USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 905 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 12 SER OG : rot -52:sc= 1.26 USER MOD Set 1.2: A 116 THR OG1 : rot -161:sc= 1.24 USER MOD Set 2.1: A 106 THR OG1 : rot 2:sc= 1.26 USER MOD Set 2.2: A 111 HIS :FLIP no HE2:sc= -2.59 F(o=-2.9,f=-1.3) USER MOD Set 3.1: A 13 HIS : no HE2:sc= -1.53! C(o=-0.19!,f=-4.9!) USER MOD Set 3.2: A 69 SER OG : rot -177:sc= 1.34 USER MOD Set 4.1: A 11 CYS SG : rot -39:sc= 0.733 USER MOD Set 4.2: A 92 SER OG : rot -111:sc= 1.18 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0911 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 4 MET CE :methyl -157:sc= -0.148 (180deg=-0.71) USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= 1.11 (180deg=0.797) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.161 F(o=-1,f=-0.16) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 20 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.17) USER MOD Single : A 21 SER OG : rot 129:sc= 1.19 USER MOD Single : A 25 SER OG : rot -74:sc= 0.991 USER MOD Single : A 26 SER OG : rot 180:sc= 0.599 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.085 F(o=-0.92,f=-0.085) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0962 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0731 USER MOD Single : A 36 LYS NZ :NH3+ -149:sc= 0.0544 (180deg=-1.85!) USER MOD Single : A 44 ASN : amide:sc= -0.421 K(o=-0.42,f=-1) USER MOD Single : A 46 TYR OH : rot 60:sc= 0.798 USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.14) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 72:sc= 1.24 USER MOD Single : A 59 SER OG : rot -129:sc= 0.908 USER MOD Single : A 62 SER OG : rot 99:sc= -0.769! USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0461 F(o=-1.3!,f=-0.046) USER MOD Single : A 65 SER OG : rot 180:sc= 0.564 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= -0.0539 (180deg=-0.272) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0401 USER MOD Single : A 83 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.36) USER MOD Single : A 84 MET CE :methyl 168:sc= -0.0305 (180deg=-0.268) USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 168:sc= -0.0269 (180deg=-0.162) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -164:sc= -0.195 (180deg=-0.804) USER MOD Single : A 101 SER OG : rot 90:sc= -1.92! USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.186 -26.244 9.759 1.00 31.14 N ATOM 2 CA GLY A 1 