USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 925 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: A 67 LYS NZ :NH3+ -142:sc= 2.14 (180deg=-0.291) USER MOD Set 1.2: A 93 SER OG : rot -19:sc= 0.623 USER MOD Set 2.1: A 84 TYR OH : rot -104:sc= 0.122 USER MOD Set 2.2: A 101 HIS : no HD1:sc= -0.121 K(o=0.0007,f=-1.5) USER MOD Set 3.1: A 24 ASN : amide:sc= -5.38! K(o=-9.3!,f=-1.3) USER MOD Set 3.2: A 29 GLN : amide:sc= -3.88! K(o=-9.3!,f=0.87) USER MOD Set 3.3: A 30 THR OG1 : rot 180:sc= -0.0577 USER MOD Set 4.1: A 28 TYR OH : rot 30:sc= -0.0842 USER MOD Set 4.2: A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 20 ASN : amide:sc= -3.43! K(o=-5.2!,f=-3.3) USER MOD Set 5.2: A 32 GLN : amide:sc= -1.73! K(o=-5.2!,f=-3.3) USER MOD Single : A 3 ASN : amide:sc= 0.389 K(o=0.39,f=-0.56) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.571 K(o=0.57,f=-0.54) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0235) USER MOD Single : A 35 ASN : amide:sc= -4.2! C(o=-4.2!,f=-2.3!) USER MOD Single : A 38 GLN : amide:sc= -4.19 K(o=-4.2,f=-1.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.09) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= -1.82! (180deg=-1.83!) USER MOD Single : A 60 MET CE :methyl -156:sc= -0.206 (180deg=-0.876) USER MOD Single : A 69 MET CE :methyl 154:sc= -2.31! (180deg=-4.08!) USER MOD Single : A 70 LYS NZ :NH3+ 133:sc= -0.834 (180deg=-2.17!) USER MOD Single : A 75 ASN : amide:sc= 0.57 K(o=0.57,f=0) USER MOD Single : A 81 MET CE :methyl 159:sc= -0.561 (180deg=-1.68!) USER MOD Single : A 82 THR OG1 : rot 49:sc= -0.288! USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 117 LYS NZ :NH3+ 168:sc= 1.19 (180deg=1.17) USER MOD Single : A 118 TYR OH : rot 50:sc= -1.44! USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 -10.119 6.871 10.735 1.00 0.60 N ATOM 38 CA ASN A 3 -10.281 5.545 10.148 1.00 0.58 C ATOM 39 C ASN A 3 -9.589 5.442 8.795 1.00 0.41 C ATOM 40 O ASN A 3 -9.402 4.349 8.265 1.00 0.47 O ATOM 41 CB ASN A 3 -11.756 5.128 10.031 1.00 0.73 C ATOM 42 CG ASN A 3 -12.588 6.053 9.170 1.00 1.80 C ATOM 43 OD1 ASN A 3 -13.439 5.608 8.400 1.00 2.57 O ATOM 44 ND2 ASN A 3 -12.392 7.341 9.329 1.00 2.06 N ATOM 0 HA ASN A 3 -9.799 4.849 10.835 1.00 0.58 H new ATOM 0 HB2 ASN A 3 -11.807 4.120 9.619 1.00 0.73 H new ATOM 0 HB3 ASN A 3 -12.192 5.087 11.029 1.00 0.73 H new ATOM 0 HD21 ASN A 3 -12.955 8.011 8.805 1.00 2.06 H new ATOM 0 HD22 ASN A 3 -11.677 7.672 9.977 1.00 2.06 H new ATOM 51 N GLU A 4 -9.209 6.581 8.243 1.00 0.28 N ATOM 52 CA GLU A 4 -8.421 6.621 7.024 1.00 0.20 C ATOM 53 C GLU A 4 -6.952 6.400 7.364 1.00 0.17 C ATOM 54 O GLU A 4 -6.377 7.174 8.116 1.00 0.20 O ATOM 55 CB GLU A 4 -8.604 7.970 6.316 1.00 0.24 C ATOM 56 CG GLU A 4 -8.506 9.185 7.236 1.00 0.39 C ATOM 57 CD GLU A 4 -9.860 9.603 7.756 1.00 0.99 C ATOM 58 OE1 GLU A 4 -10.343 8.994 8.729 1.00 1.26 O ATOM 59 OE2 GLU A 4 -10.435 10.563 7.213 1.00 1.70 O ATOM 0 H GLU A 4 -9.436 7.499 8.625 1.00 0.28 H new ATOM 0 HA GLU A 4 -8.758 5.832 6.352 1.00 0.20 H new ATOM 0 HB2 GLU A 4 -7.851 8.061 5.533 1.00 0.24 H new ATOM 0 HB3 GLU A 4 -9.577 7.979 5.825 1.00 0.24 H new ATOM 0 HG2 GLU A 4 -7.850 8.954 8.075 1.00 0.39 H new ATOM 0 HG3 GLU A 4 -8.052 10.015 6.695 1.00 0.39 H new ATOM 66 N LYS A 5 -6.357 5.318 6.861 1.00 0.17 N ATOM 67 CA LYS A 5 -4.971 4.999 7.206 1.00 0.18 C ATOM 68 C LYS A 5 -4.223 4.223 6.109 1.00 0.17 C ATOM 69 O LYS A 5 -4.720 3.219 5.602 1.00 0.18 O ATOM 70 CB LYS A 5 -4.954 4.241 8.529 1.00 0.26 C ATOM 71 CG LYS A 5 -6.113 3.266 8.687 1.00 0.79 C ATOM 72 CD LYS A 5 -6.501 3.090 10.145 1.00 0.87 C ATOM 73 CE LYS A 5 -7.535 1.988 10.309 1.00 1.27 C ATOM 74 NZ LYS A 5 -7.985 1.844 11.721 1.00 1.93 N ATOM 0 H LYS A 5 -6.803 4.658 6.224 1.00 0.17 H new ATOM 0 HA LYS A 5 -4.431 5.941 7.304 1.00 0.18 H new ATOM 0 HB2 LYS A 5 -4.015 3.693 8.612 1.00 0.26 H new ATOM 0 HB3 LYS A 5 -4.979 4.958 9.350 1.00 0.26 H new ATOM 0 HG2 LYS A 5 -6.973 3.627 8.122 1.00 0.79 H new ATOM 0 HG3 LYS A 5 -5.837 2.300 8.264 1.00 0.79 H new ATOM 0 HD2 LYS A 5 -5.615 2.852 10.734 1.00 0.87 H new ATOM 0 HD3 LYS A 5 -6.899 4.027 10.534 1.00 0.87 H new ATOM 0 HE2 LYS A 5 -8.396 2.203 9.675 1.00 1.27 H new ATOM 0 HE3 LYS A 5 -7.114 1.043 9.966 1.00 1.27 H new ATOM 0 HZ1 LYS A 5 -8.689 1.081 11.785 1.00 1.93 H new ATOM 0 HZ2 LYS A 5 -7.169 1.613 12.324 1.00 1.93 H new ATOM 0 HZ3 LYS A 5 -8.411 2.737 12.042 1.00 1.93 H new ATOM 88 N ILE A 6 -3.004 4.685 5.783 1.00 0.16 N ATOM 89 CA ILE A 6 -2.148 4.044 4.772 1.00 0.15 C ATOM 90 C ILE A 6 -0.665 4.137 5.185 1.00 0.15 C ATOM 91 O ILE A 6 -0.259 5.085 5.836 1.00 0.20 O ATOM 92 CB ILE A 6 -2.297 4.713 3.378 1.00 0.17 C ATOM 93 CG1 ILE A 6 -3.727 4.595 2.855 1.00 0.18 C ATOM 94 CG2 ILE A 6 -1.323 4.107 2.373 1.00 0.18 C ATOM 95 CD1 ILE A 6 -3.930 5.274 1.518 1.00 0.19 C ATOM 0 H ILE A 6 -2.586 5.511 6.212 1.00 0.16 H new ATOM 0 HA ILE A 6 -2.467 3.004 4.708 1.00 0.15 H new ATOM 0 HB ILE A 6 -2.061 5.770 3.499 1.00 0.17 H new ATOM 0 HG12 ILE A 6 -3.988 3.541 2.763 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.411 5.030 3.584 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -1.449 4.594 1.406 1.00 0.18 H new ATOM 0 HG22 ILE A 6 -0.301 4.253 2.723 1.00 0.18 H new ATOM 0 HG23 ILE A 6 -1.522 3.040 2.271 1.00 0.18 H new ATOM 0 HD11 ILE A 6 -4.966 5.154 1.202 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -3.700 6.335 1.610 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -3.270 4.823 0.777 1.00 0.19 H new ATOM 107 N LEU A 7 0.140 3.158 4.817 1.00 0.14 N ATOM 108 CA LEU A 7 1.578 3.234 5.027 1.00 0.16 C ATOM 109 C LEU A 7 2.258 3.351 3.667 1.00 0.25 C ATOM 110 O LEU A 7 1.756 2.816 2.704 1.00 0.59 O ATOM 111 CB LEU A 7 2.071 1.983 5.764 1.00 0.23 C ATOM 112 CG LEU A 7 3.170 2.212 6.806 1.00 0.27 C ATOM 113 CD1 LEU A 7 4.422 2.788 6.171 1.00 0.69 C ATOM 114 CD2 LEU A 7 2.667 3.129 7.905 1.00 0.47 C ATOM 0 H LEU A 7 -0.176 2.298 4.370 1.00 0.14 H new ATOM 0 HA LEU A 7 1.821 4.104 5.638 1.00 0.16 H new ATOM 0 HB2 LEU A 7 1.219 1.517 6.259 1.00 0.23 H new ATOM 0 HB3 LEU A 7 2.440 1.271 5.025 1.00 0.23 H new ATOM 0 HG LEU A 7 3.429 1.246 7.239 1.00 0.27 H new ATOM 0 HD11 LEU A 7 5.182 2.939 6.937 1.00 0.69 H new ATOM 0 HD12 LEU A 7 4.799 2.097 5.417 1.00 0.69 H new ATOM 0 HD13 LEU A 7 4.186 3.743 5.702 1.00 0.69 H new ATOM 0 HD21 LEU A 7 3.457 3.284 8.640 1.00 0.47 H new ATOM 0 HD22 LEU A 7 2.378 4.088 7.475 1.00 0.47 H new ATOM 0 HD23 LEU A 7 1.804 2.675 8.391 1.00 0.47 H new ATOM 126 N ILE A 8 3.335 4.112 3.568 1.00 0.19 N ATOM 127 CA ILE A 8 4.120 4.178 2.330 1.00 0.19 C ATOM 128 C ILE A 8 5.582 3.845 2.631 1.00 0.19 C ATOM 129 O ILE A 8 6.310 4.658 3.207 1.00 0.24 O ATOM 130 CB ILE A 8 4.049 5.579 1.666 1.00 0.22 C ATOM 131 CG1 ILE A 8 2.602 5.951 1.317 1.00 0.23 C ATOM 132 CG2 ILE A 8 4.921 5.627 0.416 1.00 0.28 C ATOM 133 CD1 ILE A 8 1.798 6.471 2.487 1.00 0.20 C ATOM 0 H ILE A 8 3.692 4.695 4.325 1.00 0.19 H new ATOM 0 HA ILE A 8 3.695 3.453 1.636 1.00 0.19 H new ATOM 0 HB ILE A 8 4.426 6.308 2.384 1.00 0.22 H new ATOM 0 HG12 ILE A 8 2.612 6.707 0.532 1.00 0.23 H new ATOM 0 HG13 ILE A 8 2.101 5.074 0.908 1.00 0.23 H new ATOM 0 HG21 ILE A 8 4.857 6.618 -0.034 1.00 0.28 H new ATOM 0 HG22 ILE A 8 5.956 5.417 0.686 1.00 0.28 H new ATOM 0 HG23 ILE A 8 4.574 4.881 -0.299 1.00 0.28 H new ATOM 0 HD11 ILE A 8 0.787 6.711 2.156 1.00 0.20 H new ATOM 0 HD12 ILE A 8 1.754 5.709 3.265 1.00 0.20 H new ATOM 0 HD13 ILE A 8 2.272 7.368 2.884 1.00 0.20 H new ATOM 145 N VAL A 9 5.998 2.641 2.276 1.00 0.19 N ATOM 146 CA VAL A 9 7.363 2.195 2.520 1.00 0.19 C ATOM 147 C VAL A 9 8.186 2.286 1.247 1.00 0.19 C ATOM 148 O VAL A 9 8.011 1.465 0.347 1.00 0.22 O ATOM 149 CB VAL A 9 7.397 0.735 2.996 1.00 0.20 C ATOM 150 CG1 VAL A 9 8.750 0.398 3.606 1.00 0.23 C ATOM 151 CG2 VAL A 9 6.267 0.462 3.970 1.00 0.21 C ATOM 0 H VAL A 9 5.407 1.949 1.815 1.00 0.19 H new ATOM 0 HA VAL A 9 7.777 2.843 3.292 1.00 0.19 H new ATOM 0 HB VAL A 9 7.253 0.087 2.131 1.00 0.20 H new ATOM 0 HG11 VAL A 9 8.752 -0.641 3.936 1.00 0.23 H new ATOM 0 HG12 VAL A 9 9.532 0.543 2.860 1.00 0.23 H new ATOM 0 HG13 VAL A 9 8.937 1.050 4.459 1.00 0.23 H new ATOM 0 HG21 VAL A 9 6.310 -0.578 4.295 1.00 0.21 H new ATOM 0 HG22 VAL A 9 6.367 1.117 4.836 1.00 0.21 H new ATOM 0 HG23 VAL A 9 5.311 0.650 3.481 1.00 0.21 H new ATOM 161 N ASP A 10 9.092 3.259 1.195 1.00 0.21 N ATOM 162 CA ASP A 10 9.923 3.487 -0.001 1.00 0.30 C ATOM 163 C ASP A 10 10.803 4.706 0.212 1.00 0.42 C ATOM 164 O ASP A 10 10.306 5.828 0.286 1.00 0.83 O ATOM 165 CB ASP A 10 9.050 3.692 -1.247 1.00 0.45 C ATOM 166 CG ASP A 10 9.831 4.182 -2.454 1.00 1.13 C ATOM 167 OD1 ASP A 10 10.883 3.596 -2.781 1.00 1.63 O ATOM 168 OD2 ASP A 10 9.396 5.170 -3.080 1.00 1.84 O ATOM 0 H ASP A 10 9.275 3.906 1.962 1.00 0.21 H new ATOM 0 HA ASP A 10 10.546 2.606 -0.159 1.00 0.30 H new ATOM 0 HB2 ASP A 10 8.560 2.751 -1.498 1.00 0.45 H new ATOM 0 HB3 ASP A 10 8.263 4.410 -1.016 1.00 0.45 H new ATOM 173 N ASP A 11 12.106 4.498 0.302 1.00 0.29 N ATOM 174 CA ASP A 11 12.997 5.538 0.783 1.00 0.36 C ATOM 175 C ASP A 11 13.350 6.550 -0.294 1.00 0.38 C ATOM 176 O ASP A 11 14.425 6.507 -0.897 1.00 0.73 O ATOM 177 CB ASP A 11 14.264 4.948 1.386 1.00 0.48 C ATOM 178 CG ASP A 11 14.967 5.938 2.289 1.00 0.63 C ATOM 179 OD1 ASP A 11 14.437 6.228 3.385 1.00 0.77 O ATOM 180 OD2 ASP A 11 16.033 6.455 1.901 1.00 0.74 O ATOM 0 H ASP A 11 12.567 3.624 0.050 1.00 0.29 H new ATOM 0 HA ASP A 11 12.451 6.069 1.563 1.00 0.36 H new ATOM 0 HB2 ASP A 11 14.014 4.052 1.954 1.00 0.48 H new ATOM 0 HB3 ASP A 11 14.939 4.641 0.587 1.00 0.48 H new ATOM 185 N GLN A 12 12.402 7.425 -0.555 1.00 0.56 N ATOM 186 CA GLN A 12 12.632 8.623 -1.337 1.00 0.60 C ATOM 187 C GLN A 12 12.562 9.801 -0.385 1.00 0.54 C ATOM 188 O GLN A 12 11.795 9.762 0.580 1.00 0.66 O ATOM 189 CB GLN A 12 11.596 8.763 -2.456 1.00 0.83 C ATOM 190 CG GLN A 12 11.346 7.473 -3.219 1.00 1.01 C ATOM 191 CD GLN A 12 12.606 6.876 -3.814 1.00 1.87 C ATOM 192 OE1 GLN A 12 13.532 7.592 -4.191 1.00 2.56 O ATOM 193 NE2 GLN A 12 12.651 5.557 -3.894 1.00 2.51 N ATOM 0 H GLN A 12 11.441 7.325 -0.228 1.00 0.56 H new ATOM 0 HA GLN A 12 13.608 8.577 -1.821 1.00 0.60 H new ATOM 0 HB2 GLN A 12 10.656 9.110 -2.028 1.00 0.83 H new ATOM 0 HB3 GLN A 12 11.930 9.530 -3.155 1.00 0.83 H new ATOM 0 HG2 GLN A 12 10.889 6.745 -2.549 1.00 1.01 H new ATOM 0 HG3 GLN A 12 10.630 7.664 -4.018 1.00 1.01 H new ATOM 0 HE21 GLN A 12 11.861 4.999 -3.570 1.00 2.51 H new ATOM 0 HE22 GLN A 12 13.476 5.097 -4.280 1.00 2.51 H new ATOM 202 N TYR A 13 13.383 10.806 -0.615 1.00 0.55 N ATOM 203 CA TYR A 13 13.549 11.902 0.334 1.00 0.60 C ATOM 204 C TYR A 13 12.220 12.496 0.819 1.00 0.51 C ATOM 205 O TYR A 13 12.039 12.699 2.021 1.00 0.61 O ATOM 206 CB TYR A 13 14.411 13.002 -0.274 1.00 0.75 C ATOM 207 CG TYR A 13 14.949 13.955 0.767 1.00 1.43 C ATOM 208 CD1 TYR A 13 16.087 13.640 1.494 1.00 1.81 C ATOM 209 CD2 TYR A 13 14.304 15.155 1.042 1.00 2.25 C ATOM 210 CE1 TYR A 13 16.571 14.491 2.464 1.00 2.61 C ATOM 211 CE2 TYR A 13 14.787 16.014 2.010 1.00 3.15 C ATOM 212 CZ TYR A 13 15.919 15.676 2.719 1.00 3.23 C ATOM 213 OH TYR A 13 16.400 16.522 3.692 1.00 4.16 O ATOM 0 H TYR A 13 13.953 10.891 -1.457 1.00 0.55 H new ATOM 0 HA TYR A 13 14.043 11.476 1.207 1.00 0.60 H new ATOM 0 HB2 TYR A 13 15.243 12.551 -0.814 1.00 0.75 H new ATOM 0 HB3 TYR A 13 13.823 13.559 -1.003 1.00 0.75 H new ATOM 0 HD1 TYR A 13 16.603 12.712 1.297 1.00 1.81 H new ATOM 0 HD2 TYR A 13 13.413 15.419 0.492 1.00 2.25 H new ATOM 0 HE1 TYR A 13 17.458 14.229 3.022 1.00 2.61 H new ATOM 0 HE2 TYR A 13 14.280 16.946 2.210 1.00 3.15 H new ATOM 0 HH TYR A 13 15.828 17.316 3.748 1.00 4.16 H new ATOM 223 N GLY A 14 11.286 12.766 -0.087 1.00 0.43 N ATOM 224 CA GLY A 14 10.087 13.464 0.328 1.00 0.39 C ATOM 225 C GLY A 14 8.832 13.068 -0.422 1.00 0.37 C ATOM 226 O GLY A 14 7.909 13.871 -0.544 1.00 0.45 O ATOM 0 H GLY A 14 11.335 12.521 -1.076 1.00 0.43 H new ATOM 0 HA2 GLY A 14 9.929 13.286 1.392 1.00 0.39 H new ATOM 0 HA3 GLY A 14 10.245 14.535 0.204 1.00 0.39 H new ATOM 230 N ILE A 15 8.768 11.836 -0.900 1.00 0.37 N ATOM 231 CA ILE A 15 7.558 11.352 -1.558 1.00 0.38 C ATOM 232 C ILE A 15 6.600 10.798 -0.509 1.00 0.30 C ATOM 233 O ILE A 15 5.401 11.089 -0.511 1.00 0.31 O ATOM 234 CB ILE A 15 7.870 10.258 -2.602 1.00 0.50 C ATOM 235 CG1 ILE A 15 8.953 10.734 -3.579 1.00 0.63 C ATOM 236 CG2 ILE A 15 6.606 9.867 -3.353 1.00 0.56 C ATOM 237 CD1 ILE A 15 8.549 11.925 -4.422 1.00 0.95 C ATOM 0 H ILE A 15 9.528 11.157 -0.848 1.00 0.37 H new ATOM 0 HA ILE A 15 7.101 12.191 -2.082 1.00 0.38 H new ATOM 0 HB ILE A 15 8.247 9.380 -2.078 1.00 0.50 H new ATOM 0 HG12 ILE A 15 9.849 10.991 -3.014 1.00 0.63 H new ATOM 0 HG13 ILE A 15 9.218 9.909 -4.240 1.00 0.63 H