.137 4.777 1.00 1.04 H new ATOM 1849 N GLU B 29 28.697 -6.908 7.318 1.00 0.93 N ATOM 1850 CA GLU B 29 27.302 -7.357 7.294 1.00 0.90 C ATOM 1851 C GLU B 29 26.768 -7.424 5.861 1.00 0.85 C ATOM 1852 O GLU B 29 26.108 -6.498 5.386 1.00 0.82 O ATOM 1853 CB GLU B 29 26.418 -6.447 8.154 1.00 0.91 C ATOM 1854 CG GLU B 29 26.828 -6.416 9.619 1.00 1.14 C ATOM 1855 CD GLU B 29 25.692 -6.036 10.542 1.00 1.10 C ATOM 1856 OE1 GLU B 29 24.802 -6.883 10.775 1.00 1.29 O ATOM 1857 OE2 GLU B 29 25.684 -4.897 11.058 1.00 1.30 O ATOM 0 H GLU B 29 29.327 -7.548 7.803 1.00 0.93 H new ATOM 0 HA GLU B 29 27.271 -8.362 7.715 1.00 0.90 H new ATOM 0 HB2 GLU B 29 26.453 -5.434 7.753 1.00 0.91 H new ATOM 0 HB3 GLU B 29 25.384 -6.783 8.081 1.00 0.91 H new ATOM 0 HG2 GLU B 29 27.209 -7.396 9.905 1.00 1.14 H new ATOM 0 HG3 GLU B 29 27.646 -5.707 9.747 1.00 1.14 H new ATOM 1864 N PRO B 30 27.035 -8.539 5.162 1.00 0.88 N ATOM 1865 CA PRO B 30 26.601 -8.731 3.777 1.00 0.88 C ATOM 1866 C PRO B 30 25.126 -9.111 3.656 1.00 0.82 C ATOM 1867 O PRO B 30 24.707 -9.710 2.661 1.00 0.85 O ATOM 1868 CB PRO B 30 27.490 -9.870 3.290 1.00 1.00 C ATOM 1869 CG PRO B 30 27.815 -10.661 4.509 1.00 1.07 C ATOM 1870 CD PRO B 30 27.788 -9.701 5.672 1.00 0.98 C ATOM 0 HA PRO B 30 26.692 -7.813 3.196 1.00 0.88 H new ATOM 0 HB2 PRO B 30 26.975 -10.482 2.549 1.00 1.00 H new ATOM 0 HB3 PRO B 30 28.394 -9.488 2.816 1.00 1.00 H new ATOM 0 HG2 PRO B 30 27.092 -11.463 4.653 1.00 1.07 H new ATOM 0 HG3 PRO B 30 28.795 -11.129 4.416 1.00 1.07 H new ATOM 0 HD2 PRO B 30 27.300 -10.142 6.541 1.00 0.98 H new ATOM 0 HD3 PRO B 30 28.795 -9.420 5.980 1.00 0.98 H new ATOM 1878 N LYS B 31 24.338 -8.764 4.665 1.00 0.78 N ATOM 1879 CA LYS B 31 22.915 -9.053 4.645 1.00 0.74 C ATOM 1880 C LYS B 31 22.199 -7.987 3.835 1.00 0.69 C ATOM 1881 O LYS B 31 21.590 -7.067 4.379 1.00 0.73 O ATOM 1882 CB LYS B 31 22.345 -9.122 6.062 1.00 0.76 C ATOM 1883 CG LYS B 31 21.721 -10.468 6.404 1.00 0.92 C ATOM 1884 CD LYS B 31 20.486 -10.750 5.559 1.00 1.11 C ATOM 1885 CE LYS B 31 20.695 -11.936 4.626 1.00 1.32 C ATOM 1886 NZ LYS B 31 20.790 -13.222 5.364 1.00 1.45 N ATOM 0 H LYS B 31 24.661 -8.283 5.504 1.00 0.78 H new ATOM 0 HA LYS B 31 22.761 -10.027 4.182 1.00 0.74 H new ATOM 0 HB2 LYS B 31 23.141 -8.908 6.775 1.00 0.76 H new ATOM 0 HB3 LYS B 31 21.593 -8.342 6.180 1.00 0.76 H new ATOM 0 HG2 LYS B 31 22.455 -11.259 6.250 1.00 0.92 H new ATOM 0 HG3 LYS B 31 21.451 -10.486 7.460 1.00 0.92 H new ATOM 0 HD2 LYS B 31 19.636 -10.948 6.213 1.00 1.11 H new ATOM 0 HD3 LYS B 31 20.238 -9.866 4.972 1.00 1.11 H new ATOM 0 HE2 LYS B 31 19.870 -11.987 3.916 1.00 1.32 H new ATOM 0 HE3 LYS B 31 21.605 -11.784 4.046 1.00 1.32 H new ATOM 0 HZ1 LYS B 31 20.796 -14.011 4.687 1.00 1.45 H new ATOM 0 HZ2 LYS B 31 21.668 -13.238 5.922 1.00 1.45 H new ATOM 0 HZ3 LYS B 31 19.973 -13.318 6.001 1.00 1.45 H new ATOM 1900 N ILE B 32 22.320 -8.103 2.524 1.00 0.68 N ATOM 1901 CA ILE B 32 21.712 -7.162 1.601 1.00 0.66 C ATOM 1902 C ILE B 32 20.245 -7.496 1.367 1.00 0.62 C ATOM 1903 O ILE B 32 19.899 -8.625 1.003 1.00 0.67 O ATOM 1904 CB ILE B 32 22.469 -7.151 0.257 1.00 0.71 C ATOM 1905 CG1 ILE B 32 23.922 -6.710 0.478 1.00 0.88 C ATOM 1906 CG2 ILE B 32 21.781 -6.241 -0.748 1.00 0.80 C ATOM 1907 CD1 ILE B 32 24.812 -6.896 -0.736 1.00 1.20 C ATOM 0 H ILE B 32 22.842 -8.852 2.070 1.00 0.68 H new ATOM 0 HA ILE B 32 21.774 -6.170 2.049 1.00 0.66 H new ATOM 0 HB ILE B 32 22.465 -8.162 -0.151 1.00 0.71 H new ATOM 0 HG12 ILE B 32 23.933 -5.659 0.766 1.00 0.88 H new ATOM 0 HG13 ILE B 32 24.340 -7.274 1.312 1.00 0.88 H new ATOM 0 HG21 ILE B 32 22.335 -6.251 -1.687 1.00 0.80 H new ATOM 0 HG22 ILE B 32 20.765 -6.594 -0.922 1.00 0.80 H new ATOM 0 HG23 ILE B 32 21.750 -5.224 -0.356 1.00 0.80 H new ATOM 0 HD11 ILE B 32 25.823 -6.562 -0.501 1.00 1.20 H new ATOM 0 HD12 ILE B 32 24.834 -7.950 -1.013 1.00 1.20 H new ATOM 0 HD13 ILE B 32 24.420 -6.310 -1.568 1.00 1.20 H new ATOM 1919 N ILE B 33 19.391 -6.512 1.587 1.00 0.58 N ATOM 1920 CA ILE B 33 17.962 -6.679 1.404 1.00 0.56 C ATOM 1921 C ILE B 33 17.502 -5.989 0.126 1.00 0.54 C ATOM 1922 O ILE B 33 18.187 -5.108 -0.402 1.00 0.60 O ATOM 1923 CB ILE B 33 17.158 -6.133 2.605 1.00 0.56 C ATOM 1924 CG1 ILE B 33 17.564 -4.688 2.912 1.00 0.59 C ATOM 1925 CG2 ILE B 33 17.362 -7.022 3.824 1.00 0.67 C ATOM 1926 CD1 ILE B 33 16.683 -4.012 3.940 1.00 0.67 C ATOM 0 H ILE B 33 19.667 -5.580 1.896 1.00 0.58 H new ATOM 0 HA ILE B 33 17.773 -7.750 1.329 1.00 0.56 H new ATOM 0 HB ILE B 33 16.099 -6.140 2.347 1.00 0.56 H new ATOM 0 HG12 ILE B 33 18.595 -4.677 3.267 1.00 0.59 H new ATOM 0 HG13 ILE B 33 17.539 -4.109 1.989 1.00 0.59 H new ATOM 0 HG21 ILE B 33 16.790 -6.626 4.663 1.00 0.67 H new ATOM 0 HG22 ILE B 33 17.022 -8.033 3.598 1.00 0.67 H new ATOM 0 HG23 ILE B 33 18.420 -7.045 4.085 1.00 0.67 H new ATOM 0 HD11 ILE B 33 17.032 -2.993 4.105 1.00 0.67 H new ATOM 0 HD12 ILE B 33 15.655 -3.989 3.579 1.00 0.67 H new ATOM 0 HD13 ILE B 33 16.727 -4.566 4.877 1.00 0.67 H new ATOM 1938 N LYS B 34 16.342 -6.392 -0.364 1.00 0.53 N ATOM 1939 CA LYS B 34 15.788 -5.836 -1.589 1.00 0.53 C ATOM 1940 C LYS B 34 14.707 -4.810 -1.282 1.00 0.48 C ATOM 1941 O LYS B 34 13.836 -5.048 -0.446 1.00 0.57 O ATOM 1942 CB LYS B 34 15.208 -6.958 -2.449 1.00 0.58 C ATOM 1943 CG LYS B 34 16.191 -8.087 -2.712 1.00 0.76 C ATOM 1944 CD LYS B 34 15.490 -9.433 -2.819 1.00 0.87 C ATOM 1945 CE LYS B 34 14.640 -9.529 -4.075 1.00 1.07 C ATOM 1946 NZ LYS B 34 15.407 -9.164 -5.293 1.00 1.31 N ATOM 0 H LYS B 34 15.761 -7.108 0.071 1.00 0.53 H new ATOM 0 HA LYS B 34 16.590 -5.336 -2.133 1.00 0.53 H new ATOM 0 HB2 LYS B 34 14.324 -7.363 -1.956 1.00 0.58 H new ATOM 0 HB3 LYS B 34 14.880 -6.543 -3.402 1.00 0.58 H new ATOM 0 HG2 LYS B 34 16.736 -7.887 -3.634 1.00 0.76 H new ATOM 0 HG3 LYS B 34 16.927 -8.123 -1.908 1.00 0.76 H new ATOM 0 HD2 LYS B 34 16.233 -10.230 -2.821 1.00 0.87 H new ATOM 0 HD3 LYS B 34 14.861 -9.586 -1.942 1.00 0.87 H new ATOM 0 HE2 LYS B 34 14.258 -10.545 -4.178 1.00 1.07 H new ATOM 0 HE3 LYS B 34 13.776 -8.871 -3.980 1.00 1.07 H new ATOM 0 HZ1 LYS B 34 15.044 -9.701 -6.106 1.00 1.31 H new ATOM 0 HZ2 LYS B 34 15.303 -8.146 -5.476 1.00 1.31 H new ATOM 0 HZ3 LYS B 34 16.412 -9.389 -5.151 1.00 1.31 H new ATOM 1960 N VAL B 35 14.770 -3.673 -1.959 1.00 0.44 N ATOM 1961 CA VAL B 35 13.791 -2.613 -1.761 1.00 0.41 C ATOM 1962 C VAL B 35 13.193 -2.183 -3.097 1.00 0.42 C ATOM 1963 O VAL B 35 13.895 -1.685 -3.981 1.00 0.45 O ATOM 1964 CB VAL B 35 14.408 -1.395 -1.028 1.00 0.40 C ATOM 1965 CG1 VAL B 35 15.759 -1.025 -1.617 1.00 0.42 C ATOM 1966 CG2 VAL B 35 13.464 -0.200 -1.064 1.00 0.40 C ATOM 0 H VAL B 35 15.489 -3.460 -2.651 1.00 0.44 H new ATOM 0 HA VAL B 35 12.996 -3.011 -1.130 1.00 0.41 H new ATOM 0 HB VAL B 35 14.560 -1.680 0.013 1.00 0.40 H new ATOM 0 HG11 VAL B 35 16.167 -0.167 -1.082 1.00 0.42 H new ATOM 0 HG12 VAL B 35 16.441 -1.870 -1.522 1.00 0.42 H new ATOM 0 HG13 VAL B 35 15.640 -0.772 -2.671 1.00 0.42 H new ATOM 0 HG21 VAL B 35 13.921 0.641 -0.543 1.00 0.40 H new ATOM 0 HG22 VAL B 35 13.268 0.078 -2.100 1.00 0.40 H new ATOM 0 HG23 VAL B 35 12.526 -0.463 -0.576 1.00 0.40 H new ATOM 1976 N THR B 36 11.896 -2.406 -3.245 1.00 0.41 N ATOM 1977 CA THR B 36 11.189 -2.045 -4.459 1.00 0.43 C ATOM 1978 C THR B 36 10.579 -0.652 -4.314 1.00 0.39 C ATOM 1979 O THR B 36 9.641 -0.448 -3.543 1.00 0.40 O ATOM 1980 CB THR B 36 10.090 -3.077 -4.773 1.00 0.48 C ATOM 1981 OG1 THR B 36 10.537 -4.392 -4.406 1.00 0.56 O ATOM 1982 CG2 THR B 36 9.730 -3.059 -6.250 1.00 0.57 C ATOM 0 H THR B 36 11.310 -2.839 -2.531 1.00 0.41 H new ATOM 0 HA THR B 36 11.899 -2.037 -5.286 1.00 0.43 H new ATOM 0 HB THR B 36 9.203 -2.814 -4.197 1.00 0.48 H new ATOM 0 HG1 THR B 36 11.088 -4.763 -5.126 1.00 0.56 H new ATOM 0 HG21 THR B 36 8.952 -3.797 -6.444 1.00 0.57 H new ATOM 0 HG22 THR B 36 9.367 -2.068 -6.524 1.00 0.57 H new ATOM 0 HG23 THR B 36 10.613 -3.298 -6.843 1.00 0.57 H new ATOM 1990 N VAL B 37 11.117 0.301 -5.057 1.00 0.41 N ATOM 1991 CA VAL B 37 10.651 1.678 -4.981 1.00 0.40 C ATOM 1992 C VAL B 37 9.666 2.009 -6.099 1.00 0.43 C ATOM 1993 O VAL B 37 9.942 1.780 -7.276 1.00 0.51 O ATOM 1994 CB VAL B 37 11.834 2.672 -5.047 1.00 0.46 C ATOM 1995 CG1 VAL B 37 11.350 4.109 -4.911 1.00 0.52 C ATOM 1996 CG2 VAL B 37 12.865 2.350 -3.973 1.00 0.46 C ATOM 0 H VAL B 37 11.877 0.148 -5.720 1.00 0.41 H new ATOM 0 HA VAL B 37 10.142 1.778 -4.023 1.00 0.40 H new ATOM 0 HB VAL B 37 12.307 2.567 -6.023 1.00 0.46 H new ATOM 0 HG11 VAL B 37 12.203 4.786 -4.961 1.00 0.52 H new ATOM 0 HG12 VAL B 37 10.657 4.338 -5.721 