4.795 -25.788 11.020 1.00 12.41 C ATOM 3 C GLY A 1 4.992 -24.295 11.035 1.00 62.51 C ATOM 4 O GLY A 1 4.434 -23.587 10.202 1.00 64.31 O ATOM 0 H1 GLY A 1 3.384 -26.872 9.968 1.00 31.14 H new ATOM 0 H2 GLY A 1 3.850 -25.422 9.219 1.00 31.14 H new ATOM 0 H3 GLY A 1 4.894 -26.760 9.199 1.00 31.14 H new ATOM 0 HA2 GLY A 1 4.161 -26.080 11.857 1.00 12.41 H new ATOM 0 HA3 GLY A 1 5.756 -26.283 11.160 1.00 12.41 H new ATOM 10 N SER A 2 5.780 -23.812 11.973 1.00 10.12 N ATOM 11 CA SER A 2 6.053 -22.395 12.086 1.00 55.44 C ATOM 12 C SER A 2 7.217 -22.014 11.174 1.00 14.00 C ATOM 13 O SER A 2 8.382 -22.183 11.535 1.00 72.14 O ATOM 14 CB SER A 2 6.383 -22.047 13.537 1.00 22.32 C ATOM 15 OG SER A 2 5.449 -22.645 14.424 1.00 60.45 O ATOM 0 H SER A 2 6.247 -24.387 12.675 1.00 10.12 H new ATOM 0 HA SER A 2 5.170 -21.834 11.779 1.00 55.44 H new ATOM 0 HB2 SER A 2 7.390 -22.388 13.778 1.00 22.32 H new ATOM 0 HB3 SER A 2 6.374 -20.965 13.667 1.00 22.32 H new ATOM 0 HG SER A 2 5.679 -22.411 15.348 1.00 60.45 H new ATOM 21 N HIS A 3 6.901 -21.529 9.986 1.00 75.41 N ATOM 22 CA HIS A 3 7.927 -21.154 9.031 1.00 65.32 C ATOM 23 C HIS A 3 7.755 -19.714 8.574 1.00 74.13 C ATOM 24 O HIS A 3 6.970 -19.423 7.669 1.00 41.00 O ATOM 25 CB HIS A 3 7.927 -22.099 7.817 1.00 43.14 C ATOM 26 CG HIS A 3 9.020 -21.810 6.822 1.00 54.31 C ATOM 27 ND1 HIS A 3 8.851 -20.979 5.731 1.00 34.02 N ATOM 28 CD2 HIS A 3 10.302 -22.241 6.763 1.00 61.44 C ATOM 29 CE1 HIS A 3 9.980 -20.916 5.050 1.00 13.41 C ATOM 30 NE2 HIS A 3 10.874 -21.670 5.656 1.00 42.04 N ATOM 0 H HIS A 3 5.945 -21.386 9.661 1.00 75.41 H new ATOM 0 HA HIS A 3 8.889 -21.241 9.537 1.00 65.32 H new ATOM 0 HB2 HIS A 3 8.030 -23.126 8.168 1.00 43.14 H new ATOM 0 HB3 HIS A 3 6.963 -22.029 7.314 1.00 43.14 H new ATOM 0 HD2 HIS A 3 10.785 -22.911 7.459 1.00 61.44 H new ATOM 0 HE1 HIS A 3 10.143 -20.343 4.149 1.00 13.41 H new ATOM 0 HE2 HIS A 3 11.837 -21.807 5.350 1.00 42.04 H new ATOM 39 N MET A 4 8.472 -18.823 9.213 1.00 53.44 N ATOM 40 CA MET A 4 8.466 -17.426 8.837 1.00 71.02 C ATOM 41 C MET A 4 9.713 -17.113 8.017 1.00 4.02 C ATOM 42 O MET A 4 10.569 -17.984 7.841 1.00 54.41 O ATOM 43 CB MET A 4 8.370 -16.511 10.075 1.00 54.11 C ATOM 44 CG MET A 4 9.394 -16.801 11.169 1.00 4.52 C ATOM 45 SD MET A 4 9.047 -18.323 12.086 1.00 33.42 S ATOM 46 CE MET A 4 7.495 -17.902 12.880 1.00 42.32 C ATOM 0 H MET A 4 9.075 -19.042 10.006 1.00 53.44 H new ATOM 0 HA MET A 4 7.584 -17.232 8.227 1.00 71.02 