new ATOM 0 HG21 ILE A 15 6.842 9.095 -4.085 1.00 0.56 H new ATOM 0 HG22 ILE A 15 5.868 9.485 -2.648 1.00 0.56 H new ATOM 0 HG23 ILE A 15 6.202 10.741 -3.864 1.00 0.56 H new ATOM 0 HD11 ILE A 15 9.371 12.197 -5.085 1.00 0.95 H new ATOM 0 HD12 ILE A 15 7.672 11.669 -5.017 1.00 0.95 H new ATOM 0 HD13 ILE A 15 8.313 12.768 -3.772 1.00 0.95 H new ATOM 249 N ARG A 16 7.161 10.020 0.402 1.00 0.30 N ATOM 250 CA ARG A 16 6.418 9.448 1.518 1.00 0.35 C ATOM 251 C ARG A 16 5.684 10.531 2.301 1.00 0.33 C ATOM 252 O ARG A 16 4.536 10.357 2.705 1.00 0.43 O ATOM 253 CB ARG A 16 7.369 8.704 2.446 1.00 0.49 C ATOM 254 CG ARG A 16 7.799 7.354 1.913 1.00 0.58 C ATOM 255 CD ARG A 16 8.968 6.790 2.709 1.00 0.82 C ATOM 256 NE ARG A 16 10.143 7.660 2.623 1.00 1.64 N ATOM 257 CZ ARG A 16 11.351 7.343 3.088 1.00 2.17 C ATOM 258 NH1 ARG A 16 11.555 6.188 3.705 1.00 2.49 N ATOM 259 NH2 ARG A 16 12.368 8.177 2.918 1.00 2.91 N ATOM 0 H ARG A 16 8.149 9.765 0.390 1.00 0.30 H new ATOM 0 HA ARG A 16 5.681 8.754 1.114 1.00 0.35 H new ATOM 0 HB2 ARG A 16 8.254 9.318 2.615 1.00 0.49 H new ATOM 0 HB3 ARG A 16 6.887 8.567 3.414 1.00 0.49 H new ATOM 0 HG2 ARG A 16 6.959 6.660 1.955 1.00 0.58 H new ATOM 0 HG3 ARG A 16 8.082 7.448 0.865 1.00 0.58 H new ATOM 0 HD2 ARG A 16 8.676 6.672 3.753 1.00 0.82 H new ATOM 0 HD3 ARG A 16 9.220 5.798 2.335 1.00 0.82 H new ATOM 0 HE ARG A 16 10.029 8.570 2.177 1.00 1.64 H new ATOM 0 HH11 ARG A 16 10.784 5.532 3.828 1.00 2.49 H new ATOM 0 HH12 ARG A 16 12.483 5.955 4.057 1.00 2.49 H new ATOM 0 HH21 ARG A 16 12.226 9.062 2.431 1.00 2.91 H new ATOM 0 HH22 ARG A 16 13.292 7.934 3.274 1.00 2.91 H new ATOM 273 N ILE A 17 6.350 11.665 2.485 1.00 0.27 N ATOM 274 CA ILE A 17 5.823 12.742 3.309 1.00 0.29 C ATOM 275 C ILE A 17 4.893 13.630 2.494 1.00 0.32 C ATOM 276 O ILE A 17 3.939 14.201 3.024 1.00 0.34 O ATOM 277 CB ILE A 17 6.963 13.580 3.931 1.00 0.32 C ATOM 278 CG1 ILE A 17 6.418 14.729 4.789 1.00 0.40 C ATOM 279 CG2 ILE A 17 7.887 14.119 2.854 1.00 0.39 C ATOM 280 CD1 ILE A 17 5.669 14.276 6.022 1.00 0.68 C ATOM 0 H ILE A 17 7.261 11.861 2.071 1.00 0.27 H new ATOM 0 HA ILE A 17 5.254 12.293 4.123 1.00 0.29 H new ATOM 0 HB ILE A 17 7.534 12.918 4.582 1.00 0.32 H new ATOM 0 HG12 ILE A 17 7.248 15.366 5.095 1.00 0.40 H new ATOM 0 HG13 ILE A 17 5.755 15.341 4.178 1.00 0.40 H new ATOM 0 HG21 ILE A 17 8.681 14.705 3.316 1.00 0.39 H new ATOM 0 HG22 ILE A 17 8.324 13.288 2.301 1.00 0.39 H new ATOM 0 HG23 ILE A 17 7.320 14.751 2.171 1.00 0.39 H new ATOM 0 HD11 ILE A 17 5.316 15.147 6.574 1.00 0.68 H new ATOM 0 HD12 ILE A 17 4.817 13.665 5.726 1.00 0.68 H new ATOM 0 HD13 ILE A 17 6.333 13.689 6.656 1.00 0.68 H new ATOM 292 N LEU A 18 5.152 13.724 1.198 1.00 0.34 N ATOM 293 CA LEU A 18 4.258 14.479 0.330 1.00 0.43 C ATOM 294 C LEU A 18 2.897 13.794 0.313 1.00 0.33 C ATOM 295 O LEU A 18 1.862 14.455 0.273 1.00 0.32 O ATOM 296 CB LEU A 18 4.839 14.673 -1.095 1.00 0.63 C ATOM 297 CG LEU A 18 4.729 13.512 -2.098 1.00 0.76 C ATOM 298 CD1 LEU A 18 3.333 13.416 -2.705 1.00 1.49 C ATOM 299 CD2 LEU A 18 5.755 13.693 -3.203 1.00 1.34 C ATOM 0 H LEU A 18 5.953 13.299 0.732 1.00 0.34 H new ATOM 0 HA LEU A 18 4.144 15.487 0.730 1.00 0.43 H new ATOM 0 HB2 LEU A 18 4.349 15.540 -1.537 1.00 0.63 H new ATOM 0 HB3 LEU A 18 5.895 14.922 -0.991 1.00 0.63 H new ATOM 0 HG LEU A 18 4.921 12.585 -1.557 1.00 0.76 H new ATOM 0 HD11 LEU A 18 3.298 12.583 -3.408 1.00 1.49 H new ATOM 0 HD12 LEU A 18 2.602 13.253 -1.913 1.00 1.49 H new ATOM 0 HD13 LEU A 18 3.100 14.343 -3.229 1.00 1.49 H new ATOM 0 HD21 LEU A 18 5.675 12.869 -3.912 1.00 1.34 H new ATOM 0 HD22 LEU A 18 5.571 14.635 -3.719 1.00 1.34 H new ATOM 0 HD23 LEU A 18 6.756 13.705 -2.772 1.00 1.34 H new ATOM 311 N LEU A 19 2.905 12.464 0.407 1.00 0.31 N ATOM 312 CA LEU A 19 1.665 11.701 0.463 1.00 0.29 C ATOM 313 C LEU A 19 0.982 11.910 1.807 1.00 0.20 C ATOM 314 O LEU A 19 -0.224 11.699 1.941 1.00 0.17 O ATOM 315 CB LEU A 19 1.923 10.212 0.218 1.00 0.37 C ATOM 316 CG LEU A 19 2.314 9.853 -1.217 1.00 0.55 C ATOM 317 CD1 LEU A 19 2.774 8.407 -1.297 1.00 1.32 C ATOM 318 CD2 LEU A 19 1.143 10.081 -2.166 1.00 1.07 C ATOM 0 H LEU A 19 3.753 11.898 0.446 1.00 0.31 H new ATOM 0 HA LEU A 19 1.006 12.061 -0.327 1.00 0.29 H new ATOM 0 HB2 LEU A 19 2.716 9.880 0.889 1.00 0.37 H new ATOM 0 HB3 LEU A 19 1.025 9.654 0.485 1.00 0.37 H new ATOM 0 HG LEU A 19 3.137 10.501 -1.517 1.00 0.55 H new ATOM 0 HD11 LEU A 19 3.048 8.169 -2.325 1.00 1.32 H new ATOM 0 HD12 LEU A 19 3.638 8.264 -0.648 1.00 1.32 H new ATOM 0 HD13 LEU A 19 1.966 7.750 -0.975 1.00 1.32 H new ATOM 0 HD21 LEU A 19 1.441 9.820 -3.181 1.00 1.07 H new ATOM 0 HD22 LEU A 19 0.302 9.457 -1.863 1.00 1.07 H new ATOM 0 HD23 LEU A 19 0.847 11.129 -2.133 1.00 1.07 H new ATOM 330 N ASN A 20 1.755 12.329 2.808 1.00 0.20 N ATOM 331 CA ASN A 20 1.176 12.718 4.085 1.00 0.18 C ATOM 332 C ASN A 20 0.373 13.992 3.892 1.00 0.19 C ATOM 333 O ASN A 20 -0.786 14.081 4.286 1.00 0.20 O ATOM 334 CB ASN A 20 2.240 12.961 5.168 1.00 0.22 C ATOM 335 CG ASN A 20 2.757 11.694 5.815 1.00 0.21 C ATOM 336 OD1 ASN A 20 2.891 11.632 7.034 1.00 0.28 O ATOM 337 ND2 ASN A 20 3.106 10.694 5.023 1.00 0.18 N ATOM 0 H ASN A 20 2.771 12.406 2.758 1.00 0.20 H new ATOM 0 HA ASN A 20 0.544 11.896 4.423 1.00 0.18 H new ATOM 0 HB2 ASN A 20 3.078 13.500 4.726 1.00 0.22 H new ATOM 0 HB3 ASN A 20 1.819 13.605 5.939 1.00 0.22 H new ATOM 0 HD21 ASN A 20 3.499 9.841 5.421 1.00 0.18 H new ATOM 0 HD22 ASN A 20 2.982 10.776 4.014 1.00 0.18 H new ATOM 344 N GLU A 21 1.004 14.971 3.254 1.00 0.25 N ATOM 345 CA GLU A 21 0.365 16.250 2.982 1.00 0.30 C ATOM 346 C GLU A 21 -0.921 16.057 2.177 1.00 0.28 C ATOM 347 O GLU A 21 -1.926 16.726 2.423 1.00 0.34 O ATOM 348 CB GLU A 21 1.328 17.171 2.227 1.00 0.38 C ATOM 349 CG GLU A 21 2.641 17.396 2.956 1.00 0.58 C ATOM 350 CD GLU A 21 3.557 18.365 2.237 1.00 1.35 C ATOM 351 OE1 GLU A 21 4.258 17.939 1.294 1.00 2.02 O ATOM 352 OE2 GLU A 21 3.581 19.560 2.601 1.00 1.93 O ATOM 0 H GLU A 21 1.963 14.901 2.914 1.00 0.25 H new ATOM 0 HA GLU A 21 0.105 16.712 3.935 1.00 0.30 H new ATOM 0 HB2 GLU A 21 1.534 16.744 1.246 1.00 0.38 H new ATOM 0 HB3 GLU A 21 0.844 18.133 2.060 1.00 0.38 H new ATOM 0 HG2 GLU A 21 2.434 17.774 3.957 1.00 0.58 H new ATOM 0 HG3 GLU A 21 3.153 16.441 3.075 1.00 0.58 H new ATOM 359 N VAL A 22 -0.886 15.126 1.228 1.00 0.28 N ATOM 360 CA VAL A 22 -2.049 14.848 0.394 1.00 0.32 C ATOM 361 C VAL A 22 -3.154 14.146 1.185 1.00 0.31 C ATOM 362 O VAL A 22 -4.322 14.530 1.109 1.00 0.47 O ATOM 363 CB VAL A 22 -1.699 13.964 -0.829 1.00 0.43 C ATOM 364 CG1 VAL A 22 -2.877 13.873 -1.788 1.00 0.78 C ATOM 365 CG2 VAL A 22 -0.465 14.479 -1.549 1.00 0.63 C ATOM 0 H VAL A 22 -0.068 14.554 1.018 1.00 0.28 H new ATOM 0 HA VAL A 22 -2.398 15.820 0.047 1.00 0.32 H new ATOM 0 HB VAL A 22 -1.478 12.963 -0.458 1.00 0.43 H new ATOM 0 HG11 VAL A 22 -2.606 13.247 -2.638 1.00 0.78 H new ATOM 0 HG12 VAL A 22 -3.732 13.436 -1.273 1.00 0.78 H new ATOM 0 HG13 VAL A 22 -3.137 14.871 -2.140 1.00 0.78 H new ATOM 0 HG21 VAL A 22 -0.247 13.836 -2.402 1.00 0.63 H new ATOM 0 HG22 VAL A 22 -0.645 15.496 -1.897 1.00 0.63 H new ATOM 0 HG23 VAL A 22 0.384 14.475 -0.865 1.00 0.63 H new ATOM 375 N PHE A 23 -2.787 13.122 1.950 1.00 0.22 N ATOM 376 CA PHE A 23 -3.786 12.225 2.519 1.00 0.20 C ATOM 377 C PHE A 23 -3.903 12.301 4.034 1.00 0.18 C ATOM 378 O PHE A 23 -5.005 12.350 4.548 1.00 0.20 O ATOM 379 CB PHE A 23 -3.495 10.779 2.128 1.00 0.24 C ATOM 380 CG PHE A 23 -3.658 10.480 0.669 1.00 0.27 C ATOM 381 CD1 PHE A 23 -4.909 10.213 0.138 1.00 0.33 C ATOM 382 CD2 PHE A 23 -2.562 10.485 -0.176 1.00 0.42 C ATOM 383 CE1 PHE A 23 -5.063 9.955 -1.210 1.00 0.38 C ATOM 384 CE2 PHE A 23 -2.709 10.225 -1.523 1.00 0.46 C ATOM 385 CZ PHE A 23 -3.963 9.894 -2.027 1.00 0.38 C ATOM 0 H PHE A 23 -1.821 12.895 2.187 1.00 0.22 H new ATOM 0 HA PHE A 23 -4.736 12.561 2.104 1.00 0.20 H new ATOM 0 HB2 PHE A 23 -2.474 10.536 2.423 1.00 0.24 H new ATOM 0 HB3 PHE A 23 -4.156 10.124 2.695 1.00 0.24 H new ATOM 0 HD1 PHE A 23 -5.774 10.206 0.785 1.00 0.33 H new ATOM 0 HD2 PHE A 23 -1.581 10.695 0.223 1.00 0.42 H new ATOM 0 HE1 PHE A 23 -6.050 9.801 -1.621 1.00 0.38 H new ATOM 0 HE2 PHE A 23 -1.855 10.278 -2.183 1.00 0.46 H new ATOM 0 HZ PHE A 23 -4.070 9.590 -3.058 1.00 0.38 H new ATOM 395 N ASN A 24 -2.786 12.297 4.735 1.00 0.17 N ATOM 396 CA ASN A 24 -2.765 12.148 6.198 1.00 0.20 C ATOM 397 C ASN A 24 -3.760 13.064 6.908 1.00 0.23 C ATOM 398 O ASN A 24 -4.267 12.735 7.977 1.00 0.28 O ATOM 399 CB ASN A 24 -1.359 12.435 6.700 1.00 0.20 C ATOM 400 CG ASN A 24 -1.006 11.645 7.938 1.00 0.18 C ATOM 401 OD1 ASN A 24 -1.224 12.084 9.065 1.00 0.19 O ATOM 402 ND2 ASN A 24 -0.439 10.472 7.720 1.00 0.19 N ATOM 0 H ASN A 24 -1.861 12.396 4.317 1.00 0.17 H new ATOM 0 HA ASN A 24 -3.063 11.125 6.428 1.00 0.20 H new ATOM 0 HB2 ASN A 24 -0.643 12.205 5.911 1.00 0.20 H new ATOM 0 HB3 ASN A 24 -1.265 13.499 6.915 1.00 0.20 H new ATOM 0 HD21 ASN A 24 -0.161 9.886 8.507 1.00 0.19 H new ATOM 0 HD22 ASN A 24 -0.280 10.152 6.765 1.00 0.19 H new ATOM 409 N LYS A 25 -4.041 14.204 6.305 1.00 0.25 N ATOM 410 CA LYS A 25 -4.945 15.172 6.901 1.00 0.32 C ATOM 411 C LYS A 25 -6.406 14.847 6.596 1.00 0.30 C ATOM 412 O LYS A 25 -7.290 15.045 7.431 1.00 0.38 O ATOM 413 CB LYS A 25 -4.629 16.576 6.378 1.00 0.45 C ATOM 414 CG LYS A 25 -3.191 16.763 5.911 1.00 0.51 C ATOM 415 CD LYS A 25 -2.195 16.600 7.053 1.00 1.10 C ATOM 416 CE LYS A 25 -2.482 17.556 8.198 1.00 1.44 C ATOM 417 NZ LYS A 25 -2.348 18.980 7.792 1.00 1.75 N ATOM 0 H LYS A 25 -3.657 14.483 5.402 1.00 0.25 H new ATOM 0 HA LYS A 25 -4.800 15.129 7.980 1.00 0.32 H new ATOM 0 HB2 LYS A 25 -5.300 16.802 5.549 1.00 0.45 H new ATOM 0 HB3 LYS A 25 -4.840 17.300 7.165 1.00 0.45 H new ATOM 0 HG2 LYS A 25 -2.967 16.039 5.128 1.00 0.51 H new ATOM 0 HG3 LYS A 25 -3.079 17.754 5.470 1.00 0.51 H new ATOM 0 HD2 LYS A 25 -2.229 15.574 7.420 1.00 1.10 H new ATOM 0 HD3 LYS A 25 -1.185 16.773 6.681 1.00 1.10 H new ATOM 0 HE2 LYS A 25 -3.491 17.380 8.571 1.00 1.44 H new ATOM 0 HE3 LYS A 25 -1.798 17.349 9.021 1.00 1.44 H new ATOM 0 HZ1 LYS A 25 -2.470 19.591 8.625 1.00 1.75 H new ATOM 0 HZ2 LYS A 25 -1.405 19.137 7.382 1.00 1.75 H new ATOM 0 HZ3 LYS A 25 -3.075 19.209 7.085 1.00 1.75 H new ATOM 431 N GLU A 26 -6.648 14.340 5.397 1.00 0.29 N ATOM 432 CA GLU A 26 -8.002 14.224 4.867 1.00 0.35 C ATOM 433 C GLU A 26 -8.237 12.864 4.209 1.00 0.33 C ATOM 434 O GLU A 26 -9.245 12.206 4.465 1.00 0.45 O ATOM 435 CB GLU A 26 -8.233 15.351 3.855 1.00 0.43 C ATOM 436 CG GLU A 26 -7.111 15.471 2.829 1.00 0.42 C ATOM 437 CD GLU A 26 -7.299 16.621 1.867 1.00 0.54 C ATOM 438 OE1 GLU A 26 -8.004 16.442 0.852 1.00 0.75 O ATOM 439 OE2 GLU A 26 -6.725 17.702 2.111 1.00 0.61 O ATOM 0 H GLU A 26 -5.921 14.000 4.768 1.00 0.29 H new ATOM 0 HA GLU A 26 -8.709 14.308 5.692 1.00 0.35 H new ATOM 0 HB2 GLU A 26 -9.176 15.178 3.336 1.00 0.43 H new ATOM 0 HB3 GLU A 26 -8.332 16.296 4.389 1.00 0.43 H new ATOM 0 HG2 GLU A 26 -6.162 15.595 3.351 1.00 0.42 H new ATOM 0 HG3 GLU A 26 -7.044 14.541 2.264 1.00 0.42 H new ATOM 446 N GLY A 27 -7.297 12.453 3.368 1.00 0.25 N ATOM 447 CA GLY A 27 -7.418 11.209 2.645 1.00 0.26 C ATOM 448 C GLY A 27 -7.232 10.001 3.533 1.00 0.20 C ATOM 449 O GLY A 27 -8.191 9.276 3.777 1.00 0.22 O ATOM 0 H GLY A 27 -6.440 12.971 3.174 1.00 0.25 H new ATOM 0 HA2 GLY A 27 -8.400 11.161 2.173 1.00 0.26 H new ATOM 0 HA3 GLY A 27 -6.678 11.185 1.845 1.00 0.26 H new ATOM 453 N TYR A 28 -6.001 9.781 4.011 1.00 0.22 N ATOM 454 CA TYR A 28 -5.681 8.629 4.858 1.00 0.17 C ATOM 455 C TYR A 28 -4.448 8.894 5.715 1.00 0.31 C ATOM 456 O TYR A 28 -3.631 9.729 5.384 1.00 0.84 O ATOM 457 CB TYR A 28 -5.408 7.368 4.030 1.00 0.19 C ATOM 458 CG TYR A 28 -6.577 6.881 3.197 1.00 0.26 C ATOM 459 CD1 TYR A 28 -7.525 6.022 3.737 1.00 0.36 C ATOM 460 CD2 TYR A 28 -6.735 7.287 1.876 1.00 0.32 C ATOM 461 CE1 TYR A 28 -8.599 5.582 2.991 1.00 0.47 C ATOM 462 CE2 TYR A 28 -7.809 6.855 1.124 1.00 0.42 C ATOM 463 CZ TYR A 28 -8.740 6.002 1.686 1.00 0.50 C ATOM 464 OH TYR A 28 -9.818 5.575 0.943 1.00 0.62 O ATOM 0 H TYR A 28 -5.206 10.392 3.823 1.00 0.22 H new ATOM 0 HA TYR A 28 -6.555 8.473 5.490 1.00 0.17 H new ATOM 0 HB2 TYR A 28 -4.565 7.563 3.367 1.00 0.19 H new ATOM 0 HB3 TYR A 28 -5.104 6.568 4.705 1.00 0.19 H new ATOM 0 HD1 TYR A 28 -7.420 5.692 4.760 1.00 0.36 H new ATOM 0 HD2 TYR A 28 -6.007 7.950 1.432 1.00 0.32 H new ATOM 0 HE1 TYR A 28 -9.325 4.912 3.427 1.00 0.47 H new ATOM 0 HE2 TYR A 28 -7.921 7.182 0.101 1.00 0.42 H new ATOM 0 HH TYR A 28 -10.581 5.415 1.536 1.00 0.62 H new ATOM 474 N GLN A 29 -4.306 8.098 6.764 1.00 0.20 N ATOM 475 CA GLN A 29 -3.197 8.161 7.731 1.00 0.15 C ATOM 476 C GLN A 29 -1.940 7.650 7.082 1.00 0.17 C ATOM 477 O GLN A 29 -1.374 