1.00 0.52 H new ATOM 0 HG13 VAL B 37 10.843 4.233 -3.954 1.00 0.52 H new ATOM 0 HG21 VAL B 37 13.690 3.060 -4.036 1.00 0.46 H new ATOM 0 HG22 VAL B 37 12.400 2.420 -2.990 1.00 0.46 H new ATOM 0 HG23 VAL B 37 13.244 1.339 -4.124 1.00 0.46 H new ATOM 2006 N LYS B 38 8.519 2.549 -5.715 1.00 0.41 N ATOM 2007 CA LYS B 38 7.495 2.948 -6.673 1.00 0.46 C ATOM 2008 C LYS B 38 7.672 4.422 -7.019 1.00 0.50 C ATOM 2009 O LYS B 38 7.574 5.288 -6.143 1.00 0.63 O ATOM 2010 CB LYS B 38 6.096 2.715 -6.099 1.00 0.51 C ATOM 2011 CG LYS B 38 5.775 1.255 -5.812 1.00 0.65 C ATOM 2012 CD LYS B 38 4.392 1.098 -5.195 1.00 0.80 C ATOM 2013 CE LYS B 38 3.317 1.703 -6.082 1.00 1.18 C ATOM 2014 NZ LYS B 38 1.951 1.368 -5.604 1.00 1.38 N ATOM 0 H LYS B 38 8.272 2.722 -4.741 1.00 0.41 H new ATOM 0 HA LYS B 38 7.602 2.343 -7.573 1.00 0.46 H new ATOM 0 HB2 LYS B 38 5.994 3.286 -5.176 1.00 0.51 H new ATOM 0 HB3 LYS B 38 5.358 3.107 -6.799 1.00 0.51 H new ATOM 0 HG2 LYS B 38 5.829 0.681 -6.737 1.00 0.65 H new ATOM 0 HG3 LYS B 38 6.525 0.843 -5.137 1.00 0.65 H new ATOM 0 HD2 LYS B 38 4.181 0.041 -5.035 1.00 0.80 H new ATOM 0 HD3 LYS B 38 4.372 1.579 -4.217 1.00 0.80 H new ATOM 0 HE2 LYS B 38 3.436 2.786 -6.110 1.00 1.18 H new ATOM 0 HE3 LYS B 38 3.443 1.342 -7.103 1.00 1.18 H new ATOM 0 HZ1 LYS B 38 1.276 2.074 -5.960 1.00 1.38 H new ATOM 0 HZ2 LYS B 38 1.682 0.426 -5.953 1.00 1.38 H new ATOM 0 HZ3 LYS B 38 1.937 1.369 -4.564 1.00 1.38 H new ATOM 2028 N THR B 39 7.908 4.707 -8.290 1.00 0.55 N ATOM 2029 CA THR B 39 8.127 6.073 -8.738 1.00 0.60 C ATOM 2030 C THR B 39 7.116 6.458 -9.808 1.00 0.65 C ATOM 2031 O THR B 39 6.468 5.586 -10.391 1.00 0.67 O ATOM 2032 CB THR B 39 9.555 6.245 -9.309 1.00 0.64 C ATOM 2033 OG1 THR B 39 9.897 5.121 -10.129 1.00 0.78 O ATOM 2034 CG2 THR B 39 10.577 6.395 -8.192 1.00 0.68 C ATOM 0 H THR B 39 7.953 4.008 -9.032 1.00 0.55 H new ATOM 0 HA THR B 39 8.005 6.724 -7.873 1.00 0.60 H new ATOM 0 HB THR B 39 9.569 7.152 -9.913 1.00 0.64 H new ATOM 0 HG1 THR B 39 9.089 4.602 -10.327 1.00 0.78 H new ATOM 0 HG21 THR B 39 11.571 6.514 -8.622 1.00 0.68 H new ATOM 0 HG22 THR B 39 10.334 7.272 -7.592 1.00 0.68 H new ATOM 0 HG23 THR B 39 10.559 5.507 -7.561 1.00 0.68 H new ATOM 2042 N PRO B 40 6.941 7.768 -10.067 1.00 0.71 N ATOM 2043 CA PRO B 40 6.021 8.253 -11.104 1.00 0.78 C ATOM 2044 C PRO B 40 6.563 7.977 -12.506 1.00 0.81 C ATOM 2045 O PRO B 40 6.702 8.886 -13.326 1.00 0.87 O ATOM 2046 CB PRO B 40 5.956 9.761 -10.844 1.00 0.83 C ATOM 2047 CG PRO B 40 7.231 10.095 -10.156 1.00 0.85 C ATOM 2048 CD PRO B 40 7.603 8.880 -9.353 1.00 0.73 C ATOM 0 HA PRO B 40 5.049 7.762 -11.061 1.00 0.78 H new ATOM 0 HB2 PRO B 40 5.854 10.317 -11.776 1.00 0.83 H new ATOM 0 HB3 PRO B 40 5.096 10.017 -10.225 1.00 0.83 H new ATOM 0 HG2 PRO B 40 8.011 10.339 -10.878 1.00 0.85 H new ATOM 0 HG3 PRO B 40 7.109 10.966 -9.512 1.00 0.85 H new ATOM 0 HD2 PRO B 40 8.684 8.743 -9.313 1.00 0.73 H new ATOM 0 HD3 PRO B 40 7.253 8.959 -8.324 1.00 0.73 H new ATOM 2056 N LYS B 41 6.875 6.711 -12.760 1.00 0.82 N ATOM 2057 CA LYS B 41 7.415 6.280 -14.039 1.00 0.87 C ATOM 2058 C LYS B 41 7.504 4.757 -14.098 1.00 0.84 C ATOM 2059 O LYS B 41 6.894 4.121 -14.954 1.00 0.92 O ATOM 2060 CB LYS B 41 8.807 6.884 -14.263 1.00 0.93 C ATOM 2061 CG LYS B 41 9.273 6.834 -15.712 1.00 1.13 C ATOM 2062 CD LYS B 41 9.601 8.223 -16.238 1.00 1.21 C ATOM 2063 CE LYS B 41 10.854 8.780 -15.585 1.00 1.44 C ATOM 2064 NZ LYS B 41 10.853 10.265 -15.564 1.00 1.37 N ATOM 0 H LYS B 41 6.760 5.957 -12.083 1.00 0.82 H new ATOM 0 HA LYS B 41 6.744 6.627 -14.824 1.00 0.87 H new ATOM 0 HB2 LYS B 41 8.801 7.921 -13.929 1.00 0.93 H new ATOM 0 HB3 LYS B 41 9.528 6.353 -13.641 1.00 0.93 H new ATOM 0 HG2 LYS B 41 10.153 6.196 -15.791 1.00 1.13 H new ATOM 0 HG3 LYS B 41 8.497 6.383 -16.330 1.00 1.13 H new ATOM 0 HD2 LYS B 41 9.739 8.181 -17.318 1.00 1.21 H new ATOM 0 HD3 LYS B 41 8.762 8.893 -16.050 1.00 1.21 H new ATOM 0 HE2 LYS B 41 10.931 8.402 -14.565 1.00 1.44 H new ATOM 0 HE3 LYS B 41 11.733 8.425 -16.123 1.00 1.44 H new ATOM 0 HZ1 LYS B 41 11.724 10.606 -15.111 1.00 1.37 H new ATOM 0 HZ2 LYS B 41 10.805 10.626 -16.538 1.00 1.37 H new ATOM 0 HZ3 LYS B 41 10.028 10.604 -15.029 1.00 1.37 H new ATOM 2078 N GLU B 42 8.262 4.178 -13.170 1.00 0.77 N ATOM 2079 CA GLU B 42 8.448 2.734 -13.118 1.00 0.75 C ATOM 2080 C GLU B 42 8.476 2.233 -11.676 1.00 0.70 C ATOM 2081 O GLU B 42 8.073 2.940 -10.749 1.00 0.73 O ATOM 2082 CB GLU B 42 9.754 2.350 -13.824 1.00 0.83 C ATOM 2083 CG GLU B 42 9.659 2.368 -15.341 1.00 1.03 C ATOM 2084 CD GLU B 42 10.674 1.458 -16.002 1.00 1.08 C ATOM 2085 OE1 GLU B 42 11.370 0.705 -15.284 1.00 1.28 O ATOM 2086 OE2 GLU B 42 10.775 1.484 -17.248 1.00 1.41 O ATOM 0 H GLU B 42 8.759 4.691 -12.442 1.00 0.77 H new ATOM 0 HA GLU B 42 7.605 2.266 -13.627 1.00 0.75 H new ATOM 0 HB2 GLU B 42 10.541 3.036 -13.510 1.00 0.83 H new ATOM 0 HB3 GLU B 42 10.052 1.353 -13.500 1.00 0.83 H new ATOM 0 HG2 GLU B 42 8.656 2.065 -15.642 1.00 1.03 H new ATOM 0 HG3 GLU B 42 9.805 3.388 -15.698 1.00 1.03 H new ATOM 2093 N LYS B 43 8.953 1.011 -11.501 1.00 0.68 N ATOM 2094 CA LYS B 43 9.054 0.394 -10.190 1.00 0.64 C ATOM 2095 C LYS B 43 10.389 -0.343 -10.081 1.00 0.63 C ATOM 2096 O LYS B 43 10.445 -1.573 -10.083 1.00 0.74 O ATOM 2097 CB LYS B 43 7.884 -0.569 -9.971 1.00 0.67 C ATOM 2098 CG LYS B 43 7.765 -1.084 -8.544 1.00 0.67 C ATOM 2099 CD LYS B 43 6.633 -2.092 -8.399 1.00 0.74 C ATOM 2100 CE LYS B 43 6.909 -3.371 -9.181 1.00 0.83 C ATOM 2101 NZ LYS B 43 5.772 -4.325 -9.112 1.00 0.98 N ATOM 0 H LYS B 43 9.281 0.420 -12.265 1.00 0.68 H new ATOM 0 HA LYS B 43 9.010 1.163 -9.419 1.00 0.64 H new ATOM 0 HB2 LYS B 43 6.956 -0.065 -10.243 1.00 0.67 H new ATOM 0 HB3 LYS B 43 7.995 -1.419 -10.645 1.00 0.67 H new ATOM 0 HG2 LYS B 43 8.705 -1.548 -8.245 1.00 0.67 H new ATOM 0 HG3 LYS B 43 7.594 -0.246 -7.868 1.00 0.67 H new ATOM 0 HD2 LYS B 43 6.494 -2.333 -7.345 1.00 0.74 H new ATOM 0 HD3 LYS B 43 5.702 -1.646 -8.749 1.00 0.74 H new ATOM 0 HE2 LYS B 43 7.110 -3.122 -10.223 1.00 0.83 H new ATOM 0 HE3 LYS B 43 7.807 -3.849 -8.789 1.00 0.83 H new ATOM 0 HZ1 LYS B 43 6.003 -5.180 -9.657 1.00 0.98 H new ATOM 0 HZ2 LYS B 43 5.596 -4.584 -8.120 1.00 0.98 H new ATOM 0 HZ3 LYS B 43 4.921 -3.880 -9.510 1.00 0.98 H new ATOM 2115 N GLU B 44 11.464 0.428 -10.016 1.00 0.59 N ATOM 2116 CA GLU B 44 12.810 -0.124 -9.924 1.00 0.60 C ATOM 2117 C GLU B 44 13.080 -0.694 -8.534 1.00 0.56 C ATOM 2118 O GLU B 44 12.571 -0.187 -7.531 1.00 0.60 O ATOM 2119 CB GLU B 44 13.843 0.955 -10.251 1.00 0.64 C ATOM 2120 CG GLU B 44 15.114 0.413 -10.889 1.00 0.81 C ATOM 2121 CD GLU B 44 14.888 -0.110 -12.295 1.00 1.02 C ATOM 2122 OE1 GLU B 44 14.566 -1.307 -12.447 1.00 1.24 O ATOM 2123 OE2 GLU B 44 15.046 0.670 -13.256 1.00 1.21 O ATOM 0 H GLU B 44 11.430 1.447 -10.025 1.00 0.59 H new ATOM 0 HA GLU B 44 12.891 -0.935 -10.647 1.00 0.60 H new ATOM 0 HB2 GLU B 44 13.392 1.685 -10.924 1.00 0.64 H new ATOM 0 HB3 GLU B 44 14.104 1.485 -9.335 1.00 0.64 H new ATOM 0 HG2 GLU B 44 15.866 1.201 -10.916 1.00 0.81 H new ATOM 0 HG3 GLU B 44 15.514 -0.388 -10.268 1.00 0.81 H new ATOM 2130 N GLU B 45 13.882 -1.748 -8.481 1.00 0.56 N ATOM 2131 CA GLU B 45 14.228 -2.388 -7.223 1.00 0.53 C ATOM 2132 C GLU B 45 15.723 -2.248 -6.966 1.00 0.55 C ATOM 2133 O GLU B 45 16.536 -2.442 -7.873 1.00 0.64 O ATOM 2134 CB GLU B 45 13.826 -3.865 -7.244 1.00 0.57 C ATOM 2135 CG GLU B 45 13.829 -4.519 -5.871 1.00 0.58 C ATOM 2136 CD GLU B 45 13.492 -5.990 -5.931 1.00 0.76 C ATOM 2137 OE1 GLU B 45 12.292 -6.334 -5.883 1.00 0.94 O ATOM 2138 OE2 GLU B 45 14.424 -6.815 -6.028 1.00 0.99 O ATOM 0 H GLU B 45 14.307 -2.179 -9.302 1.00 0.56 H new ATOM 0 HA GLU B 45 13.683 -1.897 -6.417 1.00 0.53 H new ATOM 0 HB2 GLU B 45 12.830 -3.955 -7.677 1.00 0.57 H new ATOM 0 HB3 GLU B 45 14.508 -4.409 -7.897 1.00 0.57 H new ATOM 0 HG2 GLU B 45 14.810 -4.393 -5.414 1.00 0.58 H new ATOM 0 HG3 GLU B 45 13.110 -4.011 -5.228 1.00 0.58 H new ATOM 2145 N PHE B 46 16.079 -1.903 -5.740 1.00 0.51 N ATOM 2146 CA PHE B 46 17.475 -1.724 -5.371 1.00 0.54 C ATOM 2147 C PHE B 46 17.876 -2.708 -4.278 1.00 0.54 C ATOM 2148 O PHE B 46 17.022 -3.368 -3.679 1.00 0.54 O ATOM 2149 CB PHE B 46 17.727 -0.284 -4.899 1.00 0.53 C ATOM 2150 CG PHE B 46 17.491 0.752 -5.962 1.00 0.58 C ATOM 2151 CD1 PHE B 46 18.486 1.071 -6.872 1.00 0.78 C ATOM 2152 CD2 PHE B 46 16.271 1.407 -6.055 1.00 0.72 C ATOM 2153 CE1 PHE B 46 18.271 2.022 -7.853 1.00 0.90 C ATOM 2154 CE2 PHE B 46 16.050 2.357 -7.034 1.00 0.85 C ATOM 2155 CZ PHE B 46 17.051 2.664 -7.934 1.00 0.87 C ATOM 