H new ATOM 0 HB2 MET A 4 8.486 -15.476 9.754 1.00 54.11 H new ATOM 0 HB3 MET A 4 7.370 -16.602 10.500 1.00 54.11 H new ATOM 0 HG2 MET A 4 10.385 -16.873 10.720 1.00 4.52 H new ATOM 0 HG3 MET A 4 9.419 -15.963 11.865 1.00 4.52 H new ATOM 0 HE1 MET A 4 7.357 -18.526 13.763 1.00 42.32 H new ATOM 0 HE2 MET A 4 7.510 -16.853 13.176 1.00 42.32 H new ATOM 0 HE3 MET A 4 6.673 -18.071 12.185 1.00 42.32 H new ATOM 56 N GLU A 5 9.806 -15.884 7.516 1.00 54.14 N ATOM 57 CA GLU A 5 10.931 -15.454 6.670 1.00 34.10 C ATOM 58 C GLU A 5 11.144 -16.412 5.492 1.00 70.14 C ATOM 59 O GLU A 5 12.097 -17.193 5.477 1.00 3.11 O ATOM 60 CB GLU A 5 12.237 -15.305 7.475 1.00 41.54 C ATOM 61 CG GLU A 5 12.294 -14.082 8.388 1.00 74.23 C ATOM 62 CD GLU A 5 11.354 -14.167 9.567 1.00 31.12 C ATOM 63 OE1 GLU A 5 11.742 -14.745 10.602 1.00 2.21 O ATOM 64 OE2 GLU A 5 10.219 -13.644 9.468 1.00 34.32 O ATOM 0 H GLU A 5 9.110 -15.156 7.680 1.00 54.14 H new ATOM 0 HA GLU A 5 10.666 -14.473 6.277 1.00 34.10 H new ATOM 0 HB2 GLU A 5 12.377 -16.200 8.082 1.00 41.54 H new ATOM 0 HB3 GLU A 5 13.073 -15.259 6.777 1.00 41.54 H new ATOM 0 HG2 GLU A 5 13.313 -13.959 8.754 1.00 74.23 H new ATOM 0 HG3 GLU A 5 12.055 -13.192 7.806 1.00 74.23 H new ATOM 71 N PRO A 6 10.234 -16.398 4.517 1.00 54.44 N ATOM 72 CA PRO A 6 10.322 -17.232 3.348 1.00 62.54 C ATOM 73 C PRO A 6 10.883 -16.471 2.148 1.00 0.43 C ATOM 74 O PRO A 6 11.375 -15.349 2.286 1.00 14.04 O ATOM 75 CB PRO A 6 8.856 -17.597 3.107 1.00 64.35 C ATOM 76 CG PRO A 6 8.053 -16.478 3.731 1.00 64.40 C ATOM 77 CD PRO A 6 9.026 -15.589 4.480 1.00 22.43 C ATOM 0 HA PRO A 6 10.986 -18.086 3.481 1.00 62.54 H new ATOM 0 HB2 PRO A 6 8.644 -17.685 2.042 1.00 64.35 H new ATOM 0 HB3 PRO A 6 8.611 -18.557 3.562 1.00 64.35 H new ATOM 0 HG2 PRO A 6 7.525 -15.910 2.965 1.00 64.40 H new ATOM 0 HG3 PRO A 6 7.298 -16.878 4.408 1.00 64.40 H new ATOM 0 HD2 PRO A 6 9.188 -14.642 3.965 1.00 22.43 H new ATOM 0 HD3 PRO A 6 8.668 -15.350 5.481 1.00 22.43 H new ATOM 85 N ALA A 7 10.812 -17.085 0.981 1.00 52.44 N ATOM 86 CA ALA A 7 11.276 -16.450 -0.241 1.00 64.03 C ATOM 87 C ALA A 7 10.114 -15.802 -0.972 1.00 75.14 C ATOM 88 O ALA A 7 10.281 -14.806 -1.671 1.00 54.14 O ATOM 89 CB ALA A 7 11.962 -17.465 -1.141 1.00 71.14 C ATOM 0 H ALA A 7 10.437 -18.025 0.853 1.00 52.44 H new ATOM 0 HA ALA A 7 11.998 -15.678 0.024 1.00 64.03 H new ATOM 0 HB1 ALA A 7 12.303 -16.972 -2.051 1.00 71.14 H new ATOM 0 HB2 ALA A 7 12.817 -17.895 -0.619 