6.649 7.507 1.00 0.34 O ATOM 478 CB GLN A 29 -3.518 7.268 8.933 1.00 0.19 C ATOM 479 CG GLN A 29 -2.517 7.286 10.089 1.00 0.28 C ATOM 480 CD GLN A 29 -2.001 8.656 10.440 1.00 0.74 C ATOM 481 OE1 GLN A 29 -2.606 9.388 11.218 1.00 1.50 O ATOM 482 NE2 GLN A 29 -0.837 8.973 9.920 1.00 0.53 N ATOM 0 H GLN A 29 -4.978 7.362 6.982 1.00 0.20 H new ATOM 0 HA GLN A 29 -3.061 9.193 8.055 1.00 0.15 H new ATOM 0 HB2 GLN A 29 -4.493 7.560 9.323 1.00 0.19 H new ATOM 0 HB3 GLN A 29 -3.610 6.241 8.579 1.00 0.19 H new ATOM 0 HG2 GLN A 29 -2.989 6.852 10.970 1.00 0.28 H new ATOM 0 HG3 GLN A 29 -1.672 6.647 9.833 1.00 0.28 H new ATOM 0 HE21 GLN A 29 -0.373 8.330 9.278 1.00 0.53 H new ATOM 0 HE22 GLN A 29 -0.397 9.862 10.159 1.00 0.53 H new ATOM 491 N THR A 30 -1.521 8.324 6.055 1.00 0.12 N ATOM 492 CA THR A 30 -0.426 7.861 5.263 1.00 0.13 C ATOM 493 C THR A 30 0.883 8.166 5.962 1.00 0.13 C ATOM 494 O THR A 30 1.211 9.312 6.173 1.00 0.17 O ATOM 495 CB THR A 30 -0.465 8.518 3.886 1.00 0.14 C ATOM 496 OG1 THR A 30 -0.407 9.945 4.016 1.00 0.18 O ATOM 497 CG2 THR A 30 -1.734 8.146 3.145 1.00 0.16 C ATOM 0 H THR A 30 -1.927 9.207 5.744 1.00 0.12 H new ATOM 0 HA THR A 30 -0.507 6.782 5.135 1.00 0.13 H new ATOM 0 HB THR A 30 0.397 8.161 3.322 1.00 0.14 H new ATOM 0 HG1 THR A 30 -0.423 10.355 3.126 1.00 0.18 H new ATOM 0 HG21 THR A 30 -1.738 8.627 2.167 1.00 0.16 H new ATOM 0 HG22 THR A 30 -1.777 7.064 3.018 1.00 0.16 H new ATOM 0 HG23 THR A 30 -2.600 8.479 3.717 1.00 0.16 H new ATOM 505 N PHE A 31 1.625 7.156 6.347 1.00 0.13 N ATOM 506 CA PHE A 31 2.860 7.405 7.063 1.00 0.14 C ATOM 507 C PHE A 31 4.044 6.989 6.189 1.00 0.13 C ATOM 508 O PHE A 31 3.860 6.363 5.147 1.00 0.14 O ATOM 509 CB PHE A 31 2.881 6.642 8.393 1.00 0.17 C ATOM 510 CG PHE A 31 3.537 7.400 9.515 1.00 0.24 C ATOM 511 CD1 PHE A 31 4.903 7.301 9.726 1.00 0.29 C ATOM 512 CD2 PHE A 31 2.790 8.210 10.355 1.00 0.37 C ATOM 513 CE1 PHE A 31 5.513 7.996 10.753 1.00 0.36 C ATOM 514 CE2 PHE A 31 3.394 8.906 11.385 1.00 0.45 C ATOM 515 CZ PHE A 31 4.743 8.805 11.588 1.00 0.42 C ATOM 0 H PHE A 31 1.406 6.173 6.183 1.00 0.13 H new ATOM 0 HA PHE A 31 2.933 8.469 7.287 1.00 0.14 H new ATOM 0 HB2 PHE A 31 1.857 6.400 8.679 1.00 0.17 H new ATOM 0 HB3 PHE A 31 3.404 5.696 8.251 1.00 0.17 H new ATOM 0 HD1 PHE A 31 5.498 6.673 9.080 1.00 0.29 H new ATOM 0 HD2 PHE A 31 1.724 8.298 10.203 1.00 0.37 H new ATOM 0 HE1 PHE A 31 6.579 7.913 10.908 1.00 0.36 H new ATOM 0 HE2 PHE A 31 2.798 9.532 12.032 1.00 0.45 H new ATOM 0 HZ PHE A 31 5.211 9.351 12.394 1.00 0.42 H new ATOM 525 N GLN A 32 5.247 7.324 6.618 1.00 0.14 N ATOM 526 CA GLN A 32 6.443 7.077 5.827 1.00 0.16 C ATOM 527 C GLN A 32 7.272 5.962 6.440 1.00 0.17 C ATOM 528 O GLN A 32 7.494 5.946 7.648 1.00 0.20 O ATOM 529 CB GLN A 32 7.278 8.353 5.779 1.00 0.21 C ATOM 530 CG GLN A 32 6.423 9.598 5.692 1.00 0.76 C ATOM 531 CD GLN A 32 6.606 10.527 6.870 1.00 0.33 C ATOM 532 OE1 GLN A 32 7.678 10.600 7.467 1.00 0.51 O ATOM 533 NE2 GLN A 32 5.548 11.235 7.215 1.00 0.52 N ATOM 0 H GLN A 32 5.424 7.772 7.517 1.00 0.14 H new ATOM 0 HA GLN A 32 6.145 6.779 4.822 1.00 0.16 H new ATOM 0 HB2 GLN A 32 7.905 8.407 6.669 1.00 0.21 H new ATOM 0 HB3 GLN A 32 7.947 8.314 4.919 1.00 0.21 H new ATOM 0 HG2 GLN A 32 6.664 10.134 4.774 1.00 0.76 H new ATOM 0 HG3 GLN A 32 5.375 9.307 5.626 1.00 0.76 H new ATOM 0 HE21 GLN A 32 4.679 11.142 6.690 1.00 0.52 H new ATOM 0 HE22 GLN A 32 5.599 11.876 8.007 1.00 0.52 H new ATOM 542 N ALA A 33 7.716 5.025 5.613 1.00 0.18 N ATOM 543 CA ALA A 33 8.553 3.943 6.094 1.00 0.19 C ATOM 544 C ALA A 33 9.841 3.812 5.292 1.00 0.18 C ATOM 545 O ALA A 33 9.837 3.826 4.053 1.00 0.20 O ATOM 546 CB ALA A 33 7.792 2.631 6.089 1.00 0.20 C ATOM 0 H ALA A 33 7.511 4.995 4.614 1.00 0.18 H new ATOM 0 HA ALA A 33 8.831 4.187 7.119 1.00 0.19 H new ATOM 0 HB1 ALA A 33 8.439 1.833 6.454 1.00 0.20 H new ATOM 0 HB2 ALA A 33 6.919 2.714 6.736 1.00 0.20 H new ATOM 0 HB3 ALA A 33 7.470 2.401 5.073 1.00 0.20 H new ATOM 552 N ALA A 34 10.942 3.734 6.034 1.00 0.18 N ATOM 553 CA ALA A 34 12.253 3.448 5.475 1.00 0.20 C ATOM 554 C ALA A 34 12.567 1.961 5.588 1.00 0.17 C ATOM 555 O ALA A 34 13.493 1.465 4.963 1.00 0.21 O ATOM 556 CB ALA A 34 13.312 4.266 6.188 1.00 0.27 C ATOM 0 H ALA A 34 10.946 3.869 7.045 1.00 0.18 H new ATOM 0 HA ALA A 34 12.250 3.720 4.420 1.00 0.20 H new ATOM 0 HB1 ALA A 34 14.291 4.045 5.762 1.00 0.27 H new ATOM 0 HB2 ALA A 34 13.095 5.327 6.067 1.00 0.27 H new ATOM 0 HB3 ALA A 34 13.313 4.015 7.249 1.00 0.27 H new ATOM 562 N ASN A 35 11.813 1.252 6.414 1.00 0.16 N ATOM 563 CA ASN A 35 11.903 -0.203 6.450 1.00 0.20 C ATOM 564 C ASN A 35 10.513 -0.773 6.605 1.00 0.21 C ATOM 565 O ASN A 35 9.621 -0.103 7.127 1.00 0.18 O ATOM 566 CB ASN A 35 12.776 -0.716 7.605 1.00 0.25 C ATOM 567 CG ASN A 35 13.588 0.362 8.292 1.00 0.27 C ATOM 568 OD1 ASN A 35 14.705 0.671 7.889 1.00 0.39 O ATOM 569 ND2 ASN A 35 13.035 0.923 9.356 1.00 0.22 N ATOM 0 H ASN A 35 11.137 1.654 7.064 1.00 0.16 H new ATOM 0 HA ASN A 35 12.368 -0.525 5.518 1.00 0.20 H new ATOM 0 HB2 ASN A 35 12.136 -1.200 8.343 1.00 0.25 H new ATOM 0 HB3 ASN A 35 13.454 -1.479 7.223 1.00 0.25 H new ATOM 0 HD21 ASN A 35 13.540 1.642 9.874 1.00 0.22 H new ATOM 0 HD22 ASN A 35 12.104 0.637 9.657 1.00 0.22 H new ATOM 576 N GLY A 36 10.326 -2.002 6.158 1.00 0.29 N ATOM 577 CA GLY A 36 9.061 -2.673 6.366 1.00 0.33 C ATOM 578 C GLY A 36 8.769 -2.854 7.839 1.00 0.30 C ATOM 579 O GLY A 36 7.619 -2.926 8.251 1.00 0.30 O ATOM 0 H GLY A 36 11.026 -2.548 5.655 1.00 0.29 H new ATOM 0 HA2 GLY A 36 8.261 -2.096 5.903 1.00 0.33 H new ATOM 0 HA3 GLY A 36 9.078 -3.646 5.874 1.00 0.33 H new ATOM 583 N LEU A 37 9.823 -2.906 8.638 1.00 0.31 N ATOM 584 CA LEU A 37 9.680 -3.022 10.076 1.00 0.31 C ATOM 585 C LEU A 37 9.235 -1.694 10.662 1.00 0.24 C ATOM 586 O LEU A 37 8.521 -1.659 11.655 1.00 0.25 O ATOM 587 CB LEU A 37 10.993 -3.475 10.703 1.00 0.40 C ATOM 588 CG LEU A 37 11.364 -4.936 10.444 1.00 0.76 C ATOM 589 CD1 LEU A 37 12.643 -5.299 11.178 1.00 1.52 C ATOM 590 CD2 LEU A 37 10.228 -5.860 10.861 1.00 1.36 C ATOM 0 H LEU A 37 10.789 -2.869 8.311 1.00 0.31 H new ATOM 0 HA LEU A 37 8.920 -3.771 10.298 1.00 0.31 H new ATOM 0 HB2 LEU A 37 11.795 -2.840 10.327 1.00 0.40 H new ATOM 0 HB3 LEU A 37 10.938 -3.315 11.780 1.00 0.40 H new ATOM 0 HG LEU A 37 11.533 -5.062 9.375 1.00 0.76 H new ATOM 0 HD11 LEU A 37 12.891 -6.342 10.982 1.00 1.52 H new ATOM 0 HD12 LEU A 37 13.456 -4.661 10.830 1.00 1.52 H new ATOM 0 HD13 LEU A 37 12.501 -5.155 12.249 1.00 1.52 H new ATOM 0 HD21 LEU A 37 10.511 -6.895 10.669 1.00 1.36 H new ATOM 0 HD22 LEU A 37 10.025 -5.731 11.924 1.00 1.36 H new ATOM 0 HD23 LEU A 37 9.333 -5.617 10.289 1.00 1.36 H new ATOM 602 N GLN A 38 9.648 -0.598 10.027 1.00 0.20 N ATOM 603 CA GLN A 38 9.150 0.715 10.395 1.00 0.16 C ATOM 604 C GLN A 38 7.669 0.775 10.041 1.00 0.16 C ATOM 605 O GLN A 38 6.852 1.335 10.769 1.00 0.17 O ATOM 606 CB GLN A 38 9.936 1.809 9.660 1.00 0.15 C ATOM 607 CG GLN A 38 9.888 3.178 10.332 1.00 0.19 C ATOM 608 CD GLN A 38 8.523 3.841 10.282 1.00 0.23 C ATOM 609 OE1 GLN A 38 8.150 4.581 11.189 1.00 0.50 O ATOM 610 NE2 GLN A 38 7.778 3.596 9.214 1.00 0.17 N ATOM 0 H GLN A 38 10.322 -0.598 9.261 1.00 0.20 H new ATOM 0 HA GLN A 38 9.279 0.884 11.464 1.00 0.16 H new ATOM 0 HB2 GLN A 38 10.977 1.496 9.574 1.00 0.15 H new ATOM 0 HB3 GLN A 38 9.546 1.901 8.646 1.00 0.15 H new ATOM 0 HG2 GLN A 38 10.191 3.071 11.374 1.00 0.19 H new ATOM 0 HG3 GLN A 38 10.617 3.832 9.853 1.00 0.19 H new ATOM 0 HE21 GLN A 38 8.124 2.975 8.482 1.00 0.17 H new ATOM 0 HE22 GLN A 38 6.859 4.028 9.124 1.00 0.17 H new ATOM 619 N ALA A 39 7.332 0.170 8.912 1.00 0.18 N ATOM 620 CA ALA A 39 5.949 0.071 8.491 1.00 0.22 C ATOM 621 C ALA A 39 5.153 -0.723 9.512 1.00 0.27 C ATOM 622 O ALA A 39 4.066 -0.320 9.905 1.00 0.32 O ATOM 623 CB ALA A 39 5.859 -0.574 7.120 1.00 0.25 C ATOM 0 H ALA A 39 8.001 -0.259 8.272 1.00 0.18 H new ATOM 0 HA ALA A 39 5.526 1.073 8.423 1.00 0.22 H new ATOM 0 HB1 ALA A 39 4.814 -0.641 6.818 1.00 0.25 H new ATOM 0 HB2 ALA A 39 6.408 0.030 6.397 1.00 0.25 H new ATOM 0 HB3 ALA A 39 6.291 -1.574 7.159 1.00 0.25 H new ATOM 629 N LEU A 40 5.727 -1.836 9.960 1.00 0.29 N ATOM 630 CA LEU A 40 5.107 -2.685 10.969 1.00 0.33 C ATOM 631 C LEU A 40 5.009 -1.927 12.287 1.00 0.29 C ATOM 632 O LEU A 40 4.052 -2.093 13.045 1.00 0.30 O ATOM 633 CB LEU A 40 5.924 -3.981 11.125 1.00 0.39 C ATOM 634 CG LEU A 40 5.354 -5.044 12.074 1.00 0.47 C ATOM 635 CD1 LEU A 40 5.827 -6.424 11.651 1.00 1.47 C ATOM 636 CD2 LEU A 40 5.775 -4.777 13.513 1.00 1.42 C ATOM 0 H LEU A 40 6.633 -2.173 9.634 1.00 0.29 H new ATOM 0 HA LEU A 40 4.098 -2.955 10.659 1.00 0.33 H new ATOM 0 HB2 LEU A 40 6.039 -4.431 10.139 1.00 0.39 H new ATOM 0 HB3 LEU A 40 6.922 -3.714 11.472 1.00 0.39 H new ATOM 0 HG LEU A 40 4.266 -4.998 12.019 1.00 0.47 H new ATOM 0 HD11 LEU A 40 5.418 -7.173 12.330 1.00 1.47 H new ATOM 0 HD12 LEU A 40 5.487 -6.630 10.636 1.00 1.47 H new ATOM 0 HD13 LEU A 40 6.916 -6.461 11.683 1.00 1.47 H new ATOM 0 HD21 LEU A 40 5.357 -5.546 14.163 1.00 1.42 H new ATOM 0 HD22 LEU A 40 6.863 -4.795 13.583 1.00 1.42 H new ATOM 0 HD23 LEU A 40 5.407 -3.799 13.824 1.00 1.42 H new ATOM 648 N ASP A 41 6.006 -1.086 12.535 1.00 0.27 N ATOM 649 CA ASP A 41 6.013 -0.202 13.693 1.00 0.27 C ATOM 650 C ASP A 41 4.738 0.623 13.703 1.00 0.26 C ATOM 651 O ASP A 41 4.026 0.681 14.696 1.00 0.32 O ATOM 652 CB ASP A 41 7.214 0.738 13.632 1.00 0.27 C ATOM 653 CG ASP A 41 7.861 0.975 14.977 1.00 0.55 C ATOM 654 OD1 ASP A 41 8.500 0.042 15.512 1.00 1.31 O ATOM 655 OD2 ASP A 41 7.770 2.110 15.483 1.00 0.86 O ATOM 0 H ASP A 41 6.830 -0.998 11.940 1.00 0.27 H new ATOM 0 HA ASP A 41 6.076 -0.806 14.598 1.00 0.27 H new ATOM 0 HB2 ASP A 41 7.955 0.324 12.949 1.00 0.27 H new ATOM 0 HB3 ASP A 41 6.896 1.694 13.217 1.00 0.27 H new ATOM 660 N ILE A 42 4.440 1.240 12.571 1.00 0.22 N ATOM 661 CA ILE A 42 3.239 2.045 12.455 1.00 0.23 C ATOM 662 C ILE A 42 2.001 1.159 12.338 1.00 0.24 C ATOM 663 O ILE A 42 0.920 1.542 12.761 1.00 0.26 O ATOM 664 CB ILE A 42 3.291 3.005 11.253 1.00 0.22 C ATOM 665 CG1 ILE A 42 4.611 3.796 11.239 1.00 0.20 C ATOM 666 CG2 ILE A 42 2.091 3.946 11.304 1.00 0.28 C ATOM 667 CD1 ILE A 42 4.821 4.658 12.469 1.00 0.22 C ATOM 0 H ILE A 42 5.010 1.199 11.726 1.00 0.22 H new ATOM 0 HA ILE A 42 3.179 2.643 13.364 1.00 0.23 H new ATOM 0 HB ILE A 42 3.248 2.425 10.331 1.00 0.22 H new ATOM 0 HG12 ILE A 42 5.442 3.096 11.151 1.00 0.20 H new ATOM 0 HG13 ILE A 42 4.634 4.431 10.353 1.00 0.20 H new ATOM 0 HG21 ILE A 42 2.126 4.627 10.453 1.00 0.28 H new ATOM 0 HG22 ILE A 42 1.170 3.364 11.265 1.00 0.28 H new ATOM 0 HG23 ILE A 42 2.118 4.521 12.230 1.00 0.28 H new ATOM 0 HD11 ILE A 42 5.772 5.184 12.386 1.00 0.22 H new ATOM 0 HD12 ILE A 42 4.011 5.383 12.548 1.00 0.22 H new ATOM 0 HD13 ILE A 42 4.832 4.027 13.358 1.00 0.22 H new ATOM 679 N VAL A 43 2.155 -0.030 11.781 1.00 0.25 N ATOM 680 CA VAL A 43 1.037 -0.961 11.679 1.00 0.29 C ATOM 681 C VAL A 43 0.577 -1.400 13.070 1.00 0.36 C ATOM 682 O VAL A 43 -0.594 -1.706 13.279 1.00 0.44 O ATOM 683 CB VAL A 43 1.387 -2.188 10.799 1.00 0.36 C ATOM 684 CG1 VAL A 43 0.351 -3.299 10.940 1.00 0.86 C ATOM 685 CG2 VAL A 43 1.489 -1.767 9.343 1.00 0.82 C ATOM 0 H VAL A 43 3.034 -0.374 11.395 1.00 0.25 H new ATOM 0 HA VAL A 43 0.215 -0.438 11.190 1.00 0.29 H new ATOM 0 HB VAL A 43 2.346 -2.578 11.140 1.00 0.36 H new ATOM 0 HG11 VAL A 43 0.632 -4.141 10.308 1.00 0.86 H new ATOM 0 HG12 VAL A 43 0.306 -3.625 11.979 1.00 0.86 H new ATOM 0 HG13 VAL A 43 -0.626 -2.926 10.634 1.00 0.86 H new ATOM 0 HG21 VAL A 43 1.735 -2.634 8.730 1.00 0.82 H new ATOM 0 HG22 VAL A 43 0.536 -1.351 9.017 1.00 0.82 H new ATOM 0 HG23 VAL A 43 2.269 -1.014 9.236 1.00 0.82 H new ATOM 695 N THR A 44 1.492 -1.397 14.029 1.00 0.36 N ATOM 696 CA THR A 44 1.131 -1.707 15.406 1.00 0.43 C ATOM 697 C THR A 44 0.810 -0.416 16.165 1.00 0.44 C ATOM 698 O THR A 44 0.061 -0.427 17.140 1.00 0.52 O ATOM 699 CB THR A 44 2.243 -2.511 16.133 1.00 0.45 C ATOM 700 OG1 THR A 44 1.749 -3.016 17.380 1.00 0.54 O ATOM 701 CG2 THR A 44 3.480 -1.668 16.398 1.00 0.42 C ATOM 0 H THR A 44 2.479 -1.186 13.883 1.00 0.36 H new ATOM 0 HA THR A 44 0.244 -2.340 15.384 1.00 0.43 H new ATOM 0 HB THR A 44 2.525 -3.333 15.475 1.00 0.45 H new ATOM 0 HG1 THR A 44 2.456 -3.523 17.831 1.00 0.54 H new ATOM 0 HG21 THR A 44 4.230 -2.273 16.908 1.00 0.42 H new ATOM 0 HG22 THR A 44 3.885 -1.309 15.452 1.00 0.42 H new ATOM 0 HG23 THR A 44 3.213 -0.817 17.024 1.00 0.42 H new ATOM 709 N LYS A 45 1.354 0.699 15.681 1.00 0.39 N ATOM 710 CA LYS A 45 1.152 1.996 16.320 1.00 0.41 C ATOM 711 C LYS A 45 -0.130 2.682 15.866 1.00 0.40 C ATOM 712 O LYS A 45 -1.025 2.917 16.668 1.00 0.45 O ATOM 713 CB LYS A 45 2.345 2.900 16.028 