0 H PHE B 46 15.418 -1.741 -4.980 1.00 0.51 H new ATOM 0 HA PHE B 46 18.085 -1.917 -6.254 1.00 0.54 H new ATOM 0 HB2 PHE B 46 17.080 -0.072 -4.048 1.00 0.53 H new ATOM 0 HB3 PHE B 46 18.755 -0.202 -4.546 1.00 0.53 H new ATOM 0 HD1 PHE B 46 19.441 0.571 -6.815 1.00 0.78 H new ATOM 0 HD2 PHE B 46 15.484 1.171 -5.353 1.00 0.72 H new ATOM 0 HE1 PHE B 46 19.056 2.262 -8.555 1.00 0.90 H new ATOM 0 HE2 PHE B 46 15.096 2.859 -7.095 1.00 0.85 H new ATOM 0 HZ PHE B 46 16.880 3.405 -8.701 1.00 0.87 H new ATOM 2165 N ALA B 47 19.172 -2.801 -4.026 1.00 0.57 N ATOM 2166 CA ALA B 47 19.703 -3.693 -3.010 1.00 0.60 C ATOM 2167 C ALA B 47 20.600 -2.923 -2.046 1.00 0.60 C ATOM 2168 O ALA B 47 21.586 -2.306 -2.461 1.00 0.66 O ATOM 2169 CB ALA B 47 20.469 -4.830 -3.667 1.00 0.69 C ATOM 0 H ALA B 47 19.883 -2.261 -4.519 1.00 0.57 H new ATOM 0 HA ALA B 47 18.875 -4.116 -2.441 1.00 0.60 H new ATOM 0 HB1 ALA B 47 20.864 -5.494 -2.898 1.00 0.69 H new ATOM 0 HB2 ALA B 47 19.800 -5.389 -4.321 1.00 0.69 H new ATOM 0 HB3 ALA B 47 21.293 -4.423 -4.253 1.00 0.69 H new ATOM 2175 N VAL B 48 20.263 -2.966 -0.761 1.00 0.57 N ATOM 2176 CA VAL B 48 21.025 -2.252 0.259 1.00 0.59 C ATOM 2177 C VAL B 48 21.296 -3.140 1.476 1.00 0.58 C ATOM 2178 O VAL B 48 20.522 -4.051 1.766 1.00 0.57 O ATOM 2179 CB VAL B 48 20.290 -0.973 0.723 1.00 0.59 C ATOM 2180 CG1 VAL B 48 20.332 0.097 -0.358 1.00 0.66 C ATOM 2181 CG2 VAL B 48 18.855 -1.289 1.112 1.00 0.56 C ATOM 0 H VAL B 48 19.465 -3.489 -0.400 1.00 0.57 H new ATOM 0 HA VAL B 48 21.973 -1.972 -0.199 1.00 0.59 H new ATOM 0 HB VAL B 48 20.804 -0.586 1.603 1.00 0.59 H new ATOM 0 HG11 VAL B 48 19.809 0.987 -0.009 1.00 0.66 H new ATOM 0 HG12 VAL B 48 21.369 0.349 -0.580 1.00 0.66 H new ATOM 0 HG13 VAL B 48 19.848 -0.278 -1.260 1.00 0.66 H new ATOM 0 HG21 VAL B 48 18.356 -0.375 1.435 1.00 0.56 H new ATOM 0 HG22 VAL B 48 18.329 -1.706 0.253 1.00 0.56 H new ATOM 0 HG23 VAL B 48 18.850 -2.013 1.927 1.00 0.56 H new ATOM 2191 N PRO B 49 22.411 -2.895 2.192 1.00 0.62 N ATOM 2192 CA PRO B 49 22.776 -3.667 3.385 1.00 0.63 C ATOM 2193 C PRO B 49 21.852 -3.383 4.572 1.00 0.60 C ATOM 2194 O PRO B 49 21.156 -2.366 4.605 1.00 0.61 O ATOM 2195 CB PRO B 49 24.205 -3.208 3.703 1.00 0.69 C ATOM 2196 CG PRO B 49 24.657 -2.418 2.520 1.00 0.79 C ATOM 2197 CD PRO B 49 23.415 -1.861 1.892 1.00 0.67 C ATOM 0 HA PRO B 49 22.692 -4.739 3.205 1.00 0.63 H new ATOM 0 HB2 PRO B 49 24.227 -2.602 4.609 1.00 0.69 H new ATOM 0 HB3 PRO B 49 24.860 -4.062 3.875 1.00 0.69 H new ATOM 0 HG2 PRO B 49 25.334 -1.618 2.821 1.00 0.79 H new ATOM 0 HG3 PRO B 49 25.201 -3.048 1.816 1.00 0.79 H new ATOM 0 HD2 PRO B 49 23.143 -0.896 2.319 1.00 0.67 H new ATOM 0 HD3 PRO B 49 23.535 -1.712 0.819 1.00 0.67 H new ATOM 2205 N GLU B 50 21.861 -4.286 5.545 1.00 0.61 N ATOM 2206 CA GLU B 50 21.029 -4.156 6.737 1.00 0.61 C ATOM 2207 C GLU B 50 21.562 -3.080 7.687 1.00 0.67 C ATOM 2208 O GLU B 50 20.803 -2.463 8.435 1.00 1.01 O ATOM 2209 CB GLU B 50 20.958 -5.508 7.460 1.00 0.68 C ATOM 2210 CG GLU B 50 20.002 -5.526 8.641 1.00 0.86 C ATOM 2211 CD GLU B 50 20.033 -6.834 9.404 1.00 0.93 C ATOM 2212 OE1 GLU B 50 21.139 -7.352 9.667 1.00 1.12 O ATOM 2213 OE2 GLU B 50 18.945 -7.344 9.761 1.00 1.08 O ATOM 0 H GLU B 50 22.441 -5.125 5.532 1.00 0.61 H new ATOM 0 HA GLU B 50 20.031 -3.850 6.423 1.00 0.61 H new ATOM 0 HB2 GLU B 50 20.654 -6.274 6.747 1.00 0.68 H new ATOM 0 HB3 GLU B 50 21.956 -5.775 7.809 1.00 0.68 H new ATOM 0 HG2 GLU B 50 20.254 -4.710 9.318 1.00 0.86 H new ATOM 0 HG3 GLU B 50 18.988 -5.343 8.284 1.00 0.86 H new ATOM 2220 N ASN B 51 22.864 -2.849 7.650 1.00 0.67 N ATOM 2221 CA ASN B 51 23.492 -1.857 8.520 1.00 0.69 C ATOM 2222 C ASN B 51 23.704 -0.527 7.796 1.00 0.71 C ATOM 2223 O ASN B 51 24.763 0.098 7.906 1.00 0.96 O ATOM 2224 CB ASN B 51 24.824 -2.392 9.066 1.00 0.76 C ATOM 2225 CG ASN B 51 25.874 -2.636 7.992 1.00 0.86 C ATOM 2226 OD1 ASN B 51 25.553 -2.920 6.836 1.00 0.87 O ATOM 2227 ND2 ASN B 51 27.139 -2.533 8.374 1.00 1.20 N ATOM 0 H ASN B 51 23.511 -3.333 7.028 1.00 0.67 H new ATOM 0 HA ASN B 51 22.817 -1.673 9.356 1.00 0.69 H new ATOM 0 HB2 ASN B 51 25.219 -1.682 9.793 1.00 0.76 H new ATOM 0 HB3 ASN B 51 24.639 -3.325 9.599 1.00 0.76 H new ATOM 0 HD21 ASN B 51 27.889 -2.691 7.701 1.00 1.20 H new ATOM 0 HD22 ASN B 51 27.362 -2.296 9.341 1.00 1.20 H new ATOM 2234 N SER B 52 22.684 -0.087 7.076 1.00 0.65 N ATOM 2235 CA SER B 52 22.760 1.165 6.339 1.00 0.67 C ATOM 2236 C SER B 52 21.884 2.242 6.968 1.00 0.63 C ATOM 2237 O SER B 52 21.081 1.969 7.865 1.00 0.68 O ATOM 2238 CB SER B 52 22.356 0.947 4.883 1.00 0.71 C ATOM 2239 OG SER B 52 23.392 0.310 4.160 1.00 0.86 O ATOM 0 H SER B 52 21.794 -0.578 6.986 1.00 0.65 H new ATOM 0 HA SER B 52 23.794 1.509 6.379 1.00 0.67 H new ATOM 0 HB2 SER B 52 21.451 0.341 4.840 1.00 0.71 H new ATOM 0 HB3 SER B 52 22.120 1.905 4.420 1.00 0.71 H new ATOM 0 HG SER B 52 23.620 0.848 3.373 1.00 0.86 H new ATOM 2245 N SER B 53 22.058 3.471 6.498 1.00 0.65 N ATOM 2246 CA SER B 53 21.294 4.601 6.995 1.00 0.64 C ATOM 2247 C SER B 53 20.332 5.109 5.919 1.00 0.57 C ATOM 2248 O SER B 53 20.506 4.825 4.733 1.00 0.58 O ATOM 2249 CB SER B 53 22.248 5.715 7.426 1.00 0.75 C ATOM 2250 OG SER B 53 23.384 5.176 8.088 1.00 0.89 O ATOM 0 H SER B 53 22.728 3.708 5.767 1.00 0.65 H new ATOM 0 HA SER B 53 20.706 4.283 7.856 1.00 0.64 H new ATOM 0 HB2 SER B 53 22.566 6.286 6.554 1.00 0.75 H new ATOM 0 HB3 SER B 53 21.730 6.408 8.089 1.00 0.75 H new ATOM 0 HG SER B 53 23.983 5.904 8.355 1.00 0.89 H new ATOM 2256 N VAL B 54 19.320 5.857 6.335 1.00 0.54 N ATOM 2257 CA VAL B 54 18.330 6.396 5.408 1.00 0.49 C ATOM 2258 C VAL B 54 18.935 7.473 4.514 1.00 0.48 C ATOM 2259 O VAL B 54 18.721 7.475 3.299 1.00 0.47 O ATOM 2260 CB VAL B 54 17.108 6.967 6.163 1.00 0.52 C ATOM 2261 CG1 VAL B 54 16.238 7.821 5.252 1.00 0.57 C ATOM 2262 CG2 VAL B 54 16.289 5.834 6.756 1.00 0.58 C ATOM 0 H VAL B 54 19.161 6.106 7.311 1.00 0.54 H new ATOM 0 HA VAL B 54 17.997 5.570 4.780 1.00 0.49 H new ATOM 0 HB VAL B 54 17.477 7.606 6.965 1.00 0.52 H new ATOM 0 HG11 VAL B 54 15.388 8.206 5.816 1.00 0.57 H new ATOM 0 HG12 VAL B 54 16.824 8.655 4.866 1.00 0.57 H new ATOM 0 HG13 VAL B 54 15.877 7.215 4.421 1.00 0.57 H new ATOM 0 HG21 VAL B 54 15.430 6.245 7.286 1.00 0.58 H new ATOM 0 HG22 VAL B 54 15.943 5.178 5.957 1.00 0.58 H new ATOM 0 HG23 VAL B 54 16.906 5.264 7.451 1.00 0.58 H new ATOM 2272 N GLN B 55 19.703 8.373 5.119 1.00 0.53 N ATOM 2273 CA GLN B 55 20.340 9.467 4.388 1.00 0.58 C ATOM 2274 C GLN B 55 21.164 8.947 3.211 1.00 0.58 C ATOM 2275 O GLN B 55 21.157 9.531 2.127 1.00 0.64 O ATOM 2276 CB GLN B 55 21.222 10.282 5.336 1.00 0.67 C ATOM 2277 CG GLN B 55 20.442 10.972 6.442 1.00 0.88 C ATOM 2278 CD GLN B 55 21.334 11.644 7.467 1.00 0.92 C ATOM 2279 OE1 GLN B 55 21.746 12.791 7.294 1.00 1.13 O ATOM 2280 NE2 GLN B 55 21.634 10.940 8.547 1.00 1.23 N ATOM 0 H GLN B 55 19.901 8.367 6.120 1.00 0.53 H new ATOM 0 HA GLN B 55 19.556 10.108 3.985 1.00 0.58 H new ATOM 0 HB2 GLN B 55 21.967 9.624 5.783 1.00 0.67 H new ATOM 0 HB3 GLN B 55 21.764 11.033 4.761 1.00 0.67 H new ATOM 0 HG2 GLN B 55 19.780 11.717 6.001 1.00 0.88 H new ATOM 0 HG3 GLN B 55 19.809 10.240 6.944 1.00 0.88 H new ATOM 0 HE21 GLN B 55 21.273 9.992 8.654 1.00 1.23 H new ATOM 0 HE22 GLN B 55 22.226 11.346 9.272 1.00 1.23 H new ATOM 2289 N GLN B 56 21.854 7.834 3.433 1.00 0.56 N ATOM 2290 CA GLN B 56 22.688 7.219 2.406 1.00 0.60 C ATOM 2291 C GLN B 56 21.850 6.801 1.199 1.00 0.55 C ATOM 2292 O GLN B 56 22.191 7.112 0.054 1.00 0.62 O ATOM 2293 CB GLN B 56 23.401 5.994 2.978 1.00 0.65 C ATOM 2294 CG GLN B 56 24.832 5.827 2.490 1.00 0.80 C ATOM 2295 CD GLN B 56 25.810 6.694 3.251 1.00 1.02 C ATOM 2296 OE1 GLN B 56 26.262 6.332 4.336 1.00 1.35 O ATOM 2297 NE2 GLN B 56 26.150 7.839 2.690 1.00 1.27 N ATOM 0 H GLN B 56 21.852 7.335 4.323 1.00 0.56 H new ATOM 0 HA GLN B 56 23.424 7.955 2.082 1.00 0.60 H new ATOM 0 HB2 GLN B 56 23.405 6.064 4.066 1.00 0.65 H new ATOM 0 HB3 GLN B 56 22.833 5.101 2.718 1.00 0.65 H new ATOM 0 HG2 GLN B 56 25.126 4.782 2.588 1.00 0.80 H new ATOM 0 HG3 GLN B 56 24.882 6.074 1.430 1.00 0.80 H new ATOM 0 HE21 GLN B 56 25.753 8.103 1.789 1.00 1.27 H new ATOM 0 HE22 GLN B 56 26.810 8.460 3.158 1.00 1.27 H new ATOM 2306 N PHE B 57 20.750 6.105 1.462 1.00 0.50 N ATOM 2307 CA PHE B 57 19.872 5.631 0.398 1.00 0.49 C ATOM 2308 C PHE B 57 19.179 6.794 -0.309 1.00 0.47 C ATOM 2309 O PHE B 57 19.029 6.777 -1.529 1.00 0.49 O ATOM 2310 CB PHE B 57 18.836 4.652 0.958 1.00 0.48 C ATOM 2311 CG PHE B 57 18.045 3.934 -0.103 1.00 0.50 C ATOM 