1.00 71.14 H new ATOM 0 HB3 ALA A 7 11.259 -18.257 -1.399 1.00 71.14 H new ATOM 95 N ARG A 8 8.937 -16.378 -0.803 1.00 55.51 N ATOM 96 CA ARG A 8 7.735 -15.876 -1.440 1.00 64.32 C ATOM 97 C ARG A 8 6.688 -15.498 -0.403 1.00 42.31 C ATOM 98 O ARG A 8 6.264 -16.333 0.402 1.00 73.41 O ATOM 99 CB ARG A 8 7.166 -16.921 -2.404 1.00 74.32 C ATOM 100 CG ARG A 8 8.003 -17.132 -3.655 1.00 51.35 C ATOM 101 CD ARG A 8 7.515 -18.328 -4.465 1.00 23.55 C ATOM 102 NE ARG A 8 6.074 -18.262 -4.756 1.00 50.20 N ATOM 103 CZ ARG A 8 5.547 -18.164 -5.987 1.00 53.13 C ATOM 104 NH1 ARG A 8 6.338 -18.073 -7.054 1.00 40.53 N ATOM 105 NH2 ARG A 8 4.228 -18.161 -6.146 1.00 42.12 N ATOM 0 H ARG A 8 8.789 -17.204 -0.223 1.00 55.51 H new ATOM 0 HA ARG A 8 8.000 -14.981 -2.004 1.00 64.32 H new ATOM 0 HB2 ARG A 8 7.072 -17.871 -1.878 1.00 74.32 H new ATOM 0 HB3 ARG A 8 6.161 -16.619 -2.699 1.00 74.32 H new ATOM 0 HG2 ARG A 8 7.966 -16.235 -4.273 1.00 51.35 H new ATOM 0 HG3 ARG A 8 9.045 -17.284 -3.374 1.00 51.35 H new ATOM 0 HD2 ARG A 8 8.070 -18.379 -5.402 1.00 23.55 H new ATOM 0 HD3 ARG A 8 7.730 -19.246 -3.917 1.00 23.55 H new ATOM 0 HE ARG A 8 5.429 -18.293 -3.966 1.00 50.20 H new ATOM 0 HH11 ARG A 8 7.352 -18.077 -6.939 1.00 40.53 H new ATOM 0 HH12 ARG A 8 5.930 -17.999 -7.986 1.00 40.53 H new ATOM 0 HH21 ARG A 8 3.616 -18.233 -5.333 1.00 42.12 H new ATOM 0 HH22 ARG A 8 3.827 -18.087 -7.081 1.00 42.12 H new ATOM 119 N VAL A 9 6.281 -14.246 -0.420 1.00 24.32 N ATOM 120 CA VAL A 9 5.265 -13.752 0.495 1.00 25.14 C ATOM 121 C VAL A 9 4.116 -13.141 -0.282 1.00 74.31 C ATOM 122 O VAL A 9 4.287 -12.728 -1.428 1.00 51.32 O ATOM 123 CB VAL A 9 5.825 -12.696 1.482 1.00 3.13 C ATOM 124 CG1 VAL A 9 6.883 -13.305 2.383 1.00 51.33 C ATOM 125 CG2 VAL A 9 6.385 -11.493 0.734 1.00 14.54 C ATOM 0 H VAL A 9 6.641 -13.542 -1.064 1.00 24.32 H new ATOM 0 HA VAL A 9 4.918 -14.607 1.075 1.00 25.14 H new ATOM 0 HB VAL A 9 5.001 -12.353 2.107 1.00 3.13 H new ATOM 0 HG11 VAL A 9 7.261 -12.544 3.066 1.00 51.33 H new ATOM 0 HG12 VAL A 9 6.446 -14.123 2.956 1.00 51.33 H new ATOM 0 HG13 VAL A 9 7.704 -13.686 1.775 1.00 51.33 H new ATOM 0 HG21 VAL A 9 6.771 -10.767 1.450 1.00 14.54 H new ATOM 0 HG22 VAL A 9 7.190 -11.817 0.075 1.00 14.54 H new ATOM 0 HG23 VAL A 9 5.594 -11.033 0.141 1.00 14.54 H new ATOM 135 N ARG A 10 2.952 -13.088 0.333 1.00 50.53 N ATOM 136 CA ARG A 10 1.786 -12.517 -0.308 1.00 72.03 C ATOM 137 C ARG A 10 1.167 -11.438 0.562 1.00 11.40 C ATOM 