1.00 0.40 C ATOM 714 CG LYS A 45 3.498 2.692 16.994 1.00 0.47 C ATOM 715 CD LYS A 45 4.758 3.424 16.556 1.00 0.56 C ATOM 716 CE LYS A 45 5.827 3.347 17.635 1.00 1.19 C ATOM 717 NZ LYS A 45 7.109 3.958 17.198 1.00 2.01 N ATOM 0 H LYS A 45 1.939 0.729 14.846 1.00 0.39 H new ATOM 0 HA LYS A 45 1.061 1.817 17.391 1.00 0.41 H new ATOM 0 HB2 LYS A 45 2.693 2.716 15.011 1.00 0.40 H new ATOM 0 HB3 LYS A 45 2.024 3.941 16.072 1.00 0.40 H new ATOM 0 HG2 LYS A 45 3.205 3.038 17.985 1.00 0.47 H new ATOM 0 HG3 LYS A 45 3.710 1.626 17.078 1.00 0.47 H new ATOM 0 HD2 LYS A 45 5.135 2.987 15.631 1.00 0.56 H new ATOM 0 HD3 LYS A 45 4.523 4.467 16.343 1.00 0.56 H new ATOM 0 HE2 LYS A 45 5.472 3.853 18.533 1.00 1.19 H new ATOM 0 HE3 LYS A 45 5.996 2.304 17.903 1.00 1.19 H new ATOM 0 HZ1 LYS A 45 7.837 3.794 17.923 1.00 2.01 H new ATOM 0 HZ2 LYS A 45 7.411 3.528 16.301 1.00 2.01 H new ATOM 0 HZ3 LYS A 45 6.978 4.981 17.065 1.00 2.01 H new ATOM 731 N GLU A 46 -0.217 3.005 14.585 1.00 0.35 N ATOM 732 CA GLU A 46 -1.384 3.697 14.048 1.00 0.37 C ATOM 733 C GLU A 46 -2.368 2.725 13.401 1.00 0.37 C ATOM 734 O GLU A 46 -3.556 3.022 13.272 1.00 0.41 O ATOM 735 CB GLU A 46 -0.927 4.729 13.026 1.00 0.36 C ATOM 736 CG GLU A 46 -0.010 5.782 13.620 1.00 0.39 C ATOM 737 CD GLU A 46 -0.700 6.582 14.702 1.00 1.36 C ATOM 738 OE1 GLU A 46 -1.561 7.421 14.372 1.00 2.00 O ATOM 739 OE2 GLU A 46 -0.368 6.386 15.889 1.00 2.01 O ATOM 0 H GLU A 46 0.506 2.800 13.895 1.00 0.35 H new ATOM 0 HA GLU A 46 -1.901 4.188 14.873 1.00 0.37 H new ATOM 0 HB2 GLU A 46 -0.410 4.222 12.211 1.00 0.36 H new ATOM 0 HB3 GLU A 46 -1.801 5.217 12.594 1.00 0.36 H new ATOM 0 HG2 GLU A 46 0.876 5.301 14.033 1.00 0.39 H new ATOM 0 HG3 GLU A 46 0.330 6.454 12.832 1.00 0.39 H new ATOM 746 N ARG A 47 -1.853 1.573 12.998 1.00 0.35 N ATOM 747 CA ARG A 47 -2.623 0.545 12.297 1.00 0.35 C ATOM 748 C ARG A 47 -3.205 1.050 10.977 1.00 0.26 C ATOM 749 O ARG A 47 -4.423 1.036 10.811 1.00 0.31 O ATOM 750 CB ARG A 47 -3.773 -0.020 13.134 1.00 0.48 C ATOM 751 CG ARG A 47 -3.347 -1.008 14.191 1.00 0.73 C ATOM 752 CD ARG A 47 -3.066 -0.276 15.466 1.00 1.59 C ATOM 753 NE ARG A 47 -4.317 0.131 16.126 1.00 2.33 N ATOM 754 CZ ARG A 47 -4.502 1.282 16.784 1.00 3.40 C ATOM 755 NH1 ARG A 47 -3.516 2.151 16.918 1.00 3.94 N ATOM 756 NH2 ARG A 47 -5.687 1.562 17.312 1.00 4.15 N ATOM 0 H ARG A 47 -0.877 1.318 13.148 1.00 0.35 H new ATOM 0 HA ARG A 47 -1.900 -0.247 12.103 1.00 0.35 H new ATOM 0 HB2 ARG A 47 -4.296 0.806 13.616 1.00 0.48 H new ATOM 0 HB3 ARG A 47 -4.487 -0.504 12.468 1.00 0.48 H new ATOM 0 HG2 ARG A 47 -4.130 -1.750 14.349 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -2.458 -1.547 13.864 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -2.488 -0.913 16.135 1.00 1.59 H new ATOM 0 HD3 ARG A 47 -2.457 0.604 15.258 1.00 1.59 H new ATOM 0 HE ARG A 47 -5.105 -0.515 16.078 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -2.600 1.949 16.518 1.00 3.94 H new ATOM 0 HH12 ARG A 47 -3.671 3.024 17.422 1.00 3.94 H new ATOM 0 HH21 ARG A 47 -6.457 0.900 17.217 1.00 4.15 H new ATOM 0 HH22 ARG A 47 -5.828 2.439 17.813 1.00 4.15 H new ATOM 770 N PRO A 48 -2.381 1.518 10.018 1.00 0.19 N ATOM 771 CA PRO A 48 -2.897 1.901 8.707 1.00 0.17 C ATOM 772 C PRO A 48 -3.495 0.701 7.983 1.00 0.22 C ATOM 773 O PRO A 48 -2.972 -0.411 8.070 1.00 0.33 O ATOM 774 CB PRO A 48 -1.687 2.440 7.958 1.00 0.19 C ATOM 775 CG PRO A 48 -0.669 2.719 9.011 1.00 0.22 C ATOM 776 CD PRO A 48 -0.928 1.723 10.108 1.00 0.22 C ATOM 0 HA PRO A 48 -3.697 2.637 8.780 1.00 0.17 H new ATOM 0 HB2 PRO A 48 -1.316 1.714 7.234 1.00 0.19 H new ATOM 0 HB3 PRO A 48 -1.938 3.344 7.403 1.00 0.19 H new ATOM 0 HG2 PRO A 48 0.341 2.611 8.616 1.00 0.22 H new ATOM 0 HG3 PRO A 48 -0.759 3.740 9.381 1.00 0.22 H new ATOM 0 HD2 PRO A 48 -0.377 0.795 9.952 1.00 0.22 H new ATOM 0 HD3 PRO A 48 -0.633 2.109 11.084 1.00 0.22 H new ATOM 784 N ASP A 49 -4.581 0.924 7.266 1.00 0.23 N ATOM 785 CA ASP A 49 -5.332 -0.172 6.678 1.00 0.29 C ATOM 786 C ASP A 49 -4.746 -0.537 5.325 1.00 0.25 C ATOM 787 O ASP A 49 -4.832 -1.683 4.887 1.00 0.31 O ATOM 788 CB ASP A 49 -6.811 0.206 6.548 1.00 0.37 C ATOM 789 CG ASP A 49 -7.706 -0.994 6.306 1.00 1.20 C ATOM 790 OD1 ASP A 49 -7.984 -1.737 7.276 1.00 1.40 O ATOM 791 OD2 ASP A 49 -8.149 -1.194 5.157 1.00 2.12 O ATOM 0 H ASP A 49 -4.963 1.851 7.077 1.00 0.23 H new ATOM 0 HA ASP A 49 -5.260 -1.042 7.331 1.00 0.29 H new ATOM 0 HB2 ASP A 49 -7.132 0.715 7.457 1.00 0.37 H new ATOM 0 HB3 ASP A 49 -6.930 0.913 5.727 1.00 0.37 H new ATOM 796 N LEU A 50 -4.120 0.440 4.675 1.00 0.21 N ATOM 797 CA LEU A 50 -3.492 0.205 3.380 1.00 0.22 C ATOM 798 C LEU A 50 -1.999 0.370 3.525 1.00 0.19 C ATOM 799 O LEU A 50 -1.552 1.272 4.212 1.00 0.20 O ATOM 800 CB LEU A 50 -4.012 1.175 2.311 1.00 0.28 C ATOM 801 CG LEU A 50 -5.423 0.916 1.751 1.00 0.46 C ATOM 802 CD1 LEU A 50 -6.475 0.881 2.845 1.00 1.39 C ATOM 803 CD2 LEU A 50 -5.780 1.985 0.735 1.00 1.21 C ATOM 0 H LEU A 50 -4.035 1.396 5.021 1.00 0.21 H new ATOM 0 HA LEU A 50 -3.738 -0.807 3.058 1.00 0.22 H new ATOM 0 HB2 LEU A 50 -3.995 2.181 2.731 1.00 0.28 H new ATOM 0 HB3 LEU A 50 -3.311 1.166 1.477 1.00 0.28 H new ATOM 0 HG LEU A 50 -5.409 -0.063 1.273 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -7.454 0.696 2.403 1.00 1.39 H new ATOM 0 HD12 LEU A 50 -6.239 0.085 3.551 1.00 1.39 H new ATOM 0 HD13 LEU A 50 -6.488 1.837 3.368 1.00 1.39 H new ATOM 0 HD21 LEU A 50 -6.779 1.795 0.343 1.00 1.21 H new ATOM 0 HD22 LEU A 50 -5.758 2.964 1.214 1.00 1.21 H new ATOM 0 HD23 LEU A 50 -5.060 1.965 -0.083 1.00 1.21 H new ATOM 815 N VAL A 51 -1.227 -0.511 2.922 1.00 0.22 N ATOM 816 CA VAL A 51 0.218 -0.438 3.047 1.00 0.23 C ATOM 817 C VAL A 51 0.926 -0.455 1.694 1.00 0.27 C ATOM 818 O VAL A 51 0.965 -1.466 1.004 1.00 0.48 O ATOM 819 CB VAL A 51 0.757 -1.586 3.910 1.00 0.31 C ATOM 820 CG1 VAL A 51 2.279 -1.568 3.965 1.00 0.34 C ATOM 821 CG2 VAL A 51 0.175 -1.533 5.314 1.00 0.40 C ATOM 0 H VAL A 51 -1.570 -1.280 2.345 1.00 0.22 H new ATOM 0 HA VAL A 51 0.430 0.516 3.529 1.00 0.23 H new ATOM 0 HB VAL A 51 0.445 -2.521 3.444 1.00 0.31 H new ATOM 0 HG11 VAL A 51 2.631 -2.393 4.584 1.00 0.34 H new ATOM 0 HG12 VAL A 51 2.681 -1.673 2.957 1.00 0.34 H new ATOM 0 HG13 VAL A 51 2.616 -0.624 4.393 1.00 0.34 H new ATOM 0 HG21 VAL A 51 0.574 -2.358 5.905 1.00 0.40 H new ATOM 0 HG22 VAL A 51 0.444 -0.587 5.784 1.00 0.40 H new ATOM 0 HG23 VAL A 51 -0.911 -1.616 5.261 1.00 0.40 H new ATOM 831 N LEU A 52 1.474 0.685 1.343 1.00 0.23 N ATOM 832 CA LEU A 52 2.404 0.823 0.232 1.00 0.26 C ATOM 833 C LEU A 52 3.742 0.225 0.632 1.00 0.23 C ATOM 834 O LEU A 52 4.294 0.611 1.656 1.00 0.26 O ATOM 835 CB LEU A 52 2.600 2.310 -0.095 1.00 0.30 C ATOM 836 CG LEU A 52 1.630 2.907 -1.100 1.00 0.45 C ATOM 837 CD1 LEU A 52 0.253 3.090 -0.493 1.00 1.08 C ATOM 838 CD2 LEU A 52 2.155 4.223 -1.648 1.00 1.37 C ATOM 0 H LEU A 52 1.286 1.563 1.827 1.00 0.23 H new ATOM 0 HA LEU A 52 2.007 0.307 -0.642 1.00 0.26 H new ATOM 0 HB2 LEU A 52 2.526 2.878 0.832 1.00 0.30 H new ATOM 0 HB3 LEU A 52 3.613 2.448 -0.473 1.00 0.30 H new ATOM 0 HG LEU A 52 1.540 2.205 -1.929 1.00 0.45 H new ATOM 0 HD11 LEU A 52 -0.418 3.519 -1.237 1.00 1.08 H new ATOM 0 HD12 LEU A 52 -0.134 2.123 -0.170 1.00 1.08 H new ATOM 0 HD13 LEU A 52 0.319 3.759 0.365 1.00 1.08 H new ATOM 0 HD21 LEU A 52 1.442 4.629 -2.365 1.00 1.37 H new ATOM 0 HD22 LEU A 52 2.289 4.930 -0.830 1.00 1.37 H new ATOM 0 HD23 LEU A 52 3.111 4.055 -2.143 1.00 1.37 H new ATOM 850 N LEU A 53 4.272 -0.705 -0.147 1.00 0.22 N ATOM 851 CA LEU A 53 5.509 -1.361 0.257 1.00 0.22 C ATOM 852 C LEU A 53 6.471 -1.586 -0.915 1.00 0.19 C ATOM 853 O LEU A 53 6.079 -2.091 -1.975 1.00 0.20 O ATOM 854 CB LEU A 53 5.149 -2.679 0.954 1.00 0.31 C ATOM 855 CG LEU A 53 6.289 -3.439 1.640 1.00 0.49 C ATOM 856 CD1 LEU A 53 7.317 -2.492 2.229 1.00 1.20 C ATOM 857 CD2 LEU A 53 5.717 -4.303 2.747 1.00 0.96 C ATOM 0 H LEU A 53 3.881 -1.017 -1.036 1.00 0.22 H new ATOM 0 HA LEU A 53 6.044 -0.708 0.947 1.00 0.22 H new ATOM 0 HB2 LEU A 53 4.384 -2.469 1.702 1.00 0.31 H new ATOM 0 HB3 LEU A 53 4.698 -3.341 0.215 1.00 0.31 H new ATOM 0 HG LEU A 53 6.785 -4.055 0.890 1.00 0.49 H new ATOM 0 HD11 LEU A 53 8.110 -3.067 2.707 1.00 1.20 H new ATOM 0 HD12 LEU A 53 7.742 -1.877 1.436 1.00 1.20 H new ATOM 0 HD13 LEU A 53 6.839 -1.850 2.968 1.00 1.20 H new ATOM 0 HD21 LEU A 53 6.524 -4.846 3.239 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.208 -3.672 3.475 1.00 0.96 H new ATOM 0 HD23 LEU A 53 5.007 -5.013 2.324 1.00 0.96 H new ATOM 869 N ASP A 54 7.726 -1.156 -0.719 1.00 0.20 N ATOM 870 CA ASP A 54 8.818 -1.455 -1.644 1.00 0.19 C ATOM 871 C ASP A 54 9.808 -2.436 -1.011 1.00 0.18 C ATOM 872 O ASP A 54 10.075 -2.378 0.188 1.00 0.24 O ATOM 873 CB ASP A 54 9.543 -0.167 -2.053 1.00 0.23 C ATOM 874 CG ASP A 54 10.780 -0.419 -2.900 1.00 0.36 C ATOM 875 OD1 ASP A 54 10.703 -1.203 -3.871 1.00 0.27 O ATOM 876 OD2 ASP A 54 11.839 0.150 -2.591 1.00 0.83 O ATOM 0 H ASP A 54 8.007 -0.593 0.084 1.00 0.20 H new ATOM 0 HA ASP A 54 8.392 -1.916 -2.535 1.00 0.19 H new ATOM 0 HB2 ASP A 54 8.854 0.469 -2.608 1.00 0.23 H new ATOM 0 HB3 ASP A 54 9.830 0.381 -1.156 1.00 0.23 H new ATOM 881 N MET A 55 10.334 -3.344 -1.824 1.00 0.27 N ATOM 882 CA MET A 55 11.309 -4.333 -1.378 1.00 0.31 C ATOM 883 C MET A 55 12.728 -3.809 -1.586 1.00 0.32 C ATOM 884 O MET A 55 13.663 -4.237 -0.908 1.00 0.43 O ATOM 885 CB MET A 55 11.085 -5.657 -2.129 1.00 0.38 C ATOM 886 CG MET A 55 12.123 -6.739 -1.855 1.00 0.48 C ATOM 887 SD MET A 55 13.589 -6.603 -2.903 1.00 1.23 S ATOM 888 CE MET A 55 14.525 -8.033 -2.364 1.00 1.60 C ATOM 0 H MET A 55 10.096 -3.416 -2.813 1.00 0.27 H new ATOM 0 HA MET A 55 11.177 -4.517 -0.312 1.00 0.31 H new ATOM 0 HB2 MET A 55 10.101 -6.044 -1.865 1.00 0.38 H new ATOM 0 HB3 MET A 55 11.071 -5.452 -3.199 1.00 0.38 H new ATOM 0 HG2 MET A 55 12.426 -6.686 -0.809 1.00 0.48 H new ATOM 0 HG3 MET A 55 11.667 -7.717 -2.005 1.00 0.48 H new ATOM 0 HE1 MET A 55 15.460 -8.087 -2.921 1.00 1.60 H new ATOM 0 HE2 MET A 55 14.741 -7.946 -1.299 1.00 1.60 H new ATOM 0 HE3 MET A 55 13.944 -8.937 -2.544 1.00 1.60 H new ATOM 898 N LYS A 56 12.875 -2.849 -2.496 1.00 0.29 N ATOM 899 CA LYS A 56 14.174 -2.224 -2.760 1.00 0.35 C ATOM 900 C LYS A 56 14.443 -1.130 -1.742 1.00 0.30 C ATOM 901 O LYS A 56 15.314 -0.277 -1.926 1.00 0.37 O ATOM 902 CB LYS A 56 14.223 -1.633 -4.166 1.00 0.49 C ATOM 903 CG LYS A 56 14.127 -2.676 -5.261 1.00 0.76 C ATOM 904 CD LYS A 56 12.685 -2.990 -5.639 1.00 1.11 C ATOM 905 CE LYS A 56 12.046 -1.954 -6.574 1.00 1.26 C ATOM 906 NZ LYS A 56 12.266 -0.543 -6.137 1.00 2.37 N ATOM 0 H LYS A 56 12.111 -2.485 -3.065 1.00 0.29 H new ATOM 0 HA LYS A 56 14.940 -2.995 -2.680 1.00 0.35 H new ATOM 0 HB2 LYS A 56 13.407 -0.920 -4.281 1.00 0.49 H new ATOM 0 HB3 LYS A 56 15.152 -1.076 -4.286 1.00 0.49 H new ATOM 0 HG2 LYS A 56 14.662 -2.324 -6.143 1.00 0.76 H new ATOM 0 HG3 LYS A 56 14.621 -3.590 -4.932 1.00 0.76 H new ATOM 0 HD2 LYS A 56 12.651 -3.968 -6.119 1.00 1.11 H new ATOM 0 HD3 LYS A 56 12.089 -3.060 -4.729 1.00 1.11 H new ATOM 0 HE2 LYS A 56 12.451 -2.083 -7.578 1.00 1.26 H new ATOM 0 HE3 LYS A 56 10.975 -2.144 -6.636 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 11.795 0.104 -6.802 1.00 2.37 H new ATOM 0 HZ2 LYS A 56 11.871 -0.409 -5.185 1.00 2.37 H new ATOM 0 HZ3 LYS A 56 13.286 -0.340 -6.120 1.00 2.37 H new ATOM 920 N ILE A 57 13.685 -1.184 -0.669 1.00 0.24 N ATOM 921 CA ILE A 57 13.752 -0.200 0.384 1.00 0.24 C ATOM 922 C ILE A 57 14.967 -0.496 1.273 1.00 0.29 C ATOM 923 O ILE A 57 15.143 -1.617 1.759 1.00 0.32 O ATOM 924 CB ILE A 57 12.405 -0.185 1.178 1.00 0.22 C ATOM 925 CG1 ILE A 57 11.895 1.241 1.331 1.00 0.24 C ATOM 926 CG2 ILE A 57 12.509 -0.862 2.544 1.00 0.25 C ATOM 927 CD1 ILE A 57 12.738 2.107 2.223 1.00 0.29 C ATOM 0 H ILE A 57 12.999 -1.920 -0.503 1.00 0.24 H new ATOM 0 HA ILE A 57 13.886 0.800 -0.029 1.00 0.24 H new ATOM 0 HB ILE A 57 11.691 -0.766 0.594 1.00 0.22 H new ATOM 0 HG12 ILE A 57 11.839 1.702 0.345 1.00 0.24 H new ATOM 0 HG13 ILE A 57 10.880 1.211 1.727 1.00 0.24 H new ATOM 0 HG21 ILE A 57 11.542 -0.819 3.046 1.00 0.25 H new ATOM 0 HG22 ILE A 57 12.804 -1.903 2.413 1.00 0.25 H new ATOM 0 HG23 ILE A 57 13.255 -0.347 3.149 1.00 0.25 H new ATOM 0 HD11 ILE A 57 12.304 3.105 2.277 1.00 0.29 H new ATOM 0 HD12 ILE A 57 12.775 1.673 3.222 1.00 0.29 H new ATOM 0 HD13 ILE A 57 13.748 2.172 1.818 1.00 0.29 H new ATOM 939 N PRO A 58 15.873 0.483 1.416 1.00 0.33 N ATOM 940 CA PRO A 58 17.085 0.316 2.217 1.00 0.38 C ATOM 941 C PRO A 58 16.766 0.068 3.683 1.00 0.37 C ATOM 942 O PRO A 58 16.177 0.912 4.354 1.00 0.37 O ATOM 943 CB PRO A 58 17.830 1.637 2.041 1.00 0.43 C ATOM 944 CG PRO A 58 17.223 2.277 0.838 1.00 0.41 C ATOM 945 CD PRO A 58 15.799 1.813 