2312 CD1 PHE B 57 18.687 3.300 -1.158 1.00 0.56 C ATOM 2313 CD2 PHE B 57 16.660 3.889 -0.043 1.00 0.53 C ATOM 2314 CE1 PHE B 57 17.963 2.640 -2.132 1.00 0.64 C ATOM 2315 CE2 PHE B 57 15.932 3.228 -1.014 1.00 0.59 C ATOM 2316 CZ PHE B 57 16.584 2.604 -2.059 1.00 0.64 C ATOM 0 H PHE B 57 20.445 5.856 2.403 1.00 0.50 H new ATOM 0 HA PHE B 57 20.486 5.111 -0.337 1.00 0.49 H new ATOM 0 HB2 PHE B 57 19.345 3.915 1.580 1.00 0.48 H new ATOM 0 HB3 PHE B 57 18.148 5.196 1.606 1.00 0.48 H new ATOM 0 HD1 PHE B 57 19.765 3.323 -1.218 1.00 0.56 H new ATOM 0 HD2 PHE B 57 16.145 4.376 0.772 1.00 0.53 H new ATOM 0 HE1 PHE B 57 18.474 2.153 -2.949 1.00 0.64 H new ATOM 0 HE2 PHE B 57 14.854 3.200 -0.956 1.00 0.59 H new ATOM 0 HZ PHE B 57 16.016 2.088 -2.819 1.00 0.64 H new ATOM 2326 N LYS B 58 18.766 7.801 0.455 1.00 0.47 N ATOM 2327 CA LYS B 58 18.094 8.969 -0.119 1.00 0.48 C ATOM 2328 C LYS B 58 18.980 9.636 -1.166 1.00 0.49 C ATOM 2329 O LYS B 58 18.519 9.983 -2.252 1.00 0.53 O ATOM 2330 CB LYS B 58 17.732 9.978 0.973 1.00 0.53 C ATOM 2331 CG LYS B 58 16.561 9.550 1.843 1.00 0.62 C ATOM 2332 CD LYS B 58 16.245 10.585 2.917 1.00 0.70 C ATOM 2333 CE LYS B 58 15.642 11.847 2.321 1.00 0.77 C ATOM 2334 NZ LYS B 58 16.573 13.000 2.397 1.00 1.01 N ATOM 0 H LYS B 58 18.883 7.835 1.468 1.00 0.47 H new ATOM 0 HA LYS B 58 17.176 8.627 -0.598 1.00 0.48 H new ATOM 0 HB2 LYS B 58 18.603 10.140 1.608 1.00 0.53 H new ATOM 0 HB3 LYS B 58 17.495 10.934 0.506 1.00 0.53 H new ATOM 0 HG2 LYS B 58 15.682 9.395 1.218 1.00 0.62 H new ATOM 0 HG3 LYS B 58 16.789 8.594 2.315 1.00 0.62 H new ATOM 0 HD2 LYS B 58 15.552 10.158 3.642 1.00 0.70 H new ATOM 0 HD3 LYS B 58 17.157 10.838 3.458 1.00 0.70 H new ATOM 0 HE2 LYS B 58 15.376 11.664 1.280 1.00 0.77 H new ATOM 0 HE3 LYS B 58 14.719 12.091 2.848 1.00 0.77 H new ATOM 0 HZ1 LYS B 58 16.329 13.693 1.661 1.00 1.01 H new ATOM 0 HZ2 LYS B 58 16.496 13.448 3.333 1.00 1.01 H new ATOM 0 HZ3 LYS B 58 17.548 12.669 2.251 1.00 1.01 H new ATOM 2348 N GLU B 59 20.255 9.796 -0.833 1.00 0.51 N ATOM 2349 CA GLU B 59 21.210 10.411 -1.745 1.00 0.56 C ATOM 2350 C GLU B 59 21.461 9.502 -2.945 1.00 0.57 C ATOM 2351 O GLU B 59 21.632 9.973 -4.070 1.00 0.65 O ATOM 2352 CB GLU B 59 22.528 10.699 -1.024 1.00 0.63 C ATOM 2353 CG GLU B 59 23.492 11.547 -1.837 1.00 1.06 C ATOM 2354 CD GLU B 59 24.763 11.855 -1.083 1.00 0.97 C ATOM 2355 OE1 GLU B 59 24.724 12.702 -0.162 1.00 1.14 O ATOM 2356 OE2 GLU B 59 25.809 11.246 -1.396 1.00 1.30 O ATOM 0 H GLU B 59 20.651 9.508 0.062 1.00 0.51 H new ATOM 0 HA GLU B 59 20.789 11.353 -2.098 1.00 0.56 H new ATOM 0 HB2 GLU B 59 22.315 11.207 -0.083 1.00 0.63 H new ATOM 0 HB3 GLU B 59 23.010 9.754 -0.774 1.00 0.63 H new ATOM 0 HG2 GLU B 59 23.739 11.026 -2.762 1.00 1.06 H new ATOM 0 HG3 GLU B 59 23.004 12.480 -2.117 1.00 1.06 H new ATOM 2363 N ALA B 60 21.467 8.196 -2.693 1.00 0.55 N ATOM 2364 CA ALA B 60 21.692 7.211 -3.742 1.00 0.57 C ATOM 2365 C ALA B 60 20.611 7.301 -4.812 1.00 0.56 C ATOM 2366 O ALA B 60 20.898 7.240 -6.006 1.00 0.59 O ATOM 2367 CB ALA B 60 21.737 5.808 -3.153 1.00 0.59 C ATOM 0 H ALA B 60 21.318 7.796 -1.767 1.00 0.55 H new ATOM 0 HA ALA B 60 22.653 7.426 -4.209 1.00 0.57 H new ATOM 0 HB1 ALA B 60 21.906 5.084 -3.950 1.00 0.59 H new ATOM 0 HB2 ALA B 60 22.548 5.744 -2.427 1.00 0.59 H new ATOM 0 HB3 ALA B 60 20.790 5.590 -2.659 1.00 0.59 H new ATOM 2373 N ILE B 61 19.367 7.466 -4.380 1.00 0.52 N ATOM 2374 CA ILE B 61 18.245 7.562 -5.306 1.00 0.52 C ATOM 2375 C ILE B 61 18.390 8.780 -6.221 1.00 0.55 C ATOM 2376 O ILE B 61 18.214 8.676 -7.435 1.00 0.59 O ATOM 2377 CB ILE B 61 16.891 7.625 -4.568 1.00 0.50 C ATOM 2378 CG1 ILE B 61 16.710 6.383 -3.690 1.00 0.51 C ATOM 2379 CG2 ILE B 61 15.743 7.744 -5.564 1.00 0.52 C ATOM 2380 CD1 ILE B 61 15.438 6.393 -2.867 1.00 0.56 C ATOM 0 H ILE B 61 19.109 7.536 -3.396 1.00 0.52 H new ATOM 0 HA ILE B 61 18.260 6.656 -5.912 1.00 0.52 H new ATOM 0 HB ILE B 61 16.884 8.509 -3.930 1.00 0.50 H new ATOM 0 HG12 ILE B 61 16.713 5.497 -4.325 1.00 0.51 H new ATOM 0 HG13 ILE B 61 17.565 6.297 -3.019 1.00 0.51 H new ATOM 0 HG21 ILE B 61 14.797 7.787 -5.025 1.00 0.52 H new ATOM 0 HG22 ILE B 61 15.866 8.652 -6.154 1.00 0.52 H new ATOM 0 HG23 ILE B 61 15.744 6.878 -6.226 1.00 0.52 H new ATOM 0 HD11 ILE B 61 15.382 5.481 -2.273 1.00 0.56 H new ATOM 0 HD12 ILE B 61 15.440 7.259 -2.204 1.00 0.56 H new ATOM 0 HD13 ILE B 61 14.575 6.447 -3.531 1.00 0.56 H new ATOM 2392 N SER B 62 18.747 9.923 -5.650 1.00 0.55 N ATOM 2393 CA SER B 62 18.905 11.138 -6.434 1.00 0.59 C ATOM 2394 C SER B 62 20.133 11.059 -7.342 1.00 0.63 C ATOM 2395 O SER B 62 20.185 11.710 -8.385 1.00 0.70 O ATOM 2396 CB SER B 62 19.004 12.355 -5.512 1.00 0.61 C ATOM 2397 OG SER B 62 19.660 12.035 -4.293 1.00 0.70 O ATOM 0 H SER B 62 18.931 10.033 -4.653 1.00 0.55 H new ATOM 0 HA SER B 62 18.025 11.244 -7.069 1.00 0.59 H new ATOM 0 HB2 SER B 62 19.546 13.153 -6.019 1.00 0.61 H new ATOM 0 HB3 SER B 62 18.004 12.734 -5.299 1.00 0.61 H new ATOM 0 HG SER B 62 20.369 11.381 -4.465 1.00 0.70 H new ATOM 2403 N LYS B 63 21.103 10.244 -6.953 1.00 0.63 N ATOM 2404 CA LYS B 63 22.330 10.095 -7.725 1.00 0.69 C ATOM 2405 C LYS B 63 22.176 9.062 -8.845 1.00 0.71 C ATOM 2406 O LYS B 63 22.900 9.104 -9.840 1.00 0.82 O ATOM 2407 CB LYS B 63 23.485 9.700 -6.800 1.00 0.72 C ATOM 2408 CG LYS B 63 24.860 9.854 -7.428 1.00 0.84 C ATOM 2409 CD LYS B 63 25.152 11.298 -7.802 1.00 1.00 C ATOM 2410 CE LYS B 63 26.625 11.500 -8.117 1.00 1.04 C ATOM 2411 NZ LYS B 63 27.097 10.605 -9.206 1.00 1.28 N ATOM 0 H LYS B 63 21.065 9.675 -6.107 1.00 0.63 H new ATOM 0 HA LYS B 63 22.548 11.056 -8.191 1.00 0.69 H new ATOM 0 HB2 LYS B 63 23.439 10.309 -5.897 1.00 0.72 H new ATOM 0 HB3 LYS B 63 23.352 8.663 -6.492 1.00 0.72 H new ATOM 0 HG2 LYS B 63 25.619 9.498 -6.732 1.00 0.84 H new ATOM 0 HG3 LYS B 63 24.925 9.228 -8.318 1.00 0.84 H new ATOM 0 HD2 LYS B 63 24.551 11.581 -8.666 1.00 1.00 H new ATOM 0 HD3 LYS B 63 24.860 11.954 -6.982 1.00 1.00 H new ATOM 0 HE2 LYS B 63 26.794 12.538 -8.404 1.00 1.04 H new ATOM 0 HE3 LYS B 63 27.215 11.318 -7.219 1.00 1.04 H new ATOM 0 HZ1 LYS B 63 28.071 10.859 -9.467 1.00 1.28 H new ATOM 0 HZ2 LYS B 63 27.072 9.618 -8.879 1.00 1.28 H new ATOM 0 HZ3 LYS B 63 26.478 10.711 -10.035 1.00 1.28 H new ATOM 2425 N ARG B 64 21.235 8.139 -8.688 1.00 0.67 N ATOM 2426 CA ARG B 64 21.023 7.100 -9.695 1.00 0.70 C ATOM 2427 C ARG B 64 19.789 7.380 -10.550 1.00 0.70 C ATOM 2428 O ARG B 64 19.853 7.316 -11.776 1.00 0.75 O ATOM 2429 CB ARG B 64 20.903 5.722 -9.029 1.00 0.70 C ATOM 2430 CG ARG B 64 22.138 5.323 -8.230 1.00 0.72 C ATOM 2431 CD ARG B 64 23.343 5.074 -9.126 1.00 0.81 C ATOM 2432 NE ARG B 64 24.590 5.510 -8.498 1.00 0.84 N ATOM 2433 CZ ARG B 64 25.557 4.686 -8.093 1.00 0.95 C ATOM 2434 NH1 ARG B 64 25.438 3.373 -8.244 1.00 1.05 N ATOM 2435 NH2 ARG B 64 26.646 5.178 -7.519 1.00 1.07 N ATOM 0 H ARG B 64 20.611 8.086 -7.883 1.00 0.67 H new ATOM 0 HA ARG B 64 21.891 7.104 -10.354 1.00 0.70 H new ATOM 0 HB2 ARG B 64 20.036 5.721 -8.368 1.00 0.70 H new ATOM 0 HB3 ARG B 64 20.719 4.971 -9.797 1.00 0.70 H new ATOM 0 HG2 ARG B 64 22.376 6.109 -7.514 1.00 0.72 H new ATOM 0 HG3 ARG B 64 21.922 4.423 -7.655 1.00 0.72 H new ATOM 0 HD2 ARG B 64 23.407 4.012 -9.361 1.00 0.81 H new ATOM 0 HD3 ARG B 64 23.208 5.602 -10.070 1.00 0.81 H new ATOM 0 HE ARG B 64 24.729 6.511 -8.361 1.00 0.84 H new ATOM 0 HH11 ARG B 64 24.599 2.983 -8.674 1.00 1.05 H new ATOM 0 HH12 ARG B 64 26.185 2.754 -7.930 1.00 1.05 H new ATOM 0 HH21 ARG B 64 26.743 6.185 -7.388 1.00 1.07 H new ATOM 0 HH22 ARG B 64 27.387 4.550 -7.208 1.00 1.07 H new ATOM 2449 N PHE B 65 18.671 7.698 -9.909 1.00 0.67 N ATOM 2450 CA PHE B 65 17.431 7.968 -10.631 1.00 0.68 C ATOM 2451 C PHE B 65 17.342 9.435 -11.038 1.00 0.70 C ATOM 2452 O PHE B 65 16.651 9.775 -11.997 1.00 0.75 O ATOM 2453 CB PHE B 65 16.219 7.582 -9.777 1.00 0.66 C ATOM 2454 CG PHE B 65 15.191 6.778 -10.524 1.00 0.68 C ATOM 2455 CD1 PHE B 65 15.328 5.405 -10.648 1.00 0.88 C ATOM 2456 CD2 PHE B 65 14.087 7.393 -11.094 1.00 0.82 C ATOM 2457 CE1 PHE B 65 14.385 4.659 -11.331 1.00 1.02 C ATOM 2458 CE2 PHE B 65 13.142 6.650 -11.779 1.00 0.97 C ATOM 2459 CZ PHE B 65 13.290 5.283 -11.894 1.00 1.00 C ATOM 0 H PHE B 65 18.596 7.775 -8.895 1.00 0.67 H new ATOM 0 HA PHE B 65 17.431 7.362 -11.537 1.00 0.68 H new ATOM 0 HB2 PHE B 65 16.560 7.010 -8.914 1.00 0.66 H new ATOM 0 HB3 PHE B 65 15.751 8.489 -9.393 1.00 0.66 H new ATOM 0 HD1 PHE B 65 16.181 4.912 -10.206 1.00 0.88 H new ATOM 0 HD2 PHE B 65 13.963 8.462 -11.002 1.00 0.82 H new ATOM 