0.801 1.00 0.36 C ATOM 0 HA PRO A 58 17.668 -0.548 1.898 1.00 0.38 H new ATOM 0 HB2 PRO A 58 17.719 2.271 2.921 1.00 0.43 H new ATOM 0 HB3 PRO A 58 18.898 1.470 1.901 1.00 0.43 H new ATOM 0 HG2 PRO A 58 17.278 3.364 0.904 1.00 0.41 H new ATOM 0 HG3 PRO A 58 17.753 1.985 -0.069 1.00 0.41 H new ATOM 0 HD2 PRO A 58 15.142 2.480 1.359 1.00 0.36 H new ATOM 0 HD3 PRO A 58 15.415 1.766 -0.218 1.00 0.36 H new ATOM 953 N GLY A 59 17.178 -1.090 4.177 1.00 0.41 N ATOM 954 CA GLY A 59 16.849 -1.479 5.528 1.00 0.44 C ATOM 955 C GLY A 59 16.516 -2.948 5.619 1.00 0.42 C ATOM 956 O GLY A 59 17.352 -3.765 6.011 1.00 0.55 O ATOM 0 H GLY A 59 17.737 -1.769 3.661 1.00 0.41 H new ATOM 0 HA2 GLY A 59 17.688 -1.254 6.186 1.00 0.44 H new ATOM 0 HA3 GLY A 59 16.001 -0.891 5.880 1.00 0.44 H new ATOM 960 N MET A 60 15.298 -3.275 5.228 1.00 0.38 N ATOM 961 CA MET A 60 14.799 -4.645 5.296 1.00 0.39 C ATOM 962 C MET A 60 14.182 -5.070 3.977 1.00 0.36 C ATOM 963 O MET A 60 13.885 -4.236 3.122 1.00 0.34 O ATOM 964 CB MET A 60 13.749 -4.795 6.395 1.00 0.40 C ATOM 965 CG MET A 60 14.325 -4.837 7.801 1.00 0.53 C ATOM 966 SD MET A 60 15.201 -6.378 8.153 1.00 0.78 S ATOM 967 CE MET A 60 13.874 -7.573 7.994 1.00 1.51 C ATOM 0 H MET A 60 14.626 -2.605 4.855 1.00 0.38 H new ATOM 0 HA MET A 60 15.655 -5.282 5.520 1.00 0.39 H new ATOM 0 HB2 MET A 60 13.046 -3.965 6.327 1.00 0.40 H new ATOM 0 HB3 MET A 60 13.182 -5.709 6.219 1.00 0.40 H new ATOM 0 HG2 MET A 60 15.008 -3.998 7.934 1.00 0.53 H new ATOM 0 HG3 MET A 60 13.518 -4.710 8.523 1.00 0.53 H new ATOM 0 HE1 MET A 60 14.117 -8.465 8.571 1.00 1.51 H new ATOM 0 HE2 MET A 60 12.947 -7.139 8.369 1.00 1.51 H new ATOM 0 HE3 MET A 60 13.750 -7.842 6.945 1.00 1.51 H new ATOM 977 N ASP A 61 13.963 -6.368 3.835 1.00 0.38 N ATOM 978 CA ASP A 61 13.331 -6.911 2.643 1.00 0.38 C ATOM 979 C ASP A 61 11.843 -6.653 2.700 1.00 0.32 C ATOM 980 O ASP A 61 11.101 -7.416 3.317 1.00 0.33 O ATOM 981 CB ASP A 61 13.581 -8.407 2.503 1.00 0.48 C ATOM 982 CG ASP A 61 15.044 -8.774 2.645 1.00 0.70 C ATOM 983 OD1 ASP A 61 15.501 -8.976 3.790 1.00 0.84 O ATOM 984 OD2 ASP A 61 15.738 -8.873 1.613 1.00 0.88 O ATOM 0 H ASP A 61 14.215 -7.067 4.534 1.00 0.38 H new ATOM 0 HA ASP A 61 13.768 -6.415 1.776 1.00 0.38 H new ATOM 0 HB2 ASP A 61 13.003 -8.940 3.258 1.00 0.48 H new ATOM 0 HB3 ASP A 61 13.220 -8.742 1.530 1.00 0.48 H new ATOM 989 N GLY A 62 11.416 -5.559 2.078 1.00 0.33 N ATOM 990 CA GLY A 62 10.014 -5.178 2.097 1.00 0.37 C ATOM 991 C GLY A 62 9.095 -6.306 1.676 1.00 0.36 C ATOM 992 O GLY A 62 7.956 -6.384 2.130 1.00 0.40 O ATOM 0 H GLY A 62 12.021 -4.924 1.557 1.00 0.33 H new ATOM 0 HA2 GLY A 62 9.744 -4.851 3.101 1.00 0.37 H new ATOM 0 HA3 GLY A 62 9.864 -4.326 1.433 1.00 0.37 H new ATOM 996 N ILE A 63 9.601 -7.182 0.814 1.00 0.35 N ATOM 997 CA ILE A 63 8.875 -8.377 0.410 1.00 0.36 C ATOM 998 C ILE A 63 8.366 -9.142 1.631 1.00 0.32 C ATOM 999 O ILE A 63 7.168 -9.356 1.787 1.00 0.33 O ATOM 1000 CB ILE A 63 9.765 -9.309 -0.461 1.00 0.42 C ATOM 1001 CG1 ILE A 63 9.133 -10.699 -0.589 1.00 0.64 C ATOM 1002 CG2 ILE A 63 11.177 -9.412 0.106 1.00 0.39 C ATOM 1003 CD1 ILE A 63 10.019 -11.713 -1.280 1.00 1.60 C ATOM 0 H ILE A 63 10.519 -7.084 0.380 1.00 0.35 H new ATOM 0 HA ILE A 63 8.022 -8.055 -0.187 1.00 0.36 H new ATOM 0 HB ILE A 63 9.834 -8.869 -1.456 1.00 0.42 H new ATOM 0 HG12 ILE A 63 8.883 -11.067 0.406 1.00 0.64 H new ATOM 0 HG13 ILE A 63 8.197 -10.613 -1.141 1.00 0.64 H new ATOM 0 HG21 ILE A 63 11.775 -10.070 -0.524 1.00 0.39 H new ATOM 0 HG22 ILE A 63 11.632 -8.422 0.131 1.00 0.39 H new ATOM 0 HG23 ILE A 63 11.135 -9.818 1.117 1.00 0.39 H new ATOM 0 HD11 ILE A 63 9.503 -12.671 -1.332 1.00 1.60 H new ATOM 0 HD12 ILE A 63 10.248 -11.369 -2.288 1.00 1.60 H new ATOM 0 HD13 ILE A 63 10.945 -11.830 -0.717 1.00 1.60 H new ATOM 1015 N GLU A 64 9.290 -9.500 2.504 1.00 0.31 N ATOM 1016 CA GLU A 64 9.005 -10.300 3.681 1.00 0.33 C ATOM 1017 C GLU A 64 7.966 -9.634 4.569 1.00 0.28 C ATOM 1018 O GLU A 64 7.037 -10.285 5.051 1.00 0.30 O ATOM 1019 CB GLU A 64 10.303 -10.486 4.445 1.00 0.40 C ATOM 1020 CG GLU A 64 11.437 -10.921 3.541 1.00 0.49 C ATOM 1021 CD GLU A 64 11.890 -12.328 3.841 1.00 0.69 C ATOM 1022 OE1 GLU A 64 11.219 -13.284 3.405 1.00 0.86 O ATOM 1023 OE2 GLU A 64 12.940 -12.483 4.500 1.00 0.97 O ATOM 0 H GLU A 64 10.272 -9.240 2.414 1.00 0.31 H new ATOM 0 HA GLU A 64 8.596 -11.263 3.374 1.00 0.33 H new ATOM 0 HB2 GLU A 64 10.571 -9.551 4.938 1.00 0.40 H new ATOM 0 HB3 GLU A 64 10.159 -11.230 5.229 1.00 0.40 H new ATOM 0 HG2 GLU A 64 11.117 -10.857 2.501 1.00 0.49 H new ATOM 0 HG3 GLU A 64 12.277 -10.237 3.658 1.00 0.49 H new ATOM 1030 N ILE A 65 8.124 -8.335 4.764 1.00 0.27 N ATOM 1031 CA ILE A 65 7.207 -7.574 5.593 1.00 0.27 C ATOM 1032 C ILE A 65 5.799 -7.612 5.002 1.00 0.27 C ATOM 1033 O ILE A 65 4.824 -7.774 5.725 1.00 0.29 O ATOM 1034 CB ILE A 65 7.671 -6.106 5.774 1.00 0.28 C ATOM 1035 CG1 ILE A 65 8.907 -6.023 6.685 1.00 0.30 C ATOM 1036 CG2 ILE A 65 6.550 -5.250 6.336 1.00 0.34 C ATOM 1037 CD1 ILE A 65 10.197 -6.441 6.018 1.00 0.32 C ATOM 0 H ILE A 65 8.881 -7.785 4.358 1.00 0.27 H new ATOM 0 HA ILE A 65 7.196 -8.040 6.578 1.00 0.27 H new ATOM 0 HB ILE A 65 7.943 -5.723 4.790 1.00 0.28 H new ATOM 0 HG12 ILE A 65 9.012 -4.999 7.044 1.00 0.30 H new ATOM 0 HG13 ILE A 65 8.743 -6.652 7.560 1.00 0.30 H new ATOM 0 HG21 ILE A 65 6.900 -4.224 6.454 1.00 0.34 H new ATOM 0 HG22 ILE A 65 5.701 -5.268 5.652 1.00 0.34 H new ATOM 0 HG23 ILE A 65 6.243 -5.643 7.305 1.00 0.34 H new ATOM 0 HD11 ILE A 65 11.019 -6.353 6.728 1.00 0.32 H new ATOM 0 HD12 ILE A 65 10.115 -7.475 5.684 1.00 0.32 H new ATOM 0 HD13 ILE A 65 10.388 -5.796 5.160 1.00 0.32 H new ATOM 1049 N LEU A 66 5.710 -7.496 3.682 1.00 0.29 N ATOM 1050 CA LEU A 66 4.429 -7.538 2.976 1.00 0.34 C ATOM 1051 C LEU A 66 3.720 -8.845 3.248 1.00 0.32 C ATOM 1052 O LEU A 66 2.524 -8.869 3.565 1.00 0.34 O ATOM 1053 CB LEU A 66 4.680 -7.359 1.467 1.00 0.52 C ATOM 1054 CG LEU A 66 3.447 -7.309 0.555 1.00 1.02 C ATOM 1055 CD1 LEU A 66 3.802 -6.630 -0.759 1.00 1.98 C ATOM 1056 CD2 LEU A 66 2.907 -8.706 0.278 1.00 1.67 C ATOM 0 H LEU A 66 6.517 -7.371 3.071 1.00 0.29 H new ATOM 0 HA LEU A 66 3.790 -6.730 3.332 1.00 0.34 H new ATOM 0 HB2 LEU A 66 5.244 -6.437 1.325 1.00 0.52 H new ATOM 0 HB3 LEU A 66 5.317 -8.177 1.130 1.00 0.52 H new ATOM 0 HG LEU A 66 2.673 -6.738 1.067 1.00 1.02 H new ATOM 0 HD11 LEU A 66 2.922 -6.598 -1.401 1.00 1.98 H new ATOM 0 HD12 LEU A 66 4.145 -5.614 -0.563 1.00 1.98 H new ATOM 0 HD13 LEU A 66 4.594 -7.191 -1.256 1.00 1.98 H new ATOM 0 HD21 LEU A 66 2.034 -8.637 -0.371 1.00 1.67 H new ATOM 0 HD22 LEU A 66 3.676 -9.303 -0.212 1.00 1.67 H new ATOM 0 HD23 LEU A 66 2.624 -9.180 1.218 1.00 1.67 H new ATOM 1068 N LYS A 67 4.457 -9.926 3.117 1.00 0.32 N ATOM 1069 CA LYS A 67 3.900 -11.235 3.355 1.00 0.37 C ATOM 1070 C LYS A 67 3.453 -11.330 4.810 1.00 0.38 C ATOM 1071 O LYS A 67 2.333 -11.753 5.101 1.00 0.44 O ATOM 1072 CB LYS A 67 4.929 -12.310 3.016 1.00 0.42 C ATOM 1073 CG LYS A 67 5.852 -11.877 1.891 1.00 0.40 C ATOM 1074 CD LYS A 67 7.002 -12.851 1.625 1.00 0.43 C ATOM 1075 CE LYS A 67 7.623 -13.401 2.903 1.00 1.34 C ATOM 1076 NZ LYS A 67 8.808 -14.262 2.616 1.00 1.27 N ATOM 0 H LYS A 67 5.441 -9.923 2.848 1.00 0.32 H new ATOM 0 HA LYS A 67 3.033 -11.394 2.714 1.00 0.37 H new ATOM 0 HB2 LYS A 67 5.520 -12.539 3.903 1.00 0.42 H new ATOM 0 HB3 LYS A 67 4.415 -13.228 2.730 1.00 0.42 H new ATOM 0 HG2 LYS A 67 5.267 -11.762 0.978 1.00 0.40 H new ATOM 0 HG3 LYS A 67 6.266 -10.897 2.130 1.00 0.40 H new ATOM 0 HD2 LYS A 67 6.636 -13.680 1.019 1.00 0.43 H new ATOM 0 HD3 LYS A 67 7.772 -12.345 1.042 1.00 0.43 H new ATOM 0 HE2 LYS A 67 7.922 -12.574 3.547 1.00 1.34 H new ATOM 0 HE3 LYS A 67 6.878 -13.978 3.450 1.00 1.34 H new ATOM 0 HZ1 LYS A 67 8.818 -15.068 3.273 1.00 1.27 H new ATOM 0 HZ2 LYS A 67 8.754 -14.612 1.638 1.00 1.27 H new ATOM 0 HZ3 LYS A 67 9.679 -13.706 2.737 1.00 1.27 H new ATOM 1090 N ARG A 68 4.324 -10.874 5.709 1.00 0.35 N ATOM 1091 CA ARG A 68 4.027 -10.811 7.132 1.00 0.41 C ATOM 1092 C ARG A 68 2.775 -9.988 7.400 1.00 0.39 C ATOM 1093 O ARG A 68 2.018 -10.307 8.292 1.00 0.46 O ATOM 1094 CB ARG A 68 5.203 -10.193 7.892 1.00 0.45 C ATOM 1095 CG ARG A 68 5.027 -10.260 9.396 1.00 0.49 C ATOM 1096 CD ARG A 68 4.866 -11.705 9.816 1.00 1.11 C ATOM 1097 NE ARG A 68 4.309 -11.852 11.157 1.00 1.70 N ATOM 1098 CZ ARG A 68 4.766 -12.723 12.056 1.00 2.45 C ATOM 1099 NH1 ARG A 68 5.846 -13.449 11.794 1.00 2.71 N ATOM 1100 NH2 ARG A 68 4.155 -12.845 13.224 1.00 3.22 N ATOM 0 H ARG A 68 5.256 -10.538 5.467 1.00 0.35 H new ATOM 0 HA ARG A 68 3.857 -11.831 7.478 1.00 0.41 H new ATOM 0 HB2 ARG A 68 6.122 -10.710 7.614 1.00 0.45 H new ATOM 0 HB3 ARG A 68 5.319 -9.152 7.590 1.00 0.45 H new ATOM 0 HG2 ARG A 68 5.890 -9.818 9.895 1.00 0.49 H new ATOM 0 HG3 ARG A 68 4.154 -9.682 9.698 1.00 0.49 H new ATOM 0 HD2 ARG A 68 4.219 -12.215 9.102 1.00 1.11 H new ATOM 0 HD3 ARG A 68 5.837 -12.199 9.776 1.00 1.11 H new ATOM 0 HE ARG A 68 3.526 -11.254 11.421 1.00 1.70 H new ATOM 0 HH11 ARG A 68 6.329 -13.341 10.902 1.00 2.71 H new ATOM 0 HH12 ARG A 68 6.193 -14.115 12.485 1.00 2.71 H new ATOM 0 HH21 ARG A 68 3.337 -12.273 13.434 1.00 3.22 H new ATOM 0 HH22 ARG A 68 4.502 -13.511 13.914 1.00 3.22 H new ATOM 1114 N MET A 69 2.564 -8.932 6.633 1.00 0.34 N ATOM 1115 CA MET A 69 1.389 -8.083 6.813 1.00 0.36 C ATOM 1116 C MET A 69 0.134 -8.873 6.522 1.00 0.41 C ATOM 1117 O MET A 69 -0.832 -8.862 7.298 1.00 0.45 O ATOM 1118 CB MET A 69 1.443 -6.880 5.881 1.00 0.38 C ATOM 1119 CG MET A 69 2.564 -5.915 6.198 1.00 0.42 C ATOM 1120 SD MET A 69 2.345 -5.098 7.789 1.00 1.16 S ATOM 1121 CE MET A 69 3.736 -3.974 7.785 1.00 1.18 C ATOM 0 H MET A 69 3.187 -8.639 5.880 1.00 0.34 H new ATOM 0 HA MET A 69 1.379 -7.734 7.845 1.00 0.36 H new ATOM 0 HB2 MET A 69 1.557 -7.231 4.855 1.00 0.38 H new ATOM 0 HB3 MET A 69 0.493 -6.349 5.932 1.00 0.38 H new ATOM 0 HG2 MET A 69 3.512 -6.452 6.197 1.00 0.42 H new ATOM 0 HG3 MET A 69 2.624 -5.162 5.412 1.00 0.42 H new ATOM 0 HE1 MET A 69 3.512 -3.115 8.418 1.00 1.18 H new ATOM 0 HE2 MET A 69 4.619 -4.486 8.167 1.00 1.18 H new ATOM 0 HE3 MET A 69 3.926 -3.634 6.767 1.00 1.18 H new ATOM 1131 N LYS A 70 0.157 -9.565 5.393 1.00 0.47 N ATOM 1132 CA LYS A 70 -0.926 -10.471 5.042 1.00 0.60 C ATOM 1133 C LYS A 70 -1.062 -11.535 6.114 1.00 0.66 C ATOM 1134 O LYS A 70 -2.117 -12.118 6.285 1.00 0.90 O ATOM 1135 CB LYS A 70 -0.681 -11.136 3.683 1.00 0.80 C ATOM 1136 CG LYS A 70 -0.476 -10.148 2.550 1.00 0.98 C ATOM 1137 CD LYS A 70 -1.579 -9.098 2.513 1.00 1.71 C ATOM 1138 CE LYS A 70 -2.856 -9.608 1.851 1.00 2.51 C ATOM 1139 NZ LYS A 70 -3.631 -10.548 2.709 1.00 3.32 N ATOM 0 H LYS A 70 0.910 -9.517 4.707 1.00 0.47 H new ATOM 0 HA LYS A 70 -1.847 -9.891 4.973 1.00 0.60 H new ATOM 0 HB2 LYS A 70 0.196 -11.779 3.756 1.00 0.80 H new ATOM 0 HB3 LYS A 70 -1.529 -11.778 3.444 1.00 0.80 H new ATOM 0 HG2 LYS A 70 0.490 -9.657 2.665 1.00 0.98 H new ATOM 0 HG3 LYS A 70 -0.450 -10.683 1.601 1.00 0.98 H new ATOM 0 HD2 LYS A 70 -1.805 -8.778 3.530 1.00 1.71 H new ATOM 0 HD3 LYS A 70 -1.221 -8.220 1.975 1.00 1.71 H new ATOM 0 HE2 LYS A 70 -3.488 -8.758 1.593 1.00 2.51 H new ATOM 0 HE3 LYS A 70 -2.598 -10.108 0.917 1.00 2.51 H new ATOM 0 HZ1 LYS A 70 -4.635 -10.276 2.703 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 -3.532 -11.516 2.341 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 -3.267 -10.509 3.683 1.00 3.32 H new ATOM 1153 N VAL A 71 0.019 -11.753 6.839 1.00 0.59 N ATOM 1154 CA VAL A 71 0.030 -12.694 7.956 1.00 0.66 C ATOM 1155 C VAL A 71 -0.597 -12.057 9.197 1.00 0.67 C ATOM 1156 O VAL A 71 -1.313 -12.708 9.959 1.00 0.79 O ATOM 1157 CB VAL A 71 1.469 -13.121 8.263 1.00 0.65 C ATOM 1158 CG1 VAL A 71 1.539 -13.926 9.538 1.00 0.76 C ATOM 1159 CG2 VAL A 71 2.047 -13.919 7.114 1.00 0.75 C ATOM 0 H VAL A 71 0.912 -11.288 6.676 1.00 0.59 H new ATOM 0 HA VAL A 71 -0.555 -13.571 7.679 1.00 0.66 H new ATOM 0 HB VAL A 71 2.061 -12.215 8.396 1.00 0.65 H new ATOM 0 HG11 VAL A 71 2.572 -14.215 9.730 1.00 0.76 H new ATOM 0 HG12 VAL A 71 1.170 -13.324 10.369 1.00 0.76 H new ATOM 0 HG13 VAL A 71 0.925 -14.821 9.437 1.00 0.76 H new ATOM 0 HG21 VAL A 71 3.069 -14.212 7.353 1.00 0.75 H new ATOM 0 HG22 VAL A 71 1.442 -14.811 6.950 1.00 0.75 H new ATOM 0 HG23 VAL A 71 2.046 -13.309 6.211 1.00 0.75 H new ATOM 1169 N ILE A 72 -0.330 -10.772 9.365 1.00 0.59 N ATOM 1170 CA ILE A 72 -0.785 -10.008 10.516 1.00 0.64 C ATOM 1171 C ILE A 72 -2.307 -9.902 10.557 1.00 0.66 C ATOM 1172 O ILE A 72 -2.917 -10.010 11.624 1.00 0.77 O ATOM 1173 CB ILE A 72 -0.156 -8.592 10.506 1.00 0.62 C ATOM 1174 CG1 ILE A 72 1.369 -8.713 10.559 1.00 0.57 C ATOM 1175 CG2 ILE A 72 -0.680 -7.734 11.660 1.00 0.79 C ATOM 1176 CD1 