0 HE1 PHE B 65 14.505 3.590 -11.424 1.00 1.02 H new ATOM 0 HE2 PHE B 65 12.288 7.140 -12.224 1.00 0.97 H new ATOM 0 HZ PHE B 65 12.550 4.702 -12.424 1.00 1.00 H new ATOM 2469 N LYS B 66 18.050 10.289 -10.301 1.00 0.68 N ATOM 2470 CA LYS B 66 18.082 11.728 -10.567 1.00 0.71 C ATOM 2471 C LYS B 66 16.692 12.349 -10.405 1.00 0.70 C ATOM 2472 O LYS B 66 15.981 12.594 -11.380 1.00 0.83 O ATOM 2473 CB LYS B 66 18.644 12.008 -11.971 1.00 0.79 C ATOM 2474 CG LYS B 66 19.037 13.460 -12.199 1.00 0.93 C ATOM 2475 CD LYS B 66 19.813 13.633 -13.496 1.00 1.05 C ATOM 2476 CE LYS B 66 18.995 13.216 -14.709 1.00 1.07 C ATOM 2477 NZ LYS B 66 19.795 13.281 -15.961 1.00 1.27 N ATOM 0 H LYS B 66 18.618 10.004 -9.503 1.00 0.68 H new ATOM 0 HA LYS B 66 18.743 12.191 -9.835 1.00 0.71 H new ATOM 0 HB2 LYS B 66 19.516 11.376 -12.135 1.00 0.79 H new ATOM 0 HB3 LYS B 66 17.899 11.723 -12.714 1.00 0.79 H new ATOM 0 HG2 LYS B 66 18.141 14.080 -12.225 1.00 0.93 H new ATOM 0 HG3 LYS B 66 19.643 13.809 -11.363 1.00 0.93 H new ATOM 0 HD2 LYS B 66 20.114 14.675 -13.602 1.00 1.05 H new ATOM 0 HD3 LYS B 66 20.727 13.040 -13.454 1.00 1.05 H new ATOM 0 HE2 LYS B 66 18.624 12.201 -14.566 1.00 1.07 H new ATOM 0 HE3 LYS B 66 18.123 13.864 -14.800 1.00 1.07 H new ATOM 0 HZ1 LYS B 66 19.204 12.990 -16.766 1.00 1.27 H new ATOM 0 HZ2 LYS B 66 20.128 14.255 -16.110 1.00 1.27 H new ATOM 0 HZ3 LYS B 66 20.613 12.644 -15.884 1.00 1.27 H new ATOM 2491 N SER B 67 16.309 12.597 -9.160 1.00 0.66 N ATOM 2492 CA SER B 67 15.014 13.189 -8.863 1.00 0.68 C ATOM 2493 C SER B 67 15.161 14.341 -7.872 1.00 0.69 C ATOM 2494 O SER B 67 15.078 15.511 -8.253 1.00 0.90 O ATOM 2495 CB SER B 67 14.062 12.126 -8.306 1.00 0.68 C ATOM 2496 OG SER B 67 13.892 11.063 -9.223 1.00 1.34 O ATOM 0 H SER B 67 16.879 12.396 -8.338 1.00 0.66 H new ATOM 0 HA SER B 67 14.596 13.585 -9.788 1.00 0.68 H new ATOM 0 HB2 SER B 67 14.454 11.739 -7.365 1.00 0.68 H new ATOM 0 HB3 SER B 67 13.095 12.579 -8.086 1.00 0.68 H new ATOM 0 HG SER B 67 13.281 10.398 -8.843 1.00 1.34 H new ATOM 2502 N GLN B 68 15.386 13.996 -6.611 1.00 0.59 N ATOM 2503 CA GLN B 68 15.551 14.974 -5.544 1.00 0.59 C ATOM 2504 C GLN B 68 16.128 14.274 -4.323 1.00 0.54 C ATOM 2505 O GLN B 68 16.194 13.048 -4.302 1.00 0.52 O ATOM 2506 CB GLN B 68 14.209 15.628 -5.198 1.00 0.64 C ATOM 2507 CG GLN B 68 14.163 17.114 -5.507 1.00 0.79 C ATOM 2508 CD GLN B 68 12.748 17.643 -5.646 1.00 0.85 C ATOM 2509 OE1 GLN B 68 11.864 16.957 -6.156 1.00 1.14 O ATOM 2510 NE2 GLN B 68 12.525 18.864 -5.191 1.00 1.09 N ATOM 0 H GLN B 68 15.459 13.028 -6.299 1.00 0.59 H new ATOM 0 HA GLN B 68 16.231 15.760 -5.874 1.00 0.59 H new ATOM 0 HB2 GLN B 68 13.415 15.125 -5.751 1.00 0.64 H new ATOM 0 HB3 GLN B 68 14.003 15.479 -4.138 1.00 0.64 H new ATOM 0 HG2 GLN B 68 14.674 17.661 -4.715 1.00 0.79 H new ATOM 0 HG3 GLN B 68 14.710 17.305 -6.430 1.00 0.79 H new ATOM 0 HE21 GLN B 68 13.286 19.400 -4.775 1.00 1.09 H new ATOM 0 HE22 GLN B 68 11.592 19.270 -5.256 1.00 1.09 H new ATOM 2519 N THR B 69 16.554 15.029 -3.320 1.00 0.56 N ATOM 2520 CA THR B 69 17.124 14.426 -2.121 1.00 0.56 C ATOM 2521 C THR B 69 16.385 14.865 -0.857 1.00 0.54 C ATOM 2522 O THR B 69 15.963 14.031 -0.056 1.00 0.55 O ATOM 2523 CB THR B 69 18.619 14.771 -1.985 1.00 0.63 C ATOM 2524 OG1 THR B 69 19.249 14.715 -3.270 1.00 0.74 O ATOM 2525 CG2 THR B 69 19.315 13.810 -1.032 1.00 0.70 C ATOM 0 H THR B 69 16.517 16.048 -3.310 1.00 0.56 H new ATOM 0 HA THR B 69 17.012 13.347 -2.229 1.00 0.56 H new ATOM 0 HB THR B 69 18.702 15.780 -1.580 1.00 0.63 H new ATOM 0 HG1 THR B 69 19.454 13.783 -3.493 1.00 0.74 H new ATOM 0 HG21 THR B 69 20.369 14.075 -0.954 1.00 0.70 H new ATOM 0 HG22 THR B 69 18.851 13.873 -0.048 1.00 0.70 H new ATOM 0 HG23 THR B 69 19.224 12.792 -1.411 1.00 0.70 H new ATOM 2533 N ASP B 70 16.217 16.168 -0.679 1.00 0.56 N ATOM 2534 CA ASP B 70 15.544 16.695 0.505 1.00 0.58 C ATOM 2535 C ASP B 70 14.041 16.425 0.467 1.00 0.55 C ATOM 2536 O ASP B 70 13.469 15.925 1.437 1.00 0.57 O ATOM 2537 CB ASP B 70 15.806 18.193 0.650 1.00 0.66 C ATOM 2538 CG ASP B 70 15.046 18.804 1.808 1.00 0.76 C ATOM 2539 OD1 ASP B 70 15.582 18.830 2.933 1.00 0.99 O ATOM 2540 OD2 ASP B 70 13.908 19.268 1.597 1.00 0.95 O ATOM 0 H ASP B 70 16.536 16.880 -1.336 1.00 0.56 H new ATOM 0 HA ASP B 70 15.955 16.177 1.371 1.00 0.58 H new ATOM 0 HB2 ASP B 70 16.874 18.360 0.792 1.00 0.66 H new ATOM 0 HB3 ASP B 70 15.524 18.699 -0.273 1.00 0.66 H new ATOM 2545 N GLN B 71 13.402 16.746 -0.653 1.00 0.56 N ATOM 2546 CA GLN B 71 11.966 16.534 -0.795 1.00 0.58 C ATOM 2547 C GLN B 71 11.652 15.084 -1.145 1.00 0.54 C ATOM 2548 O GLN B 71 10.490 14.713 -1.300 1.00 0.66 O ATOM 2549 CB GLN B 71 11.380 17.471 -1.855 1.00 0.65 C ATOM 2550 CG GLN B 71 10.852 18.779 -1.284 1.00 0.83 C ATOM 2551 CD GLN B 71 10.468 19.776 -2.359 1.00 0.92 C ATOM 2552 OE1 GLN B 71 9.339 19.772 -2.854 1.00 1.13 O ATOM 2553 NE2 GLN B 71 11.395 20.650 -2.714 1.00 1.18 N ATOM 0 H GLN B 71 13.853 17.152 -1.472 1.00 0.56 H new ATOM 0 HA GLN B 71 11.504 16.760 0.166 1.00 0.58 H new ATOM 0 HB2 GLN B 71 12.147 17.691 -2.598 1.00 0.65 H new ATOM 0 HB3 GLN B 71 10.571 16.958 -2.375 1.00 0.65 H new ATOM 0 HG2 GLN B 71 9.983 18.573 -0.659 1.00 0.83 H new ATOM 0 HG3 GLN B 71 11.611 19.221 -0.639 1.00 0.83 H new ATOM 0 HE21 GLN B 71 12.318 20.620 -2.280 1.00 1.18 H new ATOM 0 HE22 GLN B 71 11.187 21.355 -3.422 1.00 1.18 H new ATOM 2562 N LEU B 72 12.692 14.268 -1.251 1.00 0.51 N ATOM 2563 CA LEU B 72 12.533 12.860 -1.574 1.00 0.49 C ATOM 2564 C LEU B 72 12.089 12.088 -0.337 1.00 0.43 C ATOM 2565 O LEU B 72 12.897 11.789 0.547 1.00 0.51 O ATOM 2566 CB LEU B 72 13.850 12.295 -2.101 1.00 0.57 C ATOM 2567 CG LEU B 72 13.725 11.035 -2.955 1.00 0.72 C ATOM 2568 CD1 LEU B 72 13.347 11.397 -4.383 1.00 0.88 C ATOM 2569 CD2 LEU B 72 15.022 10.246 -2.922 1.00 1.00 C ATOM 0 H LEU B 72 13.660 14.561 -1.117 1.00 0.51 H new ATOM 0 HA LEU B 72 11.770 12.757 -2.346 1.00 0.49 H new ATOM 0 HB2 LEU B 72 14.347 13.066 -2.690 1.00 0.57 H new ATOM 0 HB3 LEU B 72 14.498 12.076 -1.252 1.00 0.57 H new ATOM 0 HG LEU B 72 12.933 10.409 -2.543 1.00 0.72 H new ATOM 0 HD11 LEU B 72 13.262 10.488 -4.978 1.00 0.88 H new ATOM 0 HD12 LEU B 72 12.392 11.922 -4.385 1.00 0.88 H new ATOM 0 HD13 LEU B 72 14.116 12.040 -4.811 1.00 0.88 H new ATOM 0 HD21 LEU B 72 14.919 9.351 -3.535 1.00 1.00 H new ATOM 0 HD22 LEU B 72 15.832 10.862 -3.312 1.00 1.00 H new ATOM 0 HD23 LEU B 72 15.247 9.959 -1.895 1.00 1.00 H new ATOM 2581 N VAL B 73 10.806 11.777 -0.266 1.00 0.37 N ATOM 2582 CA VAL B 73 10.265 11.058 0.876 1.00 0.35 C ATOM 2583 C VAL B 73 9.711 9.701 0.458 1.00 0.30 C ATOM 2584 O VAL B 73 8.964 9.596 -0.515 1.00 0.31 O ATOM 2585 CB VAL B 73 9.147 11.868 1.569 1.00 0.42 C ATOM 2586 CG1 VAL B 73 8.750 11.224 2.889 1.00 0.46 C ATOM 2587 CG2 VAL B 73 9.579 13.309 1.790 1.00 0.55 C ATOM 0 H VAL B 73 10.120 12.010 -0.984 1.00 0.37 H new ATOM 0 HA VAL B 73 11.086 10.910 1.578 1.00 0.35 H new ATOM 0 HB VAL B 73 8.277 11.868 0.912 1.00 0.42 H new ATOM 0 HG11 VAL B 73 7.961 11.812 3.358 1.00 0.46 H new ATOM 0 HG12 VAL B 73 8.388 10.212 2.706 1.00 0.46 H new ATOM 0 HG13 VAL B 73 9.616 11.185 3.550 1.00 0.46 H new ATOM 0 HG21 VAL B 73 8.775 13.859 2.279 1.00 0.55 H new ATOM 0 HG22 VAL B 73 10.468 13.330 2.420 1.00 0.55 H new ATOM 0 HG23 VAL B 73 9.804 13.773 0.830 1.00 0.55 H new ATOM 2597 N LEU B 74 10.097 8.666 1.190 1.00 0.30 N ATOM 2598 CA LEU B 74 9.624 7.318 0.920 1.00 0.29 C ATOM 2599 C LEU B 74 8.461 7.008 1.848 1.00 0.28 C ATOM 2600 O LEU B 74 8.521 7.291 3.041 1.00 0.36 O ATOM 2601 CB LEU B 74 10.748 6.289 1.108 1.00 0.33 C ATOM 2602 CG LEU B 74 11.679 6.082 -0.095 1.00 0.42 C ATOM 2603 CD1 LEU B 74 10.876 5.820 -1.360 1.00 0.57 C ATOM 2604 CD2 LEU B 74 12.596 7.282 -0.287 1.00 0.64 C ATOM 0 H LEU B 74 10.740 8.736 1.979 1.00 0.30 H new ATOM 0 HA LEU B 74 9.294 7.258 -0.117 1.00 0.29 H new ATOM 0 HB2 LEU B 74 11.353 6.593 1.962 1.00 0.33 H new ATOM 0 HB3 LEU B 74 10.297 5.330 1.362 1.00 0.33 H new ATOM 0 HG LEU B 74 12.298 5.208 0.108 1.00 0.42 H new ATOM 0 HD11 LEU B 74 11.556 5.676 -2.200 1.00 0.57 H new ATOM 0 HD12 LEU B 74 10.269 4.924 -1.227 1.00 0.57 H new ATOM 0 HD13 LEU B 74 10.226 6.672 -1.561 1.00 0.57 H new ATOM 0 HD21 LEU B 74 13.245 7.110 -1.145 1.00 0.64 H new ATOM 0 HD22 LEU B 74 11.995 8.175 -0.459 1.00 0.64 H new ATOM 0 HD23 LEU B 74 13.205 7.421 0.606 1.00 0.64 H new ATOM 2616 N ILE B 75 7.394 6.460 1.294 1.00 0.29 N ATOM 2617 CA ILE B 75 6.205 6.136 2.069 1.00 0.33 C ATOM 2618 C ILE B 75 5.996 4.631 2.155 1.00 0.31 C ATOM 2619 O ILE B 75 6.157 3.920 1.166 1.00 0.36 O ATOM 2620 CB ILE B 75 4.940 6.762 1.444 1.00 0.43 C ATOM 2621 CG1 ILE B 75 5.201 8.209 1.007 1.00 0.47 C ATOM 2622 CG2 ILE B 75 3.775 6.699 2.422 1.00 0.54 C ATOM 2623 CD1 ILE B 75 5.678 9.111 2.123 1.00 0.74 C ATOM 0 H ILE B 75 7.325 6.228 0.303 1.00 0.29 H new ATOM 0 HA ILE B 75 6.364 6.545 3.067 1.00 0.33 H new ATOM 0 HB ILE B 75 4.679 6.185 0.557 1.00 0.43 H new ATOM 0 HG12 ILE B 75 5.945 8.209 0.210 1.00 0.47 H new ATOM 0 HG13 ILE B 75 4.284 8.622 0.586 1.00 0.47 H new ATOM 0 HG21 ILE B 75 2.892 7.145 1.965 1.00 0.54 H new ATOM 0 HG22 ILE B 75 3.568 5.659 2.674 1.00 0.54 H new ATOM 0 HG23 ILE B 75 4.031 7.248 3.328 1.00 0.54 H new ATOM 0 HD11 ILE B 75 5.840 10.116 1.734 1.00 0.74 H new ATOM 0 HD12 ILE B 75 4.926 9.144 2.911 1.00 0.74 H new ATOM 0 HD13 ILE B 75 6.613 8.724 2.529 1.00 0.74 H new ATOM 2635 N PHE B 76 5.636 4.151 3.335 1.00 0.31 N ATOM 2636 CA PHE B 76 5.383 2.734 3.531 1.00 0.35 C ATOM 2637 C PHE B 76 3.910 2.511 3.879 1.00 0.31 C ATOM 2638 O PHE B 76 3.583 1.822 4.848 1.00 0.40 O ATOM 2639 CB PHE B 76 6.303 2.161 4.617 1.00 0.48 C ATOM 2640 CG PHE B 76 6.228 0.660 4.740 1.00 0.55 C ATOM 2641 CD1 PHE B 76 6.273 -0.145 3.610 1.00 0.65 C ATOM 2642 CD2 PHE B 76 6.097 0.058 5.983 1.00 0.62 C ATOM 2643 CE1 PHE B 76 6.186 -1.520 3.719 1.00 0.77 C ATOM 2644 CE2 PHE B 76 6.012 -1.317 6.096 1.00 0.72 C ATOM 2645 CZ PHE B 76 6.057 -2.106 4.964 1.00 0.78 C ATOM 0 H PHE B 76 5.513 4.723 4.171 1.00 0.31 H new ATOM 0 HA PHE B 76 5.602 2.205 2.603 1.00 0.35 H new ATOM 0 HB2 PHE B 76 7.332 2.449 4.399 1.00 0.48 H new ATOM 0 HB3 PHE B 76 6.043 2.609 5.576 1.00 0.48 H new ATOM 0 HD1 PHE B 76 6.377 0.308 2.635 1.00 0.65 H new ATOM 0 HD2 PHE B 76 6.061 0.670 6.872 1.00 0.62 H new ATOM 0 HE1 PHE B 76 6.219 -2.136 2.832 1.00 0.77 H new ATOM 0 HE2 PHE B 76 5.910 -1.774 7.069 1.00 0.72 H new ATOM 0 HZ PHE B 76 5.991 -3.180 5.051 1.00 0.78 H new ATOM 2655 N ALA B 77 3.035 3.136 3.090 1.00 0.40 N ATOM 2656 CA ALA B 77 1.588 3.010 3.255 1.00 0.48 C ATOM 2657 C ALA B 77 1.090 3.646 4.551 1.00 0.41 C ATOM 2658 O ALA B 77 1.088 3.014 5.609 1.00 0.44 O ATOM 2659 CB ALA B 77 1.168 1.545 3.178 1.00 0.62 C ATOM 0 H ALA B 77 3.311 3.744 2.319 1.00 0.40 H new ATOM 0 HA ALA B 77 1.123 3.557 2.435 1.00 0.48 H new ATOM 0 HB1 ALA B 77 0.088 1.469 3.303 1.00 0.62 H new ATOM 0 HB2 ALA B 77 1.451 1.136 2.208 1.00 0.62 H new ATOM 0 HB3 ALA B 77 1.665 0.982 3.968 1.00 0.62 H new ATOM 2665 N GLY B 78 0.673 4.905 4.465 1.00 0.46 N ATOM 2666 CA GLY B 78 0.155 5.605 5.626 1.00 0.54 C ATOM 2667 C GLY B 78 1.226 6.200 6.521 1.00 0.50 C ATOM 2668 O GLY B 78 0.917 7.001 7.402 1.00 0.63 O ATOM 0 H GLY B 78 0.685 5.456 3.607 1.00 0.46 H new ATOM 0 HA2 GLY B 78 -0.507 6.403 5.290 1.00 0.54 H new ATOM 0 HA3 GLY B 78 -0.451 4.914 6.213 1.00 0.54 H new ATOM 2672 N LYS B 79 2.478 5.833 6.294 1.00 0.42 N ATOM 2673 CA LYS B 79 3.577 6.330 7.112 1.00 0.43 C ATOM 2674 C LYS B 79 4.732 6.808 6.241 1.00 0.39 C ATOM 2675 O LYS B 79 5.129 6.126 5.294 1.00 0.43 O ATOM 2676 CB LYS B 79 4.055 5.234 8.071 1.00 0.50 C ATOM 2677 CG LYS B 79 3.836 5.559 9.542 1.00 0.72 C ATOM 2678 CD LYS B 79 2.359 5.686 9.876 1.00 1.16 C ATOM 2679 CE LYS B 79 2.151 6.324 11.241 1.00 1.57 C ATOM 2680 NZ LYS B 79 0.712 6.558 11.538 1.00 2.02 N ATOM 0 H LYS B 79 2.760 5.193 5.551 1.00 0.42 H new ATOM 0 HA LYS B 79 3.216 7.179 7.692 1.00 0.43 H new ATOM 0 HB2 LYS B 79 3.535 4.306 7.833 1.00 0.50 H new ATOM 0 HB3 LYS B 79 5.117 5.057 7.903 1.00 0.50 H new ATOM 0 HG2 LYS B 79 4.282 4.778 10.158 1.00 0.72 H new ATOM 0 HG3 LYS B 79 4.346 6.490 9.789 1.00 0.72 H new ATOM 0 HD2 LYS B 79 1.862 6.285 9.113 1.00 1.16 H new ATOM 0 HD3 LYS B 79 1.895 4.700 9.859 1.00 1.16 H new ATOM 0 HE2 LYS B 79 2.579 5.681 12.010 1.00 1.57 H new ATOM 0 HE3 LYS B 79 2.688 7.272 11.283 1.00 1.57 H new ATOM 0 HZ1 LYS B 79 0.618 6.994 12.478 1.00 2.02 H new ATOM 0 HZ2 LYS B 79 0.308 7.193 10.820 1.00 2.02 H new ATOM 0 HZ3 LYS B 79 0.203 5.651 11.524 1.00 2.02 H new ATOM 2694 N ILE B 80 5.258 7.980 6.564 1.00 0.37 N ATOM 2695 CA ILE B 80 6.362 8.562 5.815 1.00 0.39 C ATOM 2696 C ILE B 80 7.709 8.220 6.455 1.00 0.39 C ATOM 2697 O ILE B 80 7.821 8.102 7.681 1.00 0.61 O ATOM 2698 CB ILE B 80 6.224 10.103 5.701 1.00 0.52 C ATOM 2699 CG1 ILE B 80 6.580 10.787 7.026 1.00 0.67 C ATOM 2700 CG2 ILE B 80 4.808 10.481 5.286 1.00 0.97 C ATOM 2701 CD1 ILE B 80 6.599 12.299 6.943 1.00 1.18 C ATOM 0 H ILE B 80 4.935 8.550 7.346 1.00 0.37 H new ATOM 0 HA ILE B 80 6.324 8.131 4.814 1.00 0.39 H new ATOM 0 HB ILE B 80 6.922 10.446 4.938 1.00 0.52 H new ATOM 0 HG12 ILE B 80 5.861 10.482 7.787 1.00 0.67 H new ATOM 0 HG13 ILE B 80 7.559 10.437 7.354 1.00 0.67 H new ATOM 0 HG21 ILE B 80 4.728 11.565 5.211 1.00 0.97 H new ATOM 0 HG22 ILE B 80 4.580 10.032 4.319 1.00 0.97 H new ATOM 0 HG23 ILE B 80 4.101 10.116 6.031 1.00 0.97 H new ATOM 0 HD11 ILE B 80 6.858 12.714 7.917 1.00 1.18 H new ATOM 0 HD12 ILE B 80 7.338 12.614 6.206 1.00 1.18 H new ATOM 0 HD13 ILE B 80 5.614 12.659 6.646 1.00 1.18 H new ATOM 2713 N LEU B 81 8.722 8.045 5.621 1.00 0.30 N ATOM 2714 CA LEU B 81 10.067 7.734 6.087 1.00 0.34 C ATOM 2715 C LEU B 81 11.022 8.855 5.704 1.00 0.36 C ATOM 2716 O LEU B 81 10.969 9.370 4.585 1.00 0.46 O ATOM 2717 CB LEU B 81 10.563 6.411 5.493 1.00 0.44 C ATOM 2718 CG LEU B 81 9.901 5.149 6.052 1.00 0.57 C ATOM 2719 CD1 LEU B 81 8.622 4.826 5.297 1.00 1.01 C ATOM 2720 CD2 LEU B 81 10.867 3.979 5.993 1.00 0.78 C ATOM 0 H LEU B 81 8.637 8.114 4.607 1.00 0.30 H new ATOM 0 HA LEU B 81 10.035 7.636 7.172 1.00 0.34 H new ATOM 0 HB2 LEU B 81 10.406 6.435 4.415 1.00 0.44 H new ATOM 0 HB3 LEU B 81 11.638 6.339 5.657 1.00 0.44 H new ATOM 0 HG LEU B 81 9.638 5.333 7.094 1.00 0.57 H new ATOM 0 HD11 LEU B 81 8.171 3.925 5.714 1.00 1.01 H new ATOM 0 HD12 LEU B 81 7.924 5.658 5.391 1.00 1.01 H new ATOM 0 HD13 LEU B 81 8.852 4.663 4.244 1.00 1.01 H new ATOM 0 HD21 LEU B 81 10.384 3.088 6.393 1.00 0.78 H new ATOM 0 HD22 LEU B 81 11.159 3.800 4.958 1.00 0.78 H new ATOM 0 HD23 LEU B 81 11.753 4.208 6.585 1.00 0.78 H new ATOM 2732 N LYS B 82 11.886 9.231 6.632 1.00 0.39 N ATOM 2733 CA LYS B 82 12.848 10.299 6.400 1.00 0.47 C ATOM 2734 C LYS B 82 14.018 10.172 7.370 1.00 0.49 C ATOM 2735 O LYS B 82 14.307 9.082 7.856 1.00 0.63 O ATOM 2736 CB LYS B 82 12.172 11.670 6.548 1.00 0.54 C ATOM 2737 CG LYS B 82 12.161 12.480 5.257 1.00 0.94 C ATOM 2738 CD LYS B 82 11.696 13.912 5.491 1.00 1.01 C ATOM 2739 CE LYS B 82 10.206 13.980 5.790 1.00 1.22 C ATOM 2740 NZ LYS B 82 9.719 15.383 5.879 1.00 1.35 N ATOM 0 H LYS B 82 11.942 8.810 7.559 1.00 0.39 H new ATOM 0 HA LYS B 82 13.229 10.212 5.382 1.00 0.47 H new ATOM 0 HB2 LYS B 82 11.146 11.527 6.887 1.00 0.54 H new ATOM 0 HB3 LYS B 82 12.687 12.240 7.322 1.00 0.54 H new ATOM 0 HG2 LYS B 82 13.162 12.489 4.825 1.00 0.94 H new ATOM 0 HG3 LYS B 82 11.505 11.999 4.532 1.00 0.94 H new ATOM 0 HD2 LYS B 82 12.254 14.344 6.322 1.00 1.01 H new ATOM 0 HD3 LYS B 82 11.918 14.515 4.610 1.00 1.01 H new ATOM 0 HE2 LYS B 82 9.655 13.454 5.010 1.00 1.22 H new ATOM 0 HE3 LYS B 82 10.001 13.465 6.728 1.00 1.22 H new ATOM 0 HZ1 LYS B 82 8.699 15.384 6.084 1.00 1.35 H new ATOM 0 HZ2 LYS B 82 10.226 15.879 6.640 1.00 1.35 H new ATOM 0 HZ3 LYS B 82 9.891 15.868 4.975 1.00 1.35 H new ATOM 2754 N ASP B 83 14.667 11.294 7.671 1.00 0.60 N ATOM 2755 CA ASP B 83 15.814 11.319 8.581 1.00 0.68 C ATOM 2756 C ASP B 83 15.378 11.203 10.044 1.00 0.68 C ATOM 2757 O ASP B 83 16.101 11.612 10.951 1.00 0.89 O ATOM 2758 CB ASP B 83 16.616 12.614 8.385 1.00 0.88 C ATOM 2759 CG ASP B 83 15.809 13.862 8.699 1.00 1.20 C ATOM 2760 OD1 ASP B 83 14.879 14.186 7.924 1.00 1.56 O ATOM 2761 OD2 ASP B 83 16.105 14.533 9.712 1.00 1.52 O ATOM 0 H ASP B 83 14.416 12.208 7.294 1.00 0.60 H new ATOM 0 HA ASP B 83 16.440 10.459 8.344 1.00 0.68 H new ATOM 0 HB2 ASP B 83 17.499 12.588 9.023 1.00 0.88 H new ATOM 0 HB3 ASP B 83 16.968 12.665 7.355 1.00 0.88 H new ATOM 2766 N GLN B 84 14.209 10.623 10.272 1.00 0.60 N ATOM 2767 CA GLN B 84 13.681 10.458 11.621 1.00 0.67 C ATOM 2768 C GLN B 84 13.690 8.991 12.034 1.00 0.61 C ATOM 2769 O GLN B 84 13.898 8.667 13.204 1.00 0.81 O ATOM 2770 CB GLN B 84 12.256 11.003 11.711 1.00 0.77 C ATOM 2771 CG GLN B 84 12.161 12.500 11.473 1.00 0.93 C ATOM 2772 CD GLN B 84 10.735 13.007 11.556 1.00 1.13 C ATOM 2773 OE1 GLN B 84 9.909 12.454 12.278 1.00 1.32 O ATOM 2774 NE2 GLN B 84 10.439 14.056 10.814 1.00 1.28 N ATOM 0 H GLN B 84 13.604 10.257 9.537 1.00 0.60 H new ATOM 0 HA GLN B 84 14.324 11.019 12.299 1.00 0.67 H new ATOM 0 HB2 