ILE A 72 2.117 -7.402 10.658 1.00 1.48 C ATOM 0 H ILE A 72 0.215 -10.224 8.699 1.00 0.59 H new ATOM 0 HA ILE A 72 -0.462 -10.540 11.411 1.00 0.64 H new ATOM 0 HB ILE A 72 -0.444 -8.090 9.582 1.00 0.62 H new ATOM 0 HG12 ILE A 72 1.639 -9.332 11.415 1.00 0.57 H new ATOM 0 HG13 ILE A 72 1.707 -9.239 9.666 1.00 0.57 H new ATOM 0 HG21 ILE A 72 -0.216 -6.748 11.620 1.00 0.79 H new ATOM 0 HG22 ILE A 72 -1.762 -7.630 11.574 1.00 0.79 H new ATOM 0 HG23 ILE A 72 -0.436 -8.212 12.609 1.00 0.79 H new ATOM 0 HD11 ILE A 72 3.189 -7.596 10.689 1.00 1.48 H new ATOM 0 HD12 ILE A 72 1.885 -6.785 9.790 1.00 1.48 H new ATOM 0 HD13 ILE A 72 1.816 -6.879 11.566 1.00 1.48 H new ATOM 1188 N ASP A 73 -2.929 -9.706 9.401 1.00 0.61 N ATOM 1189 CA ASP A 73 -4.378 -9.508 9.371 1.00 0.67 C ATOM 1190 C ASP A 73 -5.062 -10.406 8.339 1.00 0.72 C ATOM 1191 O ASP A 73 -6.017 -11.119 8.660 1.00 0.85 O ATOM 1192 CB ASP A 73 -4.691 -8.044 9.069 1.00 0.64 C ATOM 1193 CG ASP A 73 -6.114 -7.677 9.425 1.00 0.97 C ATOM 1194 OD1 ASP A 73 -7.047 -8.300 8.881 1.00 1.88 O ATOM 1195 OD2 ASP A 73 -6.303 -6.754 10.233 1.00 0.91 O ATOM 0 H ASP A 73 -2.469 -9.680 8.491 1.00 0.61 H new ATOM 0 HA ASP A 73 -4.768 -9.780 10.352 1.00 0.67 H new ATOM 0 HB2 ASP A 73 -4.004 -7.406 9.624 1.00 0.64 H new ATOM 0 HB3 ASP A 73 -4.522 -7.849 8.010 1.00 0.64 H new ATOM 1200 N GLU A 74 -4.565 -10.316 7.103 1.00 0.67 N ATOM 1201 CA GLU A 74 -5.069 -11.035 5.915 1.00 0.75 C ATOM 1202 C GLU A 74 -6.102 -10.192 5.217 1.00 0.74 C ATOM 1203 O GLU A 74 -6.556 -10.505 4.117 1.00 0.86 O ATOM 1204 CB GLU A 74 -5.646 -12.412 6.229 1.00 0.88 C ATOM 1205 CG GLU A 74 -4.629 -13.353 6.812 1.00 0.99 C ATOM 1206 CD GLU A 74 -5.188 -14.732 7.039 1.00 1.19 C ATOM 1207 OE1 GLU A 74 -5.719 -14.984 8.147 1.00 1.31 O ATOM 1208 OE2 GLU A 74 -5.080 -15.578 6.128 1.00 1.31 O ATOM 0 H GLU A 74 -3.768 -9.718 6.887 1.00 0.67 H new ATOM 0 HA GLU A 74 -4.210 -11.206 5.266 1.00 0.75 H new ATOM 0 HB2 GLU A 74 -6.475 -12.302 6.928 1.00 0.88 H new ATOM 0 HB3 GLU A 74 -6.054 -12.846 5.316 1.00 0.88 H new ATOM 0 HG2 GLU A 74 -3.771 -13.417 6.142 1.00 0.99 H new ATOM 0 HG3 GLU A 74 -4.266 -12.951 7.758 1.00 0.99 H new ATOM 1215 N ASN A 75 -6.418 -9.092 5.854 1.00 0.68 N ATOM 1216 CA ASN A 75 -7.404 -8.167 5.354 1.00 0.74 C ATOM 1217 C ASN A 75 -6.706 -6.881 4.995 1.00 0.67 C ATOM 1218 O ASN A 75 -7.174 -6.109 4.164 1.00 0.76 O ATOM 1219 CB ASN A 75 -8.442 -7.917 6.425 1.00 0.85 C ATOM 1220 CG ASN A 75 -9.297 -9.137 6.673 1.00 0.95 C ATOM 1221 OD1 ASN A 75 -10.361 -9.302 6.078 1.00 1.14 O ATOM 1222 ND2 ASN A 75 -8.822 -10.011 7.536 1.00 1.00 N ATOM 0 H ASN A 75 -5.996 -8.812 6.739 1.00 0.68 H new ATOM 0 HA ASN A 75 -7.901 -8.574 4.473 1.00 0.74 H new ATOM 0 HB2 ASN A 75 -7.946 -7.626 7.351 1.00 0.85 H new ATOM 0 HB3 ASN A 75 -9.077 -7.082 6.128 1.00 0.85 H new ATOM 0 HD21 ASN A 75 -9.341 -10.866 7.734 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -7.935 -9.833 8.006 1.00 1.00 H new ATOM 1229 N ILE A 76 -5.567 -6.686 5.650 1.00 0.57 N ATOM 1230 CA ILE A 76 -4.707 -5.544 5.428 1.00 0.51 C ATOM 1231 C ILE A 76 -4.510 -5.290 3.933 1.00 0.40 C ATOM 1232 O ILE A 76 -4.096 -6.177 3.175 1.00 0.36 O ATOM 1233 CB ILE A 76 -3.347 -5.743 6.133 1.00 0.51 C ATOM 1234 CG1 ILE A 76 -2.506 -4.474 6.008 1.00 0.52 C ATOM 1235 CG2 ILE A 76 -2.609 -6.958 5.574 1.00 0.48 C ATOM 1236 CD1 ILE A 76 -1.246 -4.494 6.844 1.00 0.59 C ATOM 0 H ILE A 76 -5.216 -7.330 6.359 1.00 0.57 H new ATOM 0 HA ILE A 76 -5.191 -4.667 5.857 1.00 0.51 H new ATOM 0 HB ILE A 76 -3.526 -5.935 7.191 1.00 0.51 H new ATOM 0 HG12 ILE A 76 -2.235 -4.330 4.962 1.00 0.52 H new ATOM 0 HG13 ILE A 76 -3.112 -3.617 6.301 1.00 0.52 H new ATOM 0 HG21 ILE A 76 -1.655 -7.073 6.089 1.00 0.48 H new ATOM 0 HG22 ILE A 76 -3.214 -7.852 5.725 1.00 0.48 H new ATOM 0 HG23 ILE A 76 -2.431 -6.817 4.508 1.00 0.48 H new ATOM 0 HD11 ILE A 76 -0.701 -3.560 6.704 1.00 0.59 H new ATOM 0 HD12 ILE A 76 -1.509 -4.606 7.896 1.00 0.59 H new ATOM 0 HD13 ILE A 76 -0.618 -5.330 6.536 1.00 0.59 H new ATOM 1248 N ARG A 77 -4.845 -4.088 3.514 1.00 0.42 N ATOM 1249 CA ARG A 77 -4.801 -3.735 2.108 1.00 0.39 C ATOM 1250 C ARG A 77 -3.384 -3.345 1.715 1.00 0.37 C ATOM 1251 O ARG A 77 -3.010 -2.179 1.761 1.00 0.53 O ATOM 1252 CB ARG A 77 -5.755 -2.576 1.816 1.00 0.55 C ATOM 1253 CG ARG A 77 -7.130 -2.704 2.459 1.00 0.74 C ATOM 1254 CD ARG A 77 -7.878 -3.948 2.005 1.00 0.79 C ATOM 1255 NE ARG A 77 -9.328 -3.768 2.113 1.00 1.24 N ATOM 1256 CZ ARG A 77 -10.157 -4.617 2.723 1.00 1.51 C ATOM 1257 NH1 ARG A 77 -9.688 -5.688 3.346 1.00 1.94 N ATOM 1258 NH2 ARG A 77 -11.458 -4.379 2.724 1.00 1.93 N ATOM 0 H ARG A 77 -5.152 -3.335 4.129 1.00 0.42 H new ATOM 0 HA ARG A 77 -5.112 -4.601 1.524 1.00 0.39 H new ATOM 0 HB2 ARG A 77 -5.294 -1.649 2.158 1.00 0.55 H new ATOM 0 HB3 ARG A 77 -5.881 -2.490 0.737 1.00 0.55 H new ATOM 0 HG2 ARG A 77 -7.019 -2.728 3.543 1.00 0.74 H new ATOM 0 HG3 ARG A 77 -7.722 -1.821 2.219 1.00 0.74 H new ATOM 0 HD2 ARG A 77 -7.614 -4.177 0.973 1.00 0.79 H new ATOM 0 HD3 ARG A 77 -7.570 -4.801 2.609 1.00 0.79 H new ATOM 0 HE ARG A 77 -9.733 -2.933 1.691 1.00 1.24 H new ATOM 0 HH11 ARG A 77 -8.684 -5.870 3.362 1.00 1.94 H new ATOM 0 HH12 ARG A 77 -10.330 -6.331 3.809 1.00 1.94 H new ATOM 0 HH21 ARG A 77 -11.825 -3.548 2.259 1.00 1.93 H new ATOM 0 HH22 ARG A 77 -12.094 -5.026 3.189 1.00 1.93 H new ATOM 1272 N VAL A 78 -2.599 -4.326 1.328 1.00 0.33 N ATOM 1273 CA VAL A 78 -1.209 -4.084 0.971 1.00 0.38 C ATOM 1274 C VAL A 78 -1.095 -3.848 -0.522 1.00 0.38 C ATOM 1275 O VAL A 78 -1.801 -4.468 -1.311 1.00 0.53 O ATOM 1276 CB VAL A 78 -0.286 -5.262 1.355 1.00 0.43 C ATOM 1277 CG1 VAL A 78 1.164 -4.814 1.419 1.00 0.95 C ATOM 1278 CG2 VAL A 78 -0.714 -5.883 2.667 1.00 0.88 C ATOM 0 H VAL A 78 -2.894 -5.299 1.251 1.00 0.33 H new ATOM 0 HA VAL A 78 -0.888 -3.205 1.530 1.00 0.38 H new ATOM 0 HB VAL A 78 -0.373 -6.022 0.579 1.00 0.43 H new ATOM 0 HG11 VAL A 78 1.795 -5.660 1.691 1.00 0.95 H new ATOM 0 HG12 VAL A 78 1.470 -4.432 0.445 1.00 0.95 H new ATOM 0 HG13 VAL A 78 1.269 -4.028 2.167 1.00 0.95 H new ATOM 0 HG21 VAL A 78 -0.047 -6.709 2.913 1.00 0.88 H new ATOM 0 HG22 VAL A 78 -0.669 -5.133 3.457 1.00 0.88 H new ATOM 0 HG23 VAL A 78 -1.735 -6.255 2.578 1.00 0.88 H new ATOM 1288 N ILE A 79 -0.220 -2.946 -0.900 1.00 0.28 N ATOM 1289 CA ILE A 79 0.055 -2.681 -2.292 1.00 0.29 C ATOM 1290 C ILE A 79 1.557 -2.712 -2.532 1.00 0.28 C ATOM 1291 O ILE A 79 2.340 -2.164 -1.750 1.00 0.27 O ATOM 1292 CB ILE A 79 -0.522 -1.320 -2.740 1.00 0.35 C ATOM 1293 CG1 ILE A 79 -2.052 -1.318 -2.613 1.00 0.55 C ATOM 1294 CG2 ILE A 79 -0.092 -1.005 -4.168 1.00 0.45 C ATOM 1295 CD1 ILE A 79 -2.752 -2.243 -3.583 1.00 0.59 C ATOM 0 H ILE A 79 0.321 -2.375 -0.251 1.00 0.28 H new ATOM 0 HA ILE A 79 -0.430 -3.457 -2.884 1.00 0.29 H new ATOM 0 HB ILE A 79 -0.128 -0.541 -2.087 1.00 0.35 H new ATOM 0 HG12 ILE A 79 -2.322 -1.603 -1.596 1.00 0.55 H new ATOM 0 HG13 ILE A 79 -2.418 -0.303 -2.767 1.00 0.55 H new ATOM 0 HG21 ILE A 79 -0.507 -0.043 -4.469 1.00 0.45 H new ATOM 0 HG22 ILE A 79 0.996 -0.963 -4.220 1.00 0.45 H new ATOM 0 HG23 ILE A 79 -0.457 -1.783 -4.838 1.00 0.45 H new ATOM 0 HD11 ILE A 79 -3.829 -2.184 -3.429 1.00 0.59 H new ATOM 0 HD12 ILE A 79 -2.514 -1.946 -4.605 1.00 0.59 H new ATOM 0 HD13 ILE A 79 -2.417 -3.267 -3.415 1.00 0.59 H new ATOM 1307 N ILE A 80 1.952 -3.349 -3.619 1.00 0.31 N ATOM 1308 CA ILE A 80 3.357 -3.475 -3.940 1.00 0.32 C ATOM 1309 C ILE A 80 3.738 -2.412 -4.945 1.00 0.37 C ATOM 1310 O ILE A 80 3.250 -2.397 -6.074 1.00 0.46 O ATOM 1311 CB ILE A 80 3.727 -4.898 -4.470 1.00 0.37 C ATOM 1312 CG1 ILE A 80 4.802 -4.836 -5.570 1.00 0.40 C ATOM 1313 CG2 ILE A 80 2.498 -5.641 -4.971 1.00 0.47 C ATOM 1314 CD1 ILE A 80 5.210 -6.195 -6.106 1.00 0.45 C ATOM 0 H ILE A 80 1.320 -3.785 -4.291 1.00 0.31 H new ATOM 0 HA ILE A 80 3.924 -3.334 -3.020 1.00 0.32 H new ATOM 0 HB ILE A 80 4.141 -5.451 -3.627 1.00 0.37 H new ATOM 0 HG12 ILE A 80 4.430 -4.228 -6.394 1.00 0.40 H new ATOM 0 HG13 ILE A 80 5.684 -4.332 -5.175 1.00 0.40 H new ATOM 0 HG21 ILE A 80 2.791 -6.627 -5.332 1.00 0.47 H new ATOM 0 HG22 ILE A 80 1.782 -5.751 -4.156 1.00 0.47 H new ATOM 0 HG23 ILE A 80 2.039 -5.078 -5.784 1.00 0.47 H new ATOM 0 HD11 ILE A 80 5.970 -6.069 -6.877 1.00 0.45 H new ATOM 0 HD12 ILE A 80 5.613 -6.800 -5.294 1.00 0.45 H new ATOM 0 HD13 ILE A 80 4.340 -6.694 -6.533 1.00 0.45 H new ATOM 1326 N MET A 81 4.589 -1.499 -4.514 1.00 0.35 N ATOM 1327 CA MET A 81 5.079 -0.459 -5.398 1.00 0.43 C ATOM 1328 C MET A 81 6.520 -0.760 -5.734 1.00 0.45 C ATOM 1329 O MET A 81 7.236 0.043 -6.329 1.00 0.57 O ATOM 1330 CB MET A 81 4.914 0.933 -4.763 1.00 0.48 C ATOM 1331 CG MET A 81 5.722 1.161 -3.489 1.00 0.47 C ATOM 1332 SD MET A 81 7.405 1.719 -3.811 1.00 0.99 S ATOM 1333 CE MET A 81 7.099 3.205 -4.765 1.00 1.36 C ATOM 0 H MET A 81 4.953 -1.457 -3.562 1.00 0.35 H new ATOM 0 HA MET A 81 4.494 -0.445 -6.317 1.00 0.43 H new ATOM 0 HB2 MET A 81 5.200 1.687 -5.497 1.00 0.48 H new ATOM 0 HB3 MET A 81 3.859 1.091 -4.539 1.00 0.48 H new ATOM 0 HG2 MET A 81 5.213 1.900 -2.870 1.00 0.47 H new ATOM 0 HG3 MET A 81 5.756 0.234 -2.916 1.00 0.47 H new ATOM 0 HE1 MET A 81 7.976 3.851 -4.723 1.00 1.36 H new ATOM 0 HE2 MET A 81 6.896 2.936 -5.802 1.00 1.36 H new ATOM 0 HE3 MET A 81 6.239 3.732 -4.352 1.00 1.36 H new ATOM 1343 N THR A 82 6.912 -1.966 -5.372 1.00 0.39 N ATOM 1344 CA THR A 82 8.261 -2.417 -5.558 1.00 0.42 C ATOM 1345 C THR A 82 8.418 -3.036 -6.941 1.00 0.48 C ATOM 1346 O THR A 82 7.519 -2.945 -7.783 1.00 0.52 O ATOM 1347 CB THR A 82 8.662 -3.428 -4.460 1.00 0.40 C ATOM 1348 OG1 THR A 82 10.074 -3.602 -4.465 1.00 0.43 O ATOM 1349 CG2 THR A 82 7.990 -4.779 -4.641 1.00 0.44 C ATOM 0 H THR A 82 6.297 -2.656 -4.941 1.00 0.39 H new ATOM 0 HA THR A 82 8.927 -1.557 -5.480 1.00 0.42 H new ATOM 0 HB THR A 82 8.329 -3.019 -3.506 1.00 0.40 H new ATOM 0 HG1 THR A 82 10.512 -2.725 -4.474 1.00 0.43 H new ATOM 0 HG21 THR A 82 8.306 -5.452 -3.844 1.00 0.44 H new ATOM 0 HG22 THR A 82 6.908 -4.655 -4.604 1.00 0.44 H new ATOM 0 HG23 THR A 82 8.274 -5.200 -5.605 1.00 0.44 H new ATOM 1357 N ALA A 83 9.546 -3.673 -7.171 1.00 0.54 N ATOM 1358 CA ALA A 83 9.855 -4.184 -8.476 1.00 0.64 C ATOM 1359 C ALA A 83 8.870 -5.257 -8.872 1.00 0.69 C ATOM 1360 O ALA A 83 8.771 -6.296 -8.233 1.00 0.74 O ATOM 1361 CB ALA A 83 11.276 -4.706 -8.532 1.00 0.77 C ATOM 0 H ALA A 83 10.262 -3.846 -6.465 1.00 0.54 H new ATOM 0 HA ALA A 83 9.773 -3.365 -9.190 1.00 0.64 H new ATOM 0 HB1 ALA A 83 11.484 -5.087 -9.532 1.00 0.77 H new ATOM 0 HB2 ALA A 83 11.970 -3.898 -8.300 1.00 0.77 H new ATOM 0 HB3 ALA A 83 11.398 -5.509 -7.805 1.00 0.77 H new ATOM 1367 N TYR A 84 8.086 -4.927 -9.876 1.00 0.75 N ATOM 1368 CA TYR A 84 7.230 -5.872 -10.583 1.00 0.93 C ATOM 1369 C TYR A 84 7.769 -7.301 -10.634 1.00 1.04 C ATOM 1370 O TYR A 84 6.994 -8.241 -10.514 1.00 1.38 O ATOM 1371 CB TYR A 84 7.044 -5.345 -11.994 1.00 1.14 C ATOM 1372 CG TYR A 84 5.701 -4.711 -12.230 1.00 1.02 C ATOM 1373 CD1 TYR A 84 5.356 -3.518 -11.612 1.00 1.17 C ATOM 1374 CD2 TYR A 84 4.783 -5.303 -13.080 1.00 1.23 C ATOM 1375 CE1 TYR A 84 4.128 -2.932 -11.837 1.00 1.68 C ATOM 1376 CE2 TYR A 84 3.550 -4.725 -13.310 1.00 1.55 C ATOM 1377 CZ TYR A 84 3.216 -3.547 -12.644 1.00 1.84 C ATOM 1378 OH TYR A 84 2.004 -2.955 -12.917 1.00 2.42 O ATOM 0 H TYR A 84 8.020 -3.975 -10.236 1.00 0.75 H new ATOM 0 HA TYR A 84 6.291 -5.941 -10.034 1.00 0.93 H new ATOM 0 HB2 TYR A 84 7.824 -4.613 -12.205 1.00 1.14 H new ATOM 0 HB3 TYR A 84 7.178 -6.165 -12.699 1.00 1.14 H new ATOM 0 HD1 TYR A 84 6.059 -3.041 -10.945 1.00 1.17 H new ATOM 0 HD2 TYR A 84 5.035 -6.231 -13.571 1.00 1.23 H new ATOM 0 HE1 TYR A 84 3.888 -1.986 -11.374 1.00 1.68 H new ATOM 0 HE2 TYR A 84 2.853 -5.180 -13.998 1.00 1.55 H new ATOM 0 HH TYR A 84 1.300 -3.395 -12.396 1.00 2.42 H new ATOM 1388 N GLY A 85 9.080 -7.470 -10.788 1.00 1.18 N ATOM 1389 CA GLY A 85 9.662 -8.807 -10.835 1.00 1.31 C ATOM 1390 C GLY A 85 9.416 -9.605 -9.561 1.00 1.26 C ATOM 1391 O GLY A 85 9.723 -10.794 -9.488 1.00 1.37 O ATOM 0 H GLY A 85 9.751 -6.708 -10.881 1.00 1.18 H new ATOM 0 HA2 GLY A 85 9.246 -9.350 -11.684 1.00 1.31 H new ATOM 0 HA3 GLY A 85 10.736 -8.725 -11.005 1.00 1.31 H new ATOM 1395 N GLU A 86 8.826 -8.955 -8.570 1.00 1.14 N ATOM 1396 CA GLU A 86 8.533 -9.571 -7.299 1.00 1.12 C ATOM 1397 C GLU A 86 7.189 -10.278 -7.346 1.00 1.14 C ATOM 1398 O GLU A 86 6.777 -10.909 -6.384 1.00 1.13 O ATOM 1399 CB GLU A 86 8.546 -8.529 -6.188 1.00 1.04 C ATOM 1400 CG GLU A 86 9.847 -8.498 -5.399 1.00 1.04 C ATOM 1401 CD GLU A 86 11.047 -8.078 -6.228 1.00 1.60 C ATOM 1402 OE1 GLU A 86 11.681 -8.955 -6.846 1.00 2.16 O ATOM 1403 OE2 GLU A 86 11.349 -6.865 -6.279 1.00 1.64 O ATOM 0 H GLU A 86 8.538 -7.979 -8.632 1.00 1.14 H new ATOM 0 HA GLU A 86 9.305 -10.312 -7.089 1.00 1.12 H new ATOM 0 HB2 GLU A 86 8.370 -7.545 -6.622 1.00 1.04 H new ATOM 0 HB3 GLU A 86 7.721 -8.728 -5.504 1.00 1.04 H new ATOM 0 HG2 GLU A 86 9.737 -7.812 -4.559 1.00 1.04 H new ATOM 0 HG3 GLU A 86 10.033 -9.487 -4.980 1.00 1.04 H new ATOM 1410 N LEU A 87 6.501 -10.182 -8.470 1.00 1.19 N ATOM 1411 CA LEU A 87 5.338 -11.039 -8.687 1.00 1.27 C ATOM 1412 C LEU A 87 5.818 -12.484 -8.729 1.00 1.27 C ATOM 1413 O LEU A 87 5.063 -13.429 -8.510 1.00 1.30 O ATOM 1414 CB LEU A 87 4.581 -10.653 -9.974 1.00 1.38 C ATOM 1415 CG LEU A 87 5.427 -10.488 -11.244 1.00 1.41 C ATOM 1416 CD1 LEU A 87 5.912 -11.824 -11.778 1.00 1.84 C ATOM 1417 CD2 LEU A 87 4.643 -9.745 -12.311 1.00 1.96 C ATOM 0 H LEU A 87 6.715 -9.538 -9.232 1.00 1.19 H new ATOM 0 HA LEU A 87 4.628 -10.911 -7.870 1.00 1.27 H new ATOM 0 HB2 LEU A 87 3.824 -11.413 -10.165 1.00 1.38 H new ATOM 0 HB3 LEU A 87 4.054 -9.717 -9.792 1.00 1.38 H new ATOM 0 HG LEU A 87 6.307 -9.902 -10.977 1.00 1.41 H new ATOM 0 HD11 LEU A 87 6.507 -11.662 -12.677 1.00 1.84 H new ATOM 0 HD12 LEU A 87 6.523 -12.318 -11.022 1.00 1.84 H new ATOM 0 HD13 LEU A 87 5.055 -12.453 -12.018 1.00 1.84 H new ATOM 0 HD21 LEU A 87 5.257 -9.637 -13.205 1.00 1.96 H new ATOM 0 HD22 LEU A 87 3.741 -10.306 -12.557 1.00 1.96 H new ATOM 0 HD23 LEU A 87 4.367 -8.758 -11.939 1.00 1.96 H new ATOM 1429 N ASP A 88 7.108 -12.617 -8.996 1.00 1.29 N ATOM 1430 CA ASP A 88 7.784 -13.902 -8.992 1.00 1.35 C ATOM 1431 C ASP A 88 8.181 -14.300 -7.573 1.00 1.29 C ATOM 1432 O ASP A 88 7.878 -15.400 -7.114 1.00 1.39 O ATOM 1433 CB ASP A 88 9.027 -13.818 -9.875 1.00 1.38 C ATOM 1434 CG ASP A 88 9.892 -15.060 -9.800 1.00 1.49 C ATOM 1435 OD1 ASP A 88 9.606 -16.032 -10.534 1.00 1.59 O ATOM 1436 OD2 ASP A 88 10.844 -15.082 -8.995 1.00 1.54 O ATOM 0 H ASP A 88 7.717 -11.831 -9.223 1.00 1.29 H new ATOM 0 HA ASP A 88 7.105 -14.660 -9.381 1.00 1.35 H new ATOM 0 HB2 ASP A 88 8.721 -13.657 -10.909 1.00 1.38 H new ATOM 0 HB3 ASP A 88 9.618 -12.952 -9.579 1.00 1.38 H new ATOM 1441 N MET A 89 8.847 -13.392 -6.870 1.00 1.17 N ATOM 1442 CA MET A 89 9.381 -13.717 -5.554 1.00 1.16 C ATOM 1443 C MET A 89 8.448 -13.275 -4.428 1.00 1.14 C ATOM 1444 O MET A 89 8.024 -14.095 -3.631 1.00 1.25 O ATOM 1445 CB MET A 89 10.756 -13.075 -5.373 1.00 1.11 C ATOM 1446 CG MET A 89 11.447 -13.474 -4.078 1.00 1.13 C ATOM 1447 SD MET A 89 13.056 -12.683 -3.870 1.00 1.46 S ATOM 1448 CE MET A 89 13.597 -13.416 -2.326 1.00 2.17 C ATOM 0 H MET A 89 9.028 -12.438 -7.183 1.00 1.17 H new ATOM 0 HA MET A 89 9.471 -14.802 -5.498 1.00 1.16 H new ATOM 0 HB2 MET A 89 11.391 -13.352 -6.214 1.00 1.11 H new ATOM 0 HB3 MET A 89 10.648 -11.991 -5.399 1.00 1.11 H new ATOM 0 HG2 MET A 89 10.807 -13.213 -3.235 1.00 1.13 H new ATOM 0 HG3 MET A 89 11.574 -14.556 -4.058 1.00 1.13 H new ATOM 0 HE1 MET A 89 14.580 -13.025 -2.062 1.00 2.17 H new ATOM 0 HE2 MET A 89 12.886 -13.170 -1.538 1.00 2.17 H new ATOM 0 HE3 MET A 89 13.655 -14.499 -2.438 1.00 2.17 H new ATOM 1458 N ALA A 90 8.096 -11.994 -4.396 1.00 1.06 N ATOM 1459 CA ALA A 90 7.295 -11.433 -3.304 1.00 1.05 C ATOM 1460 C ALA A 90 5.956 -12.143 -3.156 1.00 1.12 C ATOM 1461 O ALA A 90 5.544 -12.492 -2.050 1.00 1.17 O ATOM 1462 CB ALA A 90 7.071 -9.943 -3.523 1.00 0.99 C ATOM 0 H ALA A 90 8.352 -11.318 -5.116 1.00 1.06 H new ATOM 0 HA ALA A 90 7.855 -11.584 -2.381 1.00 1.05 H new ATOM 0 HB1 ALA A 90 6.475 -9.540 -2.704 1.00 0.99 H new ATOM 0 HB2 ALA A 90 8.033 -9.432 -3.557 1.00 0.99 H new ATOM 0 HB3 ALA A 90 6.545 -9.789 -4.465 1.00 0.99 H new ATOM 1468 N GLN A 91 5.291 -12.354 -4.278 1.00 1.19 N ATOM 1469 CA GLN A 91 3.974 -12.970 -4.289 1.00 1.31 C ATOM 1470 C GLN A 91 4.035 -14.460 -3.916 1.00 1.46 C ATOM 1471 O GLN A 91 3.410 -14.891 -2.944 1.00 1.51 O ATOM 1472 CB GLN A 91 3.344 -12.764 -5.676 1.00 1.40 C ATOM 1473 CG GLN A 91 2.480 -13.921 -6.149 1.00 1.68 C ATOM 1474 CD GLN A 91 1.957 -13.718 -7.556 1.00 1.84 C ATOM 1475 OE1 GLN A 91 1.728 -12.590 -7.996 1.00 2.24 O ATOM 1476 NE2 GLN A 91 1.771 -14.811 -8.277 1.00 2.42 N ATOM 0 H GLN A 91 5.645 -12.105 -5.202 1.00 1.19 H new ATOM 0 HA GLN A 91 3.352 -12.492 -3.532 1.00 1.31 H new ATOM 0 HB2 GLN A 91 2.738 -11.858 -5.656 1.00 1.40 H new ATOM 0 HB3 GLN A 91 4.140 -12.599 -6.403 1.00 1.40 H new ATOM 0 HG2 GLN A 91 3.060 -14.843 -6.110 1.00 1.68 H new ATOM 0 HG3 GLN A 91 1.639 -14.045 -5.467 1.00 1.68 H new ATOM 0 HE21 GLN A 91 1.973 -15.727 -7.876 1.00 2.42 H new ATOM 0 HE22 GLN A 91 1.426 -14.738 -9.234 1.00 2.42 H new ATOM 1485 N GLU A 92 4.814 -15.227 -4.671 1.00 1.57 N ATOM 1486 CA GLU A 92 4.872 -16.679 -4.505 1.00 1.80 C ATOM 1487 C GLU A 92 5.622 -17.111 -3.239 1.00 1.83 C ATOM 1488 O GLU A 92 5.478 -18.250 -2.797 1.00 2.04 O ATOM 1489 CB GLU A 92 5.505 -17.324 -5.739 1.00 1.91 C ATOM 1490 CG GLU A 92 4.797 -16.961 -7.034 1.00 1.96 C ATOM 1491 CD GLU A 92 5.178 -17.863 -8.190 1.00 2.13 C ATOM 1492 OE1 GLU A 92 4.923 -19.081 -8.111 1.00 2.44 O ATOM 1493 OE2 GLU A 92 5.766 -17.363 -9.174 1.00 2.12 O ATOM 0 H GLU A 92 5.419 -14.866 -5.409 1.00 1.57 H new ATOM 0 HA GLU A 92 3.844 -17.024 -4.392 1.00 1.80 H new ATOM 0 HB2 GLU A 92 6.549 -17.019 -5.805 1.00 1.91 H new ATOM 0 HB3 GLU A 92 5.497 -18.407 -5.619 1.00 1.91 H new ATOM 0 HG2 GLU A 92 3.719 -17.013 -6.879 1.00 1.96 H new ATOM 0 HG3 GLU A 92 5.032 -15.929 -7.293 1.00 1.96 H new ATOM 1500 N SER A 93 6.431 -16.220 -2.670 1.00 1.66 N ATOM 1501 CA SER A 93 7.225 -16.541 -1.478 1.00 1.77 C ATOM 1502 C SER A 93 6.343 -16.916 -0.286 1.00 1.87 C ATOM 1503 O SER A 93 6.782 -17.622 0.620 1.00 2.13 O ATOM 1504 CB SER A 93 8.113 -15.346 -1.097 1.00 1.65 C ATOM 1505 OG SER A 93 8.905 -15.610 0.054 1.00 1.98 O ATOM 0 H SER A 93 6.557 -15.268 -3.013 1.00 1.66 H new ATOM 0 HA SER A 93 7.845 -17.403 -1.725 1.00 1.77 H new ATOM 0 HB2 SER A 93 8.764 -15.098 -1.935 1.00 1.65 H new ATOM 0 HB3 SER A 93 7.486 -14.474 -0.912 1.00 1.65 H new ATOM 0 HG SER A 93 8.519 -16.361 0.551 1.00 1.98 H new ATOM 1511 N LYS A 94 5.100 -16.457 -0.286 1.00 1.73 N ATOM 1512 CA LYS A 94 4.262 -16.600 0.891 1.00 1.84 C ATOM 1513 C LYS A 94 2.821 -16.945 0.542 1.00 1.75 C ATOM 1514 O LYS A 94 2.446 -18.114 0.464 1.00 2.05 O ATOM 1515 CB LYS A 94 4.300 -15.310 1.699 1.00 1.74 C ATOM 1516 CG LYS A 94 3.568 -15.380 3.026 1.00 2.03 C ATOM 1517 CD LYS A 94 4.204 -16.373 3.970 1.00 2.19 C ATOM 1518 CE LYS A 94 3.596 -16.256 5.354 1.00 2.42 C ATOM 1519 NZ LYS A 94 4.148 -17.266 6.295 1.00 2.66 N ATOM 0 H LYS A 94 4.656 -15.989 -1.076 1.00 1.73 H new ATOM 0 HA LYS A 94 4.659 -17.428 1.478 1.00 1.84 H new ATOM 0 HB2 LYS A 94 5.340 -15.043 1.885 1.00 1.74 H new ATOM 0 HB3 LYS A 94 3.867 -14.508 1.101 1.00 1.74 H new ATOM 0 HG2 LYS A 94 3.561 -14.393 3.489 1.00 2.03 H new ATOM 0 HG3 LYS A 94 2.529 -15.659 2.853 1.00 2.03 H new ATOM 0 HD2 LYS A 94 4.065 -17.385 3.590 1.00 2.19 H new ATOM 0 HD3 LYS A 94 5.278 -16.197 4.022 1.00 2.19 H new ATOM 0 HE2 LYS A 94 3.780 -15.256 5.747 1.00 2.42 H new ATOM 0 HE3 LYS A 94 2.515 -16.377 5.286 1.00 2.42 H new ATOM 0 HZ1 LYS A 94 3.705 -17.150 7.229 1.00 2.66 H new ATOM 0 HZ2 LYS A 94 3.950 -18.221 5.934 1.00 2.66 H new ATOM 0 HZ3 LYS A 94 5.176 -17.135 6.381 1.00 2.66 H new ATOM 1533 N GLU A 95 2.028 -15.916 0.323 1.00 1.51 N ATOM 1534 CA GLU A 95 0.592 -16.076 0.192 1.00 1.57 C ATOM 1535 C GLU A 95 0.063 -15.382 -1.055 1.00 1.40 C ATOM 1536 O GLU A 95 -0.107 -16.001 -2.104 1.00 1.80 O ATOM 1537 CB GLU A 95 -0.098 -15.492 1.431 1.00 1.57 C ATOM 1538 CG GLU A 95 -1.601 -15.707 1.475 1.00 1.70 C ATOM 1539 CD GLU A 95 -1.984 -17.052 2.060 1.00 2.39 C ATOM 1540 OE1 GLU A 95 -2.065 -17.168 3.298 1.00 3.16 O ATOM 1541 OE2 GLU A 95 -2.200 -18.005 1.276 1.00 2.68 O ATOM 0 H GLU A 95 2.355 -14.954 0.231 1.00 1.51 H new ATOM 0 HA GLU A 95 0.376 -17.141 0.103 1.00 1.57 H new ATOM 0 HB2 GLU A 95 0.346 -15.936 2.322 1.00 1.57 H new ATOM 0 HB3 GLU A 95 0.105 -14.422 1.474 1.00 1.57 H new ATOM 0 HG2 GLU A 95 -2.060 -14.915 2.066 1.00 1.70 H new ATOM 0 HG3 GLU A 95 -2.005 -15.626 0.466 1.00 1.70 H new ATOM 1548 N LEU A 96 -0.170 -14.082 -0.933 1.00 1.13 N ATOM 1549 CA LEU A 96 -0.901 -13.344 -1.937 1.00 1.44 C ATOM 1550 C LEU A 96 0.000 -12.413 -2.750 1.00 1.40 C ATOM 1551 O LEU A 96 -0.145 -12.300 -3.964 1.00 1.87 O ATOM 1552 CB LEU A 96 -1.965 -12.531 -1.215 1.00 1.74 C ATOM 1553 CG LEU A 96 -2.877 -11.684 -2.106 1.00 2.31 C ATOM 1554 CD1 LEU A 96 -3.604 -12.558 -3.116 1.00 2.48 C ATOM 1555 CD2 LEU A 96 -3.877 -10.912 -1.260 1.00 3.10 C ATOM 0 H LEU A 96 0.142 -13.520 -0.141 1.00 1.13 H new ATOM 0 HA LEU A 96 -1.340 -14.046 -2.646 1.00 1.44 H new ATOM 0 HB2 LEU A 96 -2.587 -13.214 -0.637 1.00 1.74 H new ATOM 0 HB3 LEU A 96 -1.470 -11.871 -0.503 1.00 1.74 H new ATOM 0 HG LEU A 96 -2.257 -10.972 -2.651 1.00 2.31 H new ATOM 0 HD11 LEU A 96 -4.247 -11.936 -3.739 1.00 2.48 H new ATOM 0 HD12 LEU A 96 -2.876 -13.071 -3.744 1.00 2.48 H new ATOM 0 HD13 LEU A 96 -4.211 -13.294 -2.590 1.00 2.48 H new ATOM 0 HD21 LEU A 96 -4.518 -10.315 -1.909 1.00 3.10 H new ATOM 0 HD22 LEU A 96 -4.488 -11.612 -0.690 1.00 3.10 H new ATOM 0 HD23 LEU A 96 -3.343 -10.255 -0.574 1.00 3.10 H new ATOM 1567 N GLY A 97 0.940 -11.765 -2.075 1.00 1.08 N ATOM 1568 CA GLY A 97 1.745 -10.744 -2.724 1.00 1.10 C ATOM 1569 C GLY A 97 1.003 -9.421 -2.837 1.00 1.06 C ATOM 1570 O GLY A 97 1.112 -8.732 -3.851 1.00 1.72 O ATOM 0 H GLY A 97 1.161 -11.926 -1.092 1.00 1.08 H new ATOM 0 HA2 GLY A 97 2.666 -10.596 -2.161 1.00 1.10 H new ATOM 0 HA3 GLY A 97 2.031 -11.086 -3.719 1.00 1.10 H new ATOM 1574 N ALA A 98 0.238 -9.089 -1.781 1.00 0.73 N ATOM 1575 CA ALA A 98 -0.495 -7.820 -1.681 1.00 0.65 C ATOM 1576 C ALA A 98 -1.739 -7.818 -2.571 1.00 0.67 C ATOM 1577 O ALA A 98 -2.079 -8.836 -3.168 1.00 0.82 O ATOM 1578 CB ALA A 98 0.412 -6.640 -2.007 1.00 0.85 C ATOM 0 H ALA A 98 0.112 -9.697 -0.972 1.00 0.73 H new ATOM 0 HA ALA A 98 -0.831 -7.715 -0.649 1.00 0.65 H new ATOM 0 HB1 ALA A 98 -0.155 -5.712 -1.926 1.00 0.85 H new ATOM 0 HB2 ALA A 98 1.247 -6.618 -1.306 1.00 0.85 H new ATOM 0 HB3 ALA A 98 0.794 -6.744 -3.023 1.00 0.85 H new ATOM 1584 N LEU A 99 -2.430 -6.680 -2.630 1.00 0.60 N ATOM 1585 CA LEU A 99 -3.645 -6.560 -3.430 1.00 0.66 C ATOM 1586 C LEU A 99 -3.313 -6.397 -4.910 1.00 0.69 C ATOM 1587 O LEU A 99 -3.968 -6.982 -5.775 1.00 1.35 O ATOM 1588 CB LEU A 99 -4.499 -5.371 -2.967 1.00 0.68 C ATOM 1589 CG LEU A 99 -5.123 -5.493 -1.574 1.00 0.86 C ATOM 1590 CD1 LEU A 99 -6.025 -4.297 -1.292 1.00 1.34 C ATOM 1591 CD2 LEU A 99 -5.907 -6.791 -1.448 1.00 1.05 C ATOM 0 H LEU A 99 -2.168 -5.829 -2.133 1.00 0.60 H new ATOM 0 HA LEU A 99 -4.213 -7.480 -3.291 1.00 0.66 H new ATOM 0 HB2 LEU A 99 -3.879 -4.474 -2.988 1.00 0.68 H new ATOM 0 HB3 LEU A 99 -5.301 -5.222 -3.690 1.00 0.68 H new ATOM 0 HG LEU A 99 -4.320 -5.506 -0.837 1.00 0.86 H new ATOM 0 HD11 LEU A 99 -6.462 -4.397 -0.298 1.00 1.34 H new ATOM 0 HD12 LEU A 99 -5.438 -3.380 -1.340 1.00 1.34 H new ATOM 0 HD13 LEU A 99 -6.821 -4.258 -2.036 1.00 1.34 H new ATOM 0 HD21 LEU A 99 -6.342 -6.858 -0.451 1.00 1.05 H new ATOM 0 HD22 LEU A 99 -6.702 -6.809 -2.193 1.00 1.05 H new ATOM 0 HD23 LEU A 99 -5.239 -7.637 -1.610 1.00 1.05 H new ATOM 1603 N THR A 100 -2.301 -5.588 -5.196 1.00 0.95 N ATOM 1604 CA THR A 100 -1.882 -5.352 -6.564 1.00 1.06 C ATOM 1605 C THR A 100 -0.547 -4.615 -6.588 1.00 0.67 C ATOM 1606 O THR A 100 -0.069 -4.152 -5.551 1.00 0.60 O ATOM 1607 CB THR A 100 -2.946 -4.556 -7.355 1.00 1.56 C ATOM 1608 OG1 THR A 100 -2.726 -4.709 -8.762 1.00 2.07 O ATOM 1609 CG2 THR A 100 -2.921 -3.078 -6.993 1.00 2.16 C ATOM 0 H THR A 100 -1.757 -5.085 -4.495 1.00 0.95 H new ATOM 0 HA THR A 100 -1.764 -6.322 -7.047 1.00 1.06 H new ATOM 0 HB THR A 100 -3.925 -4.955 -7.089 1.00 1.56 H new ATOM 0 HG1 THR A 100 -3.405 -4.203 -9.256 1.00 2.07 H new ATOM 0 HG21 THR A 100 -3.682 -2.550 -7.568 1.00 2.16 H new ATOM 0 HG22 THR A 100 -3.124 -2.961 -5.929 1.00 2.16 H new ATOM 0 HG23 THR A 100 -1.939 -2.664 -7.223 1.00 2.16 H new ATOM 1617 N HIS A 101 0.039 -4.499 -7.774 1.00 0.68 N ATOM 1618 CA HIS A 101 1.367 -3.916 -7.924 1.00 0.87 C ATOM 1619 C HIS A 101 1.345 -2.653 -8.768 1.00 0.71 C ATOM 1620 O HIS A 101 0.422 -2.429 -9.550 1.00 1.08 O ATOM 1621 CB HIS A 101 2.348 -4.917 -8.543 1.00 1.65 C ATOM 1622 CG HIS A 101 1.797 -5.702 -9.702 1.00 2.50 C ATOM 1623 ND1 HIS A 101 1.172 -5.130 -10.794 1.00 3.21 N ATOM 1624 CD2 HIS A 101 1.773 -7.038 -9.920 1.00 3.16 C ATOM 1625 CE1 HIS A 101 0.791 -6.082 -11.627 1.00 3.89 C ATOM 1626 NE2 HIS A 101 1.144 -7.245 -11.121 1.00 3.83 N ATOM 0 H HIS A 101 -0.387 -4.803 -8.650 1.00 0.68 H new ATOM 0 HA HIS A 101 1.701 -3.656 -6.920 1.00 0.87 H new ATOM 0 HB2 HIS A 101 3.235 -4.378 -8.876 1.00 1.65 H new ATOM 0 HB3 HIS A 101 2.671 -5.614 -7.770 1.00 1.65 H new ATOM 0 HD2 HIS A 101 2.175 -7.800 -9.269 