GLN B 84 11.632 10.487 10.981 1.00 0.77 H new ATOM 0 HB3 GLN B 84 11.850 10.774 12.696 1.00 0.77 H new ATOM 0 HG2 GLN B 84 12.773 13.022 12.209 1.00 0.93 H new ATOM 0 HG3 GLN B 84 12.572 12.736 10.491 1.00 0.93 H new ATOM 0 HE21 GLN B 84 11.156 14.485 10.228 1.00 1.28 H new ATOM 0 HE22 GLN B 84 9.494 14.438 10.826 1.00 1.28 H new ATOM 2783 N ASP B 85 13.474 8.112 11.068 1.00 0.52 N ATOM 2784 CA ASP B 85 13.435 6.684 11.334 1.00 0.51 C ATOM 2785 C ASP B 85 14.383 5.931 10.409 1.00 0.44 C ATOM 2786 O ASP B 85 14.999 6.525 9.529 1.00 0.48 O ATOM 2787 CB ASP B 85 12.004 6.151 11.174 1.00 0.61 C ATOM 2788 CG ASP B 85 11.449 6.290 9.762 1.00 0.68 C ATOM 2789 OD1 ASP B 85 11.592 7.378 9.153 1.00 0.76 O ATOM 2790 OD2 ASP B 85 10.833 5.314 9.273 1.00 0.86 O ATOM 0 H ASP B 85 13.323 8.364 10.091 1.00 0.52 H new ATOM 0 HA ASP B 85 13.760 6.522 12.362 1.00 0.51 H new ATOM 0 HB2 ASP B 85 11.984 5.099 11.460 1.00 0.61 H new ATOM 0 HB3 ASP B 85 11.349 6.682 11.865 1.00 0.61 H new ATOM 2795 N THR B 86 14.519 4.627 10.636 1.00 0.49 N ATOM 2796 CA THR B 86 15.387 3.793 9.815 1.00 0.47 C ATOM 2797 C THR B 86 14.558 2.885 8.905 1.00 0.42 C ATOM 2798 O THR B 86 13.624 2.219 9.356 1.00 0.41 O ATOM 2799 CB THR B 86 16.330 2.930 10.681 1.00 0.54 C ATOM 2800 OG1 THR B 86 16.778 3.679 11.820 1.00 0.67 O ATOM 2801 CG2 THR B 86 17.536 2.473 9.874 1.00 0.67 C ATOM 0 H THR B 86 14.038 4.126 11.383 1.00 0.49 H new ATOM 0 HA THR B 86 15.994 4.462 9.205 1.00 0.47 H new ATOM 0 HB THR B 86 15.775 2.053 11.015 1.00 0.54 H new ATOM 0 HG1 THR B 86 17.374 3.123 12.364 1.00 0.67 H new ATOM 0 HG21 THR B 86 18.187 1.867 10.504 1.00 0.67 H new ATOM 0 HG22 THR B 86 17.201 1.881 9.022 1.00 0.67 H new ATOM 0 HG23 THR B 86 18.086 3.344 9.517 1.00 0.67 H new ATOM 2809 N LEU B 87 14.914 2.862 7.625 1.00 0.43 N ATOM 2810 CA LEU B 87 14.219 2.052 6.626 1.00 0.42 C ATOM 2811 C LEU B 87 14.218 0.569 6.995 1.00 0.42 C ATOM 2812 O LEU B 87 13.181 -0.091 6.947 1.00 0.44 O ATOM 2813 CB LEU B 87 14.883 2.240 5.259 1.00 0.51 C ATOM 2814 CG LEU B 87 14.210 1.515 4.092 1.00 0.52 C ATOM 2815 CD1 LEU B 87 12.998 2.288 3.598 1.00 0.61 C ATOM 2816 CD2 LEU B 87 15.201 1.291 2.960 1.00 0.66 C ATOM 0 H LEU B 87 15.692 3.404 7.249 1.00 0.43 H new ATOM 0 HA LEU B 87 13.182 2.387 6.589 1.00 0.42 H new ATOM 0 HB2 LEU B 87 14.912 3.306 5.033 1.00 0.51 H new ATOM 0 HB3 LEU B 87 15.916 1.900 5.327 1.00 0.51 H new ATOM 0 HG LEU B 87 13.868 0.543 4.448 1.00 0.52 H new ATOM 0 HD11 LEU B 87 12.538 1.751 2.768 1.00 0.61 H new ATOM 0 HD12 LEU B 87 12.277 2.391 4.409 1.00 0.61 H new ATOM 0 HD13 LEU B 87 13.309 3.277 3.262 1.00 0.61 H new ATOM 0 HD21 LEU B 87 14.705 0.774 2.139 1.00 0.66 H new ATOM 0 HD22 LEU B 87 15.576 2.252 2.610 1.00 0.66 H new ATOM 0 HD23 LEU B 87 16.033 0.686 3.319 1.00 0.66 H new ATOM 2828 N ILE B 88 15.375 0.061 7.401 1.00 0.47 N ATOM 2829 CA ILE B 88 15.525 -1.352 7.751 1.00 0.53 C ATOM 2830 C ILE B 88 14.822 -1.721 9.061 1.00 0.54 C ATOM 2831 O ILE B 88 14.803 -2.887 9.448 1.00 0.66 O ATOM 2832 CB ILE B 88 17.018 -1.740 7.867 1.00 0.62 C ATOM 2833 CG1 ILE B 88 17.700 -0.950 8.990 1.00 0.65 C ATOM 2834 CG2 ILE B 88 17.733 -1.498 6.546 1.00 0.67 C ATOM 2835 CD1 ILE B 88 18.046 -1.794 10.199 1.00 0.91 C ATOM 0 H ILE B 88 16.230 0.608 7.497 1.00 0.47 H new ATOM 0 HA ILE B 88 15.052 -1.907 6.941 1.00 0.53 H new ATOM 0 HB ILE B 88 17.076 -2.801 8.109 1.00 0.62 H new ATOM 0 HG12 ILE B 88 18.611 -0.495 8.602 1.00 0.65 H new ATOM 0 HG13 ILE B 88 17.045 -0.136 9.301 1.00 0.65 H new ATOM 0 HG21 ILE B 88 18.782 -1.776 6.644 1.00 0.67 H new ATOM 0 HG22 ILE B 88 17.269 -2.101 5.765 1.00 0.67 H new ATOM 0 HG23 ILE B 88 17.660 -0.443 6.281 1.00 0.67 H new ATOM 0 HD11 ILE B 88 18.525 -1.170 10.953 1.00 0.91 H new ATOM 0 HD12 ILE B 88 17.136 -2.228 10.612 1.00 0.91 H new ATOM 0 HD13 ILE B 88 18.726 -2.592 9.903 1.00 0.91 H new ATOM 2847 N GLN B 89 14.238 -0.743 9.738 1.00 0.48 N ATOM 2848 CA GLN B 89 13.576 -1.008 11.009 1.00 0.53 C ATOM 2849 C GLN B 89 12.096 -1.327 10.831 1.00 0.52 C ATOM 2850 O GLN B 89 11.505 -2.043 11.642 1.00 0.71 O ATOM 2851 CB GLN B 89 13.740 0.182 11.954 1.00 0.57 C ATOM 2852 CG GLN B 89 13.732 -0.206 13.424 1.00 0.69 C ATOM 2853 CD GLN B 89 15.016 -0.897 13.851 1.00 0.82 C ATOM 2854 OE1 GLN B 89 15.955 -0.252 14.319 1.00 0.96 O ATOM 2855 NE2 GLN B 89 15.065 -2.213 13.703 1.00 0.89 N ATOM 0 H GLN B 89 14.208 0.230 9.434 1.00 0.48 H new ATOM 0 HA GLN B 89 14.055 -1.886 11.442 1.00 0.53 H new ATOM 0 HB2 GLN B 89 14.677 0.691 11.726 1.00 0.57 H new ATOM 0 HB3 GLN B 89 12.937 0.895 11.770 1.00 0.57 H new ATOM 0 HG2 GLN B 89 13.585 0.687 14.031 1.00 0.69 H new ATOM 0 HG3 GLN B 89 12.886 -0.866 13.618 1.00 0.69 H new ATOM 0 HE21 GLN B 89 14.266 -2.712 13.311 1.00 0.89 H new ATOM 0 HE22 GLN B 89 15.901 -2.727 13.981 1.00 0.89 H new ATOM 2864 N HIS B 90 11.496 -0.816 9.764 1.00 0.49 N ATOM 2865 CA HIS B 90 10.076 -1.043 9.524 1.00 0.51 C ATOM 2866 C HIS B 90 9.734 -0.956 8.041 1.00 0.50 C ATOM 2867 O HIS B 90 9.023 -1.812 7.518 1.00 0.75 O ATOM 2868 CB HIS B 90 9.247 -0.022 10.310 1.00 0.59 C ATOM 2869 CG HIS B 90 7.771 -0.268 10.271 1.00 0.72 C ATOM 2870 ND1 HIS B 90 6.902 0.506 9.532 1.00 0.96 N ATOM 2871 CD2 HIS B 90 7.010 -1.205 10.882 1.00 0.92 C ATOM 2872 CE1 HIS B 90 5.671 0.056 9.693 1.00 1.14 C ATOM 2873 NE2 HIS B 90 5.710 -0.977 10.509 1.00 1.10 N ATOM 0 H HIS B 90 11.964 -0.248 9.058 1.00 0.49 H new ATOM 0 HA HIS B 90 9.837 -2.051 9.863 1.00 0.51 H new ATOM 0 HB2 HIS B 90 9.577 -0.026 11.349 1.00 0.59 H new ATOM 0 HB3 HIS B 90 9.448 0.974 9.915 1.00 0.59 H new ATOM 0 HD2 HIS B 90 7.361 -1.986 11.540 1.00 0.92 H new ATOM 0 HE1 HIS B 90 4.783 0.465 9.234 1.00 1.14 H new ATOM 0 HE2 HIS B 90 4.903 -1.520 10.815 1.00 1.10 H new ATOM 2882 N GLY B 91 10.233 0.091 7.386 1.00 0.45 N ATOM 2883 CA GLY B 91 9.965 0.301 5.969 1.00 0.46 C ATOM 2884 C GLY B 91 10.254 -0.919 5.113 1.00 0.45 C ATOM 2885 O GLY B 91 9.366 -1.439 4.445 1.00 0.64 O ATOM 0 H GLY B 91 10.823 0.804 7.815 1.00 0.45 H new ATOM 0 HA2 GLY B 91 8.920 0.585 5.843 1.00 0.46 H new ATOM 0 HA3 GLY B 91 10.568 1.136 5.613 1.00 0.46 H new ATOM 2889 N ILE B 92 11.494 -1.378 5.134 1.00 0.38 N ATOM 2890 CA ILE B 92 11.884 -2.535 4.344 1.00 0.39 C ATOM 2891 C ILE B 92 12.519 -3.595 5.233 1.00 0.41 C ATOM 2892 O ILE B 92 13.540 -3.350 5.874 1.00 0.46 O ATOM 2893 CB ILE B 92 12.878 -2.155 3.221 1.00 0.41 C ATOM 2894 CG1 ILE B 92 12.297 -1.057 2.321 1.00 0.40 C ATOM 2895 CG2 ILE B 92 13.244 -3.383 2.396 1.00 0.47 C ATOM 2896 CD1 ILE B 92 11.073 -1.480 1.532 1.00 0.43 C ATOM 0 H ILE B 92 12.247 -0.969 5.688 1.00 0.38 H new ATOM 0 HA ILE B 92 10.978 -2.930 3.884 1.00 0.39 H new ATOM 0 HB ILE B 92 13.783 -1.766 3.687 1.00 0.41 H new ATOM 0 HG12 ILE B 92 12.038 -0.197 2.938 1.00 0.40 H new ATOM 0 HG13 ILE B 92 13.068 -0.728 1.624 1.00 0.40 H new ATOM 0 HG21 ILE B 92 13.944 -3.098 1.610 1.00 0.47 H new ATOM 0 HG22 ILE B 92 13.707 -4.130 3.041 1.00 0.47 H new ATOM 0 HG23 ILE B 92 12.343 -3.800 1.946 1.00 0.47 H new ATOM 0 HD11 ILE B 92 10.727 -0.645 0.923 1.00 0.43 H new ATOM 0 HD12 ILE B 92 11.329 -2.320 0.886 1.00 0.43 H new ATOM 0 HD13 ILE B 92 10.282 -1.780 2.220 1.00 0.43 H new ATOM 2908 N HIS B 93 11.901 -4.764 5.288 1.00 0.46 N ATOM 2909 CA HIS B 93 12.427 -5.858 6.088 1.00 0.52 C ATOM 2910 C HIS B 93 13.132 -6.863 5.195 1.00 0.54 C ATOM 2911 O HIS B 93 14.312 -7.153 5.385 1.00 0.66 O ATOM 2912 CB HIS B 93 11.318 -6.554 6.877 1.00 0.58 C ATOM 2913 CG HIS B 93 10.933 -5.848 8.137 1.00 0.65 C ATOM 2914 ND1 HIS B 93 11.795 -5.660 9.198 1.00 1.25 N ATOM 2915 CD2 HIS B 93 9.756 -5.293 8.507 1.00 1.25 C ATOM 2916 CE1 HIS B 93 11.163 -5.022 10.165 1.00 1.14 C ATOM 2917 NE2 HIS B 93 9.926 -4.789 9.770 1.00 1.10 N ATOM 0 H HIS B 93 11.037 -4.979 4.790 1.00 0.46 H new ATOM 0 HA HIS B 93 13.139 -5.441 6.800 1.00 0.52 H new ATOM 0 HB2 HIS B 93 10.437 -6.647 6.241 1.00 0.58 H new ATOM 0 HB3 HIS B 93 11.641 -7.565 7.124 1.00 0.58 H new ATOM 0 HD2 HIS B 93 8.852 -5.254 7.918 1.00 1.25 H new ATOM 0 HE1 HIS B 93 11.586 -4.739 11.117 1.00 1.14 H new ATOM 0 HE2 HIS B 93 9.211 -4.310 10.317 1.00 1.10 H new ATOM 2926 N ASP B 94 12.401 -7.385 4.217 1.00 0.58 N ATOM 2927 CA ASP B 94 12.949 -8.356 3.280 1.00 0.63 C ATOM 2928 C ASP B 94 12.130 -8.369 1.989 1.00 0.78 C ATOM 2929 O ASP B 94 11.290 -9.244 1.775 1.00 1.65 O ATOM 2930 CB ASP B 94 12.976 -9.754 3.912 1.00 0.67 C ATOM 2931 CG ASP B 94 13.606 -10.795 3.007 1.00 0.79 C ATOM 2932 OD1 ASP B 94 14.812 -10.682 2.702 1.00 0.92 O ATOM 2933 OD2 ASP B 94 12.898 -11.741 2.596 1.00 1.08 O ATOM 0 H ASP B 94 