1.00 3.16 H new ATOM 0 HE1 HIS A 101 0.277 -5.932 -12.565 1.00 3.89 H new ATOM 0 HE2 HIS A 101 0.977 -8.154 -11.553 1.00 3.83 H new ATOM 1635 N PHE A 102 2.399 -1.860 -8.617 1.00 0.78 N ATOM 1636 CA PHE A 102 2.542 -0.584 -9.313 1.00 0.90 C ATOM 1637 C PHE A 102 3.946 -0.022 -9.062 1.00 0.85 C ATOM 1638 O PHE A 102 4.200 0.586 -8.028 1.00 0.97 O ATOM 1639 CB PHE A 102 1.466 0.397 -8.813 1.00 1.33 C ATOM 1640 CG PHE A 102 1.430 1.723 -9.526 1.00 1.91 C ATOM 1641 CD1 PHE A 102 0.833 1.837 -10.773 1.00 2.47 C ATOM 1642 CD2 PHE A 102 2.007 2.846 -8.959 1.00 2.71 C ATOM 1643 CE1 PHE A 102 0.813 3.049 -11.438 1.00 3.31 C ATOM 1644 CE2 PHE A 102 1.988 4.060 -9.619 1.00 3.59 C ATOM 1645 CZ PHE A 102 1.337 4.178 -10.826 1.00 3.75 C ATOM 0 H PHE A 102 3.184 -2.084 -8.005 1.00 0.78 H new ATOM 0 HA PHE A 102 2.410 -0.729 -10.385 1.00 0.90 H new ATOM 0 HB2 PHE A 102 0.490 -0.078 -8.912 1.00 1.33 H new ATOM 0 HB3 PHE A 102 1.627 0.578 -7.750 1.00 1.33 H new ATOM 0 HD1 PHE A 102 0.379 0.970 -11.229 1.00 2.47 H new ATOM 0 HD2 PHE A 102 2.477 2.773 -7.990 1.00 2.71 H new ATOM 0 HE1 PHE A 102 0.391 3.116 -12.430 1.00 3.31 H new ATOM 0 HE2 PHE A 102 2.484 4.917 -9.187 1.00 3.59 H new ATOM 0 HZ PHE A 102 1.235 5.146 -11.295 1.00 3.75 H new ATOM 1655 N ALA A 103 4.855 -0.246 -10.006 1.00 0.85 N ATOM 1656 CA ALA A 103 6.239 0.182 -9.861 1.00 0.92 C ATOM 1657 C ALA A 103 6.582 1.317 -10.821 1.00 1.01 C ATOM 1658 O ALA A 103 7.636 1.942 -10.712 1.00 1.27 O ATOM 1659 CB ALA A 103 7.157 -0.996 -10.111 1.00 1.00 C ATOM 0 H ALA A 103 4.654 -0.725 -10.884 1.00 0.85 H new ATOM 0 HA ALA A 103 6.375 0.554 -8.846 1.00 0.92 H new ATOM 0 HB1 ALA A 103 8.194 -0.678 -10.003 1.00 1.00 H new ATOM 0 HB2 ALA A 103 6.942 -1.784 -9.390 1.00 1.00 H new ATOM 0 HB3 ALA A 103 6.997 -1.374 -11.121 1.00 1.00 H new ATOM 1733 N ILE A 108 0.375 10.726 -8.490 1.00 1.00 N ATOM 1734 CA ILE A 108 -0.424 10.476 -7.282 1.00 0.93 C ATOM 1735 C ILE A 108 -1.936 10.495 -7.556 1.00 0.89 C ATOM 1736 O ILE A 108 -2.710 9.950 -6.772 1.00 0.79 O ATOM 1737 CB ILE A 108 -0.101 11.462 -6.127 1.00 1.00 C ATOM 1738 CG1 ILE A 108 -0.582 12.895 -6.428 1.00 0.97 C ATOM 1739 CG2 ILE A 108 1.392 11.452 -5.829 1.00 1.25 C ATOM 1740 CD1 ILE A 108 0.159 13.582 -7.552 1.00 1.29 C ATOM 0 HA ILE A 108 -0.139 9.472 -6.967 1.00 0.93 H new ATOM 0 HB ILE A 108 -0.646 11.121 -5.247 1.00 1.00 H new ATOM 0 HG12 ILE A 108 -1.643 12.864 -6.675 1.00 0.97 H new ATOM 0 HG13 ILE A 108 -0.483 13.496 -5.524 1.00 0.97 H new ATOM 0 HG21 ILE A 108 1.606 12.147 -5.017 1.00 1.25 H new ATOM 0 HG22 ILE A 108 1.698 10.448 -5.536 1.00 1.25 H new ATOM 0 HG23 ILE A 108 1.943 11.754 -6.720 1.00 1.25 H new ATOM 0 HD11 ILE A 108 -0.245 14.584 -7.695 1.00 1.29 H new ATOM 0 HD12 ILE A 108 1.218 13.649 -7.302 1.00 1.29 H new ATOM 0 HD13 ILE A 108 0.039 13.008 -8.471 1.00 1.29 H new ATOM 1752 N ASP A 109 -2.354 11.103 -8.667 1.00 1.01 N ATOM 1753 CA ASP A 109 -3.755 11.067 -9.088 1.00 1.07 C ATOM 1754 C ASP A 109 -4.247 9.631 -9.185 1.00 1.02 C ATOM 1755 O ASP A 109 -5.322 9.297 -8.691 1.00 1.00 O ATOM 1756 CB ASP A 109 -3.895 11.736 -10.445 1.00 1.27 C ATOM 1757 CG ASP A 109 -5.341 11.903 -10.874 1.00 1.57 C ATOM 1758 OD1 ASP A 109 -6.022 12.799 -10.339 1.00 1.84 O ATOM 1759 OD2 ASP A 109 -5.802 11.144 -11.750 1.00 1.92 O ATOM 0 H ASP A 109 -1.741 11.627 -9.292 1.00 1.01 H new ATOM 0 HA ASP A 109 -4.354 11.597 -8.348 1.00 1.07 H new ATOM 0 HB2 ASP A 109 -3.415 12.714 -10.414 1.00 1.27 H new ATOM 0 HB3 ASP A 109 -3.365 11.145 -11.192 1.00 1.27 H new ATOM 1764 N GLU A 110 -3.438 8.789 -9.814 1.00 1.04 N ATOM 1765 CA GLU A 110 -3.723 7.361 -9.907 1.00 1.04 C ATOM 1766 C GLU A 110 -3.813 6.757 -8.510 1.00 0.93 C ATOM 1767 O GLU A 110 -4.613 5.859 -8.252 1.00 0.95 O ATOM 1768 CB GLU A 110 -2.614 6.655 -10.690 1.00 1.14 C ATOM 1769 CG GLU A 110 -2.896 5.191 -10.990 1.00 1.12 C ATOM 1770 CD GLU A 110 -3.735 5.002 -12.237 1.00 1.57 C ATOM 1771 OE1 GLU A 110 -4.886 5.494 -12.257 1.00 2.06 O ATOM 1772 OE2 GLU A 110 -3.267 4.349 -13.191 1.00 2.07 O ATOM 0 H GLU A 110 -2.572 9.072 -10.271 1.00 1.04 H new ATOM 0 HA GLU A 110 -4.673 7.227 -10.424 1.00 1.04 H new ATOM 0 HB2 GLU A 110 -2.456 7.183 -11.631 1.00 1.14 H new ATOM 0 HB3 GLU A 110 -1.685 6.726 -10.125 1.00 1.14 H new ATOM 0 HG2 GLU A 110 -1.952 4.660 -11.108 1.00 1.12 H new ATOM 0 HG3 GLU A 110 -3.410 4.742 -10.140 1.00 1.12 H new ATOM 1779 N ILE A 111 -2.996 7.286 -7.604 1.00 0.83 N ATOM 1780 CA ILE A 111 -2.905 6.764 -6.250 1.00 0.75 C ATOM 1781 C ILE A 111 -4.187 7.064 -5.484 1.00 0.70 C ATOM 1782 O ILE A 111 -4.812 6.160 -4.934 1.00 0.71 O ATOM 1783 CB ILE A 111 -1.661 7.344 -5.513 1.00 0.76 C ATOM 1784 CG1 ILE A 111 -0.421 6.489 -5.805 1.00 1.24 C ATOM 1785 CG2 ILE A 111 -1.885 7.440 -4.006 1.00 0.75 C ATOM 1786 CD1 ILE A 111 -0.097 6.355 -7.276 1.00 1.61 C ATOM 0 H ILE A 111 -2.385 8.081 -7.788 1.00 0.83 H new ATOM 0 HA ILE A 111 -2.782 5.682 -6.302 1.00 0.75 H new ATOM 0 HB ILE A 111 -1.501 8.354 -5.890 1.00 0.76 H new ATOM 0 HG12 ILE A 111 0.437 6.925 -5.293 1.00 1.24 H new ATOM 0 HG13 ILE A 111 -0.571 5.495 -5.385 1.00 1.24 H new ATOM 0 HG21 ILE A 111 -0.993 7.849 -3.531 1.00 0.75 H new ATOM 0 HG22 ILE A 111 -2.735 8.092 -3.805 1.00 0.75 H new ATOM 0 HG23 ILE A 111 -2.087 6.447 -3.604 1.00 0.75 H new ATOM 0 HD11 ILE A 111 0.792 5.736 -7.398 1.00 1.61 H new ATOM 0 HD12 ILE A 111 -0.936 5.890 -7.793 1.00 1.61 H new ATOM 0 HD13 ILE A 111 0.087 7.342 -7.699 1.00 1.61 H new ATOM 1798 N ARG A 112 -4.609 8.325 -5.498 1.00 0.72 N ATOM 1799 CA ARG A 112 -5.816 8.724 -4.787 1.00 0.75 C ATOM 1800 C ARG A 112 -7.046 8.073 -5.412 1.00 0.81 C ATOM 1801 O ARG A 112 -7.983 7.686 -4.708 1.00 0.85 O ATOM 1802 CB ARG A 112 -5.951 10.259 -4.732 1.00 0.85 C ATOM 1803 CG ARG A 112 -5.987 10.969 -6.078 1.00 1.09 C ATOM 1804 CD ARG A 112 -7.412 11.140 -6.580 1.00 1.50 C ATOM 1805 NE ARG A 112 -7.460 11.903 -7.824 1.00 1.51 N ATOM 1806 CZ ARG A 112 -8.451 12.722 -8.168 1.00 1.75 C ATOM 1807 NH1 ARG A 112 -9.492 12.904 -7.368 1.00 2.13 N ATOM 1808 NH2 ARG A 112 -8.383 13.374 -9.315 1.00 2.25 N ATOM 0 H ARG A 112 -4.136 9.082 -5.991 1.00 0.72 H new ATOM 0 HA ARG A 112 -5.738 8.372 -3.758 1.00 0.75 H new ATOM 0 HB2 ARG A 112 -6.863 10.505 -4.188 1.00 0.85 H new ATOM 0 HB3 ARG A 112 -5.117 10.658 -4.154 1.00 0.85 H new ATOM 0 HG2 ARG A 112 -5.512 11.946 -5.988 1.00 1.09 H new ATOM 0 HG3 ARG A 112 -5.409 10.400 -6.806 1.00 1.09 H new ATOM 0 HD2 ARG A 112 -7.862 10.160 -6.737 1.00 1.50 H new ATOM 0 HD3 ARG A 112 -8.007 11.646 -5.820 1.00 1.50 H new ATOM 0 HE ARG A 112 -6.681 11.801 -8.474 1.00 1.51 H new ATOM 0 HH11 ARG A 112 -9.541 12.413 -6.475 1.00 2.13 H new ATOM 0 HH12 ARG A 112 -10.244 13.535 -7.645 1.00 2.13 H new ATOM 0 HH21 ARG A 112 -7.577 13.247 -9.927 1.00 2.25 H new ATOM 0 HH22 ARG A 112 -9.137 14.004 -9.589 1.00 2.25 H new ATOM 1822 N ASP A 113 -7.021 7.916 -6.727 1.00 0.86 N ATOM 1823 CA ASP A 113 -8.129 7.294 -7.430 1.00 0.94 C ATOM 1824 C ASP A 113 -8.245 5.825 -7.057 1.00 0.93 C ATOM 1825 O ASP A 113 -9.294 5.375 -6.617 1.00 0.98 O ATOM 1826 CB ASP A 113 -7.955 7.430 -8.938 1.00 1.05 C ATOM 1827 CG ASP A 113 -9.043 6.706 -9.707 1.00 1.17 C ATOM 1828 OD1 ASP A 113 -10.181 7.216 -9.763 1.00 1.32 O ATOM 1829 OD2 ASP A 113 -8.764 5.618 -10.253 1.00 1.23 O ATOM 0 H ASP A 113 -6.249 8.210 -7.325 1.00 0.86 H new ATOM 0 HA ASP A 113 -9.044 7.807 -7.133 1.00 0.94 H new ATOM 0 HB2 ASP A 113 -7.962 8.486 -9.209 1.00 1.05 H new ATOM 0 HB3 ASP A 113 -6.982 7.033 -9.227 1.00 1.05 H new ATOM 1834 N ALA A 114 -7.154 5.090 -7.200 1.00 0.92 N ATOM 1835 CA ALA A 114 -7.178 3.655 -6.989 1.00 0.95 C ATOM 1836 C ALA A 114 -7.304 3.280 -5.512 1.00 0.91 C ATOM 1837 O ALA A 114 -7.669 2.151 -5.200 1.00 0.95 O ATOM 1838 CB ALA A 114 -5.944 3.011 -7.601 1.00 1.03 C ATOM 0 H ALA A 114 -6.242 5.465 -7.461 1.00 0.92 H new ATOM 0 HA ALA A 114 -8.068 3.272 -7.488 1.00 0.95 H new ATOM 0 HB1 ALA A 114 -5.975 1.934 -7.435 1.00 1.03 H new ATOM 0 HB2 ALA A 114 -5.922 3.213 -8.672 1.00 1.03 H new ATOM 0 HB3 ALA A 114 -5.049 3.424 -7.135 1.00 1.03 H new ATOM 1844 N VAL A 115 -6.986 4.197 -4.597 1.00 0.89 N ATOM 1845 CA VAL A 115 -7.223 3.922 -3.181 1.00 1.01 C ATOM 1846 C VAL A 115 -8.688 4.159 -2.826 1.00 1.06 C ATOM 1847 O VAL A 115 -9.261 3.431 -2.018 1.00 1.17 O ATOM 1848 CB VAL A 115 -6.314 4.733 -2.220 1.00 1.14 C ATOM 1849 CG1 VAL A 115 -4.855 4.374 -2.434 1.00 1.83 C ATOM 1850 CG2 VAL A 115 -6.532 6.231 -2.366 1.00 1.13 C ATOM 0 H VAL A 115 -6.577 5.109 -4.802 1.00 0.89 H new ATOM 0 HA VAL A 115 -6.966 2.872 -3.040 1.00 1.01 H new ATOM 0 HB VAL A 115 -6.590 4.464 -1.200 1.00 1.14 H new ATOM 0 HG11 VAL A 115 -4.234 4.953 -1.751 1.00 1.83 H new ATOM 0 HG12 VAL A 115 -4.710 3.311 -2.243 1.00 1.83 H new ATOM 0 HG13 VAL A 115 -4.572 4.600 -3.462 1.00 1.83 H new ATOM 0 HG21 VAL A 115 -5.877 6.763 -1.676 1.00 1.13 H new ATOM 0 HG22 VAL A 115 -6.305 6.534 -3.388 1.00 1.13 H new ATOM 0 HG23 VAL A 115 -7.571 6.471 -2.139 1.00 1.13 H new ATOM 1860 N LYS A 116 -9.298 5.168 -3.446 1.00 1.06 N ATOM 1861 CA LYS A 116 -10.714 5.451 -3.222 1.00 1.22 C ATOM 1862 C LYS A 116 -11.603 4.511 -4.035 1.00 1.24 C ATOM 1863 O LYS A 116 -12.748 4.248 -3.667 1.00 1.48 O ATOM 1864 CB LYS A 116 -11.028 6.906 -3.580 1.00 1.30 C ATOM 1865 CG LYS A 116 -10.472 7.922 -2.593 1.00 2.03 C ATOM 1866 CD LYS A 116 -11.167 7.823 -1.242 1.00 2.39 C ATOM 1867 CE LYS A 116 -10.651 8.871 -0.271 1.00 3.01 C ATOM 1868 NZ LYS A 116 -11.387 8.845 1.021 1.00 3.72 N ATOM 0 H LYS A 116 -8.838 5.799 -4.102 1.00 1.06 H new ATOM 0 HA LYS A 116 -10.923 5.288 -2.165 1.00 1.22 H new ATOM 0 HB2 LYS A 116 -10.626 7.120 -4.570 1.00 1.30 H new ATOM 0 HB3 LYS A 116 -12.109 7.029 -3.641 1.00 1.30 H new ATOM 0 HG2 LYS A 116 -9.402 7.760 -2.466 1.00 2.03 H new ATOM 0 HG3 LYS A 116 -10.596 8.928 -2.995 1.00 2.03 H new ATOM 0 HD2 LYS A 116 -12.242 7.947 -1.375 1.00 2.39 H new ATOM 0 HD3 LYS A 116 -11.010 6.829 -0.823 1.00 2.39 H new ATOM 0 HE2 LYS A 116 -9.590 8.703 -0.087 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -10.744 9.859 -0.721 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -11.003 9.576 1.654 1.00 3.72 H new ATOM 0 HZ2 LYS A 116 -12.396 9.031 0.850 1.00 3.72 H new ATOM 0 HZ3 LYS A 116 -11.277 7.911 1.464 1.00 3.72 H new ATOM 1882 N LYS A 117 -11.074 4.021 -5.147 1.00 1.07 N ATOM 1883 CA LYS A 117 -11.825 3.145 -6.036 1.00 1.13 C ATOM 1884 C LYS A 117 -11.524 1.676 -5.734 1.00 1.02 C ATOM 1885 O LYS A 117 -12.391 0.813 -5.891 1.00 1.07 O ATOM 1886 CB LYS A 117 -11.469 3.476 -7.498 1.00 1.24 C ATOM 1887 CG LYS A 117 -12.432 2.904 -8.540 1.00 1.58 C ATOM 1888 CD LYS A 117 -12.139 1.446 -8.873 1.00 2.03 C ATOM 1889 CE LYS A 117 -10.807 1.291 -9.583 1.00 2.71 C ATOM 1890 NZ LYS A 117 -10.476 -0.136 -9.848 1.00 3.47 N ATOM 0 H LYS A 117 -10.122 4.216 -5.457 1.00 1.07 H new ATOM 0 HA LYS A 117 -12.891 3.308 -5.877 1.00 1.13 H new ATOM 0 HB2 LYS A 117 -11.435 4.559 -7.612 1.00 1.24 H new ATOM 0 HB3 LYS A 117 -10.467 3.102 -7.706 1.00 1.24 H new ATOM 0 HG2 LYS A 117 -13.454 2.990 -8.170 1.00 1.58 H new ATOM 0 HG3 LYS A 117 -12.371 3.500 -9.451 1.00 1.58 H new ATOM 0 HD2 LYS A 117 -12.134 0.857 -7.956 1.00 2.03 H new ATOM 0 HD3 LYS A 117 -12.936 1.049 -9.502 1.00 2.03 H new ATOM 0 HE2 LYS A 117 -10.834 1.838 -10.526 1.00 2.71 H new ATOM 0 HE3 LYS A 117 -10.019 1.739 -8.977 1.00 2.71 H new ATOM 0 HZ1 LYS A 117 -9.672 -0.190 -10.505 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -10.225 -0.606 -8.955 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -11.300 -0.611 -10.270 1.00 3.47 H new ATOM 1904 N TYR A 118 -10.300 1.422 -5.270 1.00 0.95 N ATOM 1905 CA TYR A 118 -9.759 0.071 -5.113 1.00 0.95 C ATOM 1906 C TYR A 118 -9.433 -0.538 -6.467 1.00 1.19 C ATOM 1907 O TYR A 118 -10.317 -0.973 -7.205 1.00 1.58 O ATOM 1908 CB TYR A 118 -10.681 -0.845 -4.305 1.00 1.75 C ATOM 1909 CG TYR A 118 -10.337 -0.874 -2.838 1.00 1.89 C ATOM 1910 CD1 TYR A 118 -10.871 0.055 -1.956 1.00 2.44 C ATOM 1911 CD2 TYR A 118 -9.463 -1.831 -2.338 1.00 1.87 C ATOM 1912 CE1 TYR A 118 -10.546 0.030 -0.615 1.00 2.86 C ATOM 1913 CE2 TYR A 118 -9.131 -1.865 -1.000 1.00 2.31 C ATOM 1914 CZ TYR A 118 -9.677 -0.931 -0.142 1.00 2.77 C ATOM 1915 OH TYR A 118 -9.357 -0.959 1.193 1.00 3.35 O ATOM 0 H TYR A 118 -9.649 2.156 -4.990 1.00 0.95 H new ATOM 0 HA TYR A 118 -8.836 0.164 -4.540 1.00 0.95 H new ATOM 0 HB2 TYR A 118 -11.712 -0.512 -4.425 1.00 1.75 H new ATOM 0 HB3 TYR A 118 -10.624 -1.857 -4.707 1.00 1.75 H new ATOM 0 HD1 TYR A 118 -11.551 0.809 -2.325 1.00 2.44 H new ATOM 0 HD2 TYR A 118 -9.036 -2.561 -3.009 1.00 1.87 H new ATOM 0 HE1 TYR A 118 -10.970 0.759 0.060 1.00 2.86 H new ATOM 0 HE2 TYR A 118 -8.450 -2.615 -0.627 1.00 2.31 H new ATOM 0 HH TYR A 118 -10.178 -0.929 1.727 1.00 3.35 H new