11.422 -7.150 4.053 1.00 0.58 H new ATOM 0 HA ASP B 94 13.972 -8.067 3.039 1.00 0.63 H new ATOM 0 HB2 ASP B 94 13.528 -9.713 4.851 1.00 0.67 H new ATOM 0 HB3 ASP B 94 11.958 -10.058 4.154 1.00 0.67 H new ATOM 2938 N GLY B 95 12.354 -7.371 1.144 1.00 0.57 N ATOM 2939 CA GLY B 95 11.635 -7.289 -0.113 1.00 0.52 C ATOM 2940 C GLY B 95 10.248 -6.694 0.040 1.00 0.46 C ATOM 2941 O GLY B 95 9.254 -7.423 0.092 1.00 0.53 O ATOM 0 H GLY B 95 13.021 -6.616 1.306 1.00 0.57 H new ATOM 0 HA2 GLY B 95 12.209 -6.685 -0.816 1.00 0.52 H new ATOM 0 HA3 GLY B 95 11.552 -8.287 -0.544 1.00 0.52 H new ATOM 2945 N LEU B 96 10.178 -5.372 0.115 1.00 0.41 N ATOM 2946 CA LEU B 96 8.905 -4.677 0.265 1.00 0.40 C ATOM 2947 C LEU B 96 8.819 -3.511 -0.714 1.00 0.37 C ATOM 2948 O LEU B 96 9.800 -3.192 -1.390 1.00 0.41 O ATOM 2949 CB LEU B 96 8.726 -4.181 1.702 1.00 0.44 C ATOM 2950 CG LEU B 96 8.241 -5.238 2.699 1.00 0.53 C ATOM 2951 CD1 LEU B 96 8.398 -4.738 4.126 1.00 0.58 C ATOM 2952 CD2 LEU B 96 6.791 -5.605 2.418 1.00 0.70 C ATOM 0 H LEU B 96 10.990 -4.757 0.074 1.00 0.41 H new ATOM 0 HA LEU B 96 8.102 -5.379 0.042 1.00 0.40 H new ATOM 0 HB2 LEU B 96 9.678 -3.782 2.053 1.00 0.44 H new ATOM 0 HB3 LEU B 96 8.016 -3.354 1.699 1.00 0.44 H new ATOM 0 HG LEU B 96 8.853 -6.132 2.580 1.00 0.53 H new ATOM 0 HD11 LEU B 96 8.048 -5.502 4.820 1.00 0.58 H new ATOM 0 HD12 LEU B 96 9.448 -4.523 4.323 1.00 0.58 H new ATOM 0 HD13 LEU B 96 7.810 -3.830 4.260 1.00 0.58 H new ATOM 0 HD21 LEU B 96 6.461 -6.357 3.134 1.00 0.70 H new ATOM 0 HD22 LEU B 96 6.166 -4.717 2.510 1.00 0.70 H new ATOM 0 HD23 LEU B 96 6.706 -6.005 1.407 1.00 0.70 H new ATOM 2964 N THR B 97 7.654 -2.886 -0.790 1.00 0.39 N ATOM 2965 CA THR B 97 7.445 -1.766 -1.699 1.00 0.39 C ATOM 2966 C THR B 97 7.262 -0.453 -0.951 1.00 0.37 C ATOM 2967 O THR B 97 6.584 -0.402 0.073 1.00 0.46 O ATOM 2968 CB THR B 97 6.208 -1.998 -2.587 1.00 0.46 C ATOM 2969 OG1 THR B 97 5.447 -3.110 -2.093 1.00 0.83 O ATOM 2970 CG2 THR B 97 6.605 -2.251 -4.033 1.00 0.78 C ATOM 0 H THR B 97 6.837 -3.135 -0.233 1.00 0.39 H new ATOM 0 HA THR B 97 8.340 -1.701 -2.317 1.00 0.39 H new ATOM 0 HB THR B 97 5.598 -1.095 -2.553 1.00 0.46 H new ATOM 0 HG1 THR B 97 4.662 -3.248 -2.663 1.00 0.83 H new ATOM 0 HG21 THR B 97 5.710 -2.411 -4.634 1.00 0.78 H new ATOM 0 HG22 THR B 97 7.150 -1.389 -4.417 1.00 0.78 H new ATOM 0 HG23 THR B 97 7.240 -3.135 -4.087 1.00 0.78 H new ATOM 2978 N VAL B 98 7.873 0.601 -1.470 1.00 0.33 N ATOM 2979 CA VAL B 98 7.762 1.927 -0.878 1.00 0.31 C ATOM 2980 C VAL B 98 7.334 2.938 -1.938 1.00 0.30 C ATOM 2981 O VAL B 98 7.684 2.804 -3.110 1.00 0.36 O ATOM 2982 CB VAL B 98 9.079 2.395 -0.219 1.00 0.31 C ATOM 2983 CG1 VAL B 98 9.210 1.823 1.185 1.00 0.37 C ATOM 2984 CG2 VAL B 98 10.287 2.013 -1.069 1.00 0.34 C ATOM 0 H VAL B 98 8.455 0.563 -2.307 1.00 0.33 H new ATOM 0 HA VAL B 98 7.008 1.863 -0.093 1.00 0.31 H new ATOM 0 HB VAL B 98 9.049 3.482 -0.148 1.00 0.31 H new ATOM 0 HG11 VAL B 98 10.144 2.165 1.631 1.00 0.37 H new ATOM 0 HG12 VAL B 98 8.372 2.160 1.795 1.00 0.37 H new ATOM 0 HG13 VAL B 98 9.208 0.734 1.136 1.00 0.37 H new ATOM 0 HG21 VAL B 98 11.199 2.355 -0.580 1.00 0.34 H new ATOM 0 HG22 VAL B 98 10.322 0.930 -1.185 1.00 0.34 H new ATOM 0 HG23 VAL B 98 10.204 2.481 -2.050 1.00 0.34 H new ATOM 2994 N HIS B 99 6.567 3.934 -1.527 1.00 0.29 N ATOM 2995 CA HIS B 99 6.081 4.958 -2.444 1.00 0.31 C ATOM 2996 C HIS B 99 6.957 6.200 -2.382 1.00 0.30 C ATOM 2997 O HIS B 99 7.178 6.751 -1.313 1.00 0.47 O ATOM 2998 CB HIS B 99 4.640 5.326 -2.099 1.00 0.38 C ATOM 2999 CG HIS B 99 3.793 5.619 -3.294 1.00 0.47 C ATOM 3000 ND1 HIS B 99 2.892 4.716 -3.810 1.00 0.68 N ATOM 3001 CD2 HIS B 99 3.707 6.720 -4.076 1.00 0.71 C ATOM 3002 CE1 HIS B 99 2.292 5.247 -4.854 1.00 0.81 C ATOM 3003 NE2 HIS B 99 2.768 6.458 -5.038 1.00 0.81 N ATOM 0 H HIS B 99 6.265 4.058 -0.561 1.00 0.29 H new ATOM 0 HA HIS B 99 6.120 4.556 -3.457 1.00 0.31 H new ATOM 0 HB2 HIS B 99 4.190 4.508 -1.537 1.00 0.38 H new ATOM 0 HB3 HIS B 99 4.644 6.198 -1.445 1.00 0.38 H new ATOM 0 HD2 HIS B 99 4.272 7.633 -3.963 1.00 0.71 H new ATOM 0 HE1 HIS B 99 1.536 4.768 -5.458 1.00 0.81 H new ATOM 0 HE2 HIS B 99 2.484 7.100 -5.778 1.00 0.81 H new ATOM 3012 N LEU B 100 7.457 6.634 -3.527 1.00 0.31 N ATOM 3013 CA LEU B 100 8.307 7.816 -3.582 1.00 0.32 C ATOM 3014 C LEU B 100 7.481 9.069 -3.856 1.00 0.32 C ATOM 3015 O LEU B 100 6.773 9.149 -4.866 1.00 0.40 O ATOM 3016 CB LEU B 100 9.377 7.641 -4.663 1.00 0.37 C ATOM 3017 CG LEU B 100 10.504 8.671 -4.643 1.00 0.50 C ATOM 3018 CD1 LEU B 100 11.847 7.979 -4.816 1.00 0.85 C ATOM 3019 CD2 LEU B 100 10.294 9.715 -5.733 1.00 0.91 C ATOM 0 H LEU B 100 7.291 6.189 -4.429 1.00 0.31 H new ATOM 0 HA LEU B 100 8.793 7.935 -2.614 1.00 0.32 H new ATOM 0 HB2 LEU B 100 9.814 6.648 -4.560 1.00 0.37 H new ATOM 0 HB3 LEU B 100 8.893 7.677 -5.639 1.00 0.37 H new ATOM 0 HG LEU B 100 10.496 9.180 -3.679 1.00 0.50 H new ATOM 0 HD11 LEU B 100 12.644 8.722 -4.800 1.00 0.85 H new ATOM 0 HD12 LEU B 100 11.998 7.268 -4.003 1.00 0.85 H new ATOM 0 HD13 LEU B 100 11.863 7.449 -5.769 1.00 0.85 H new ATOM 0 HD21 LEU B 100 11.107 10.441 -5.703 1.00 0.91 H new ATOM 0 HD22 LEU B 100 10.279 9.226 -6.707 1.00 0.91 H new ATOM 0 HD23 LEU B 100 9.345 10.226 -5.569 1.00 0.91 H new ATOM 3031 N VAL B 101 7.554 10.033 -2.943 1.00 0.30 N ATOM 3032 CA VAL B 101 6.827 11.291 -3.089 1.00 0.32 C ATOM 3033 C VAL B 101 7.775 12.477 -2.933 1.00 0.33 C ATOM 3034 O VAL B 101 8.953 12.298 -2.607 1.00 0.38 O ATOM 3035 CB VAL B 101 5.673 11.426 -2.068 1.00 0.39 C ATOM 3036 CG1 VAL B 101 4.687 10.276 -2.206 1.00 0.50 C ATOM 3037 CG2 VAL B 101 6.207 11.503 -0.647 1.00 0.52 C ATOM 0 H VAL B 101 8.111 9.967 -2.091 1.00 0.30 H new ATOM 0 HA VAL B 101 6.394 11.288 -4.089 1.00 0.32 H new ATOM 0 HB VAL B 101 5.146 12.356 -2.284 1.00 0.39 H new ATOM 0 HG11 VAL B 101 3.885 10.395 -1.477 1.00 0.50 H new ATOM 0 HG12 VAL B 101 4.266 10.276 -3.211 1.00 0.50 H new ATOM 0 HG13 VAL B 101 5.202 9.332 -2.029 1.00 0.50 H new ATOM 0 HG21 VAL B 101 5.374 11.598 0.050 1.00 0.52 H new ATOM 0 HG22 VAL B 101 6.769 10.597 -0.420 1.00 0.52 H new ATOM 0 HG23 VAL B 101 6.861 12.370 -0.551 1.00 0.52 H new ATOM 3047 N ILE B 102 7.261 13.683 -3.154 1.00 0.36 N ATOM 3048 CA ILE B 102 8.066 14.891 -3.045 1.00 0.41 C ATOM 3049 C ILE B 102 7.295 15.984 -2.314 1.00 0.51 C ATOM 3050 O ILE B 102 6.788 16.928 -2.927 1.00 0.79 O ATOM 3051 CB ILE B 102 8.540 15.424 -4.425 1.00 0.52 C ATOM 3052 CG1 ILE B 102 7.440 15.283 -5.492 1.00 0.71 C ATOM 3053 CG2 ILE B 102 9.822 14.720 -4.853 1.00 0.76 C ATOM 3054 CD1 ILE B 102 7.498 14.000 -6.301 1.00 1.32 C ATOM 0 H ILE B 102 6.288 13.848 -3.410 1.00 0.36 H new ATOM 0 HA ILE B 102 8.954 14.619 -2.475 1.00 0.41 H new ATOM 0 HB ILE B 102 8.752 16.488 -4.323 1.00 0.52 H new ATOM 0 HG12 ILE B 102 6.468 15.343 -5.002 1.00 0.71 H new ATOM 0 HG13 ILE B 102 7.505 16.130 -6.175 1.00 0.71 H new ATOM 0 HG21 ILE B 102 10.142 15.104 -5.822 1.00 0.76 H new ATOM 0 HG22 ILE B 102 10.602 14.904 -4.114 1.00 0.76 H new ATOM 0 HG23 ILE B 102 9.640 13.648 -4.930 1.00 0.76 H new ATOM 0 HD11 ILE B 102 6.685 13.990 -7.027 1.00 1.32 H new ATOM 0 HD12 ILE B 102 8.452 13.943 -6.825 1.00 1.32 H new ATOM 0 HD13 ILE B 102 7.399 13.144 -5.633 1.00 1.32 H new ATOM 3066 N LYS B 103 7.204 15.845 -1.003 1.00 0.59 N ATOM 3067 CA LYS B 103 6.493 16.805 -0.174 1.00 0.76 C ATOM 3068 C LYS B 103 7.390 17.274 0.961 1.00 0.91 C ATOM 3069 O LYS B 103 7.945 16.414 1.676 1.00 1.07 O ATOM 3070 CB LYS B 103 5.209 16.191 0.399 1.00 0.86 C ATOM 3071 CG LYS B 103 4.285 15.585 -0.649 1.00 1.00 C ATOM 3072 CD LYS B 103 3.696 16.645 -1.571 1.00 1.15 C ATOM 3073 CE LYS B 103 2.595 16.068 -2.449 1.00 1.32 C ATOM 3074 NZ LYS B 103 2.192 17.005 -3.533 1.00 1.74 N ATOM 3075 OXT LYS B 103 7.540 18.502 1.137 1.00 1.20 O ATOM 0 H LYS B 103 7.617 15.070 -0.485 1.00 0.59 H new ATOM 0 HA LYS B 103 6.219 17.657 -0.797 1.00 0.76 H new ATOM 0 HB2 LYS B 103 5.479 15.419 1.119 1.00 0.86 H new ATOM 0 HB3 LYS B 103 4.664 16.961 0.946 1.00 0.86 H new ATOM 0 HG2 LYS B 103 4.837 14.856 -1.241 1.00 1.00 H new ATOM 0 HG3 LYS B 103 3.477 15.047 -0.153 1.00 1.00 H new ATOM 0 HD2 LYS B 103 3.296 17.466 -0.975 1.00 1.15 H new ATOM 0 HD3 LYS B 103 4.484 17.061 -2.199 1.00 1.15 H new ATOM 0 HE2 LYS B 103 2.937 15.131 -2.889 1.00 1.32 H new ATOM 0 HE3 LYS B 103 1.727 15.833 -1.833 1.00 1.32 H new ATOM 0 HZ1 LYS B 103 1.440 16.571 -4.106 1.00 1.74 H new ATOM 0 HZ2 LYS B 103 1.841 17.890 -3.114 1.00 1.74 H new ATOM 0 HZ3 LYS B 103 3.013 17.210 -4.138 1.00 1.74 H new TER 3089 LYS B 103