138 O ARG A 10 0.883 -11.665 1.748 1.00 71.13 O ATOM 139 CB ARG A 10 0.748 -13.595 -0.611 1.00 30.34 C ATOM 140 CG ARG A 10 -0.537 -13.037 -1.187 1.00 31.35 C ATOM 141 CD ARG A 10 -1.564 -14.117 -1.434 1.00 24.24 C ATOM 142 NE ARG A 10 -2.829 -13.553 -1.899 1.00 72.33 N ATOM 143 CZ ARG A 10 -3.988 -14.213 -1.921 1.00 22.14 C ATOM 144 NH1 ARG A 10 -4.045 -15.488 -1.551 1.00 13.52 N ATOM 145 NH2 ARG A 10 -5.087 -13.595 -2.320 1.00 5.15 N ATOM 0 H ARG A 10 2.789 -13.434 1.278 1.00 50.53 H new ATOM 0 HA ARG A 10 2.110 -12.069 -1.247 1.00 72.03 H new ATOM 0 HB2 ARG A 10 1.172 -14.313 -1.313 1.00 30.34 H new ATOM 0 HB3 ARG A 10 0.522 -14.141 0.305 1.00 30.34 H new ATOM 0 HG2 ARG A 10 -0.949 -12.295 -0.503 1.00 31.35 H new ATOM 0 HG3 ARG A 10 -0.321 -12.522 -2.123 1.00 31.35 H new ATOM 0 HD2 ARG A 10 -1.183 -14.821 -2.174 1.00 24.24 H new ATOM 0 HD3 ARG A 10 -1.731 -14.680 -0.516 1.00 24.24 H new ATOM 0 HE ARG A 10 -2.826 -12.588 -2.230 1.00 72.33 H new ATOM 0 HH11 ARG A 10 -3.199 -15.969 -1.247 1.00 13.52 H new ATOM 0 HH12 ARG A 10 -4.935 -15.985 -1.571 1.00 13.52 H new ATOM 0 HH21 ARG A 10 -5.046 -12.618 -2.609 1.00 5.15 H new ATOM 0 HH22 ARG A 10 -5.975 -14.096 -2.339 1.00 5.15 H new ATOM 159 N CYS A 11 0.959 -10.278 -0.020 1.00 51.14 N ATOM 160 CA CYS A 11 0.362 -9.169 0.680 1.00 13.32 C ATOM 161 C CYS A 11 -0.358 -8.254 -0.299 1.00 62.32 C ATOM 162 O CYS A 11 -0.064 -8.259 -1.496 1.00 2.51 O ATOM 163 CB CYS A 11 1.435 -8.387 1.448 1.00 32.12 C ATOM 164 SG CYS A 11 2.776 -7.753 0.416 1.00 72.35 S ATOM 0 H CYS A 11 1.200 -10.080 -0.991 1.00 51.14 H new ATOM 0 HA CYS A 11 -0.365 -9.557 1.394 1.00 13.32 H new ATOM 0 HB2 CYS A 11 0.961 -7.550 1.961 1.00 32.12 H new ATOM 0 HB3 CYS A 11 1.858 -9.033 2.217 1.00 32.12 H new ATOM 0 HG CYS A 11 3.080 -8.634 -0.490 1.00 72.35 H new ATOM 170 N SER A 12 -1.304 -7.496 0.197 1.00 62.24 N ATOM 171 CA SER A 12 -2.011 -6.544 -0.622 1.00 11.03 C ATOM 172 C SER A 12 -1.338 -5.181 -0.468 1.00 52.24 C ATOM 173 O SER A 12 -0.737 -4.900 0.576 1.00 32.44 O ATOM 174 CB SER A 12 -3.473 -6.458 -0.187 1.00 65.13 C ATOM 175 OG SER A 12 -4.051 -7.744 -0.043 1.00 42.35 O ATOM 0 H SER A 12 -1.604 -7.521 1.172 1.00 62.24 H new ATOM 0 HA SER A 12 -1.983 -6.859 -1.665 1.00 11.03 H new ATOM 0 HB2 SER A 12 -3.541 -5.920 0.759 1.00 65.13 H new ATOM 0 HB3 SER A 12 -4.039 -5.884 -0.921 1.00 65.13 H new ATOM 0 HG SER A 12 -3.905 -8.262 -0.862 1.00 42.35 H new ATOM 181 N HIS A 13 -1.434 -4.331 -1.480 1.00 4.40 N ATOM 182 CA HIS A 13 -0.755 -3.047 -1.421 1.00 5.13 C ATOM 183 C HIS A 13 -1.626 -1.888 -1.904 1.00 63.22 C ATOM 184 O HIS A 13 -2.105 -1.876 -3.035 1.00 34.34 O ATOM 185 CB HIS A 13 0.589 -3.087 -2.198 1.00 52.40 C ATOM 186 CG HIS A 13 0.476 -3.280 -3.699 1.00 2.53 C ATOM 187 ND1 HIS A 13 1.406 -2.788 -4.591 1.00 5.11 N ATOM 188 CD2 HIS A 13 -0.455 -3.913 -4.453 1.00 10.03 C ATOM 189 CE1 HIS A 13 1.048 -3.106 -5.821 1.00 42.35 C ATOM 190 NE2 HIS A 13 -0.078 -3.790 -5.763 1.00 35.44 N ATOM 0 H HIS A 13 -1.964 -4.502 -2.335 1.00 4.40 H new ATOM 0 HA HIS A 13 -0.544 -2.862 -0.368 1.00 5.13 H new ATOM 0 HB2 HIS A 13 1.124 -2.157 -2.009 1.00 52.40 H new ATOM 0 HB3 HIS A 13 1.199 -3.894 -1.791 1.00 52.40 H new ATOM 0 HD1 HIS A 13 2.241 -2.260 -4.339 1.00 5.11 H new ATOM 0 HD2 HIS A 13 -1.334 -4.422 -4.087 1.00 10.03 H new ATOM 0 HE1 HIS A 13 1.586 -2.850 -6.722 1.00 42.35 H new ATOM 199 N LEU A 14 -1.820 -0.926 -1.031 1.00 24.53 N ATOM 200 CA LEU A 14 -2.537 0.291 -1.367 1.00 25.11 C ATOM 201 C LEU A 14 -1.500 1.398 -1.536 1.00 41.11 C ATOM 202 O LEU A 14 -0.466 1.375 -0.867 1.00 2.34 O ATOM 203 CB LEU A 14 -3.548 0.631 -0.245 1.00 55.35 C ATOM 204 CG LEU A 14 -4.642 1.667 -0.575 1.00 13.33 C ATOM 205 CD1 LEU A 14 -5.825 1.500 0.365 1.00 71.50 C ATOM 206 CD2 LEU A 14 -4.102 3.087 -0.470 1.00 13.53 C ATOM 0 H LEU A 14 -1.487 -0.961 -0.068 1.00 24.53 H new ATOM 0 HA LEU A 14 -3.105 0.174 -2.290 1.00 25.11 H new ATOM 0 HB2 LEU A 14 -4.039 -0.293 0.060 1.00 55.35 H new ATOM 0 HB3 LEU A 14 -2.988 0.994 0.617 1.00 55.35 H new ATOM 0 HG LEU A 14 -4.967 1.495 -1.601 1.00 13.33 H new ATOM 0 HD11 LEU A 14 -6.590 2.237 0.122 1.00 71.50 H new ATOM 0 HD12 LEU A 14 -6.239 0.498 0.255 1.00 71.50 H new ATOM 0 HD13 LEU A 14 -5.496 1.645 1.394 1.00 71.50 H new ATOM 0 HD21 LEU A 14 -4.895 3.796 -0.708 1.00 13.53 H new ATOM 0 HD22 LEU A 14 -3.747 3.267 0.545 1.00 13.53 H new ATOM 0 HD23 LEU A 14 -3.278 3.216 -1.171 1.00 13.53 H new ATOM 218 N LEU A 15 -1.738 2.330 -2.437 1.00 73.12 N ATOM 219 CA LEU A 15 -0.776 3.391 -2.681 1.00 75.43 C ATOM 220 C LEU A 15 -1.446 4.736 -2.869 1.00 23.53 C ATOM 221 O LEU A 15 -2.334 4.886 -3.696 1.00 70.21 O ATOM 222 CB LEU A 15 0.071 3.062 -3.916 1.00 14.12 C ATOM 223 CG LEU A 15 1.005 4.177 -4.416 1.00 31.42 C ATOM 224 CD1 LEU A 15 2.025 4.558 -3.354 1.00 52.21 C ATOM 225 CD2 LEU A 15 1.703 3.750 -5.695 1.00 62.45 C ATOM 0 H LEU A 15 -2.581 2.377 -3.009 1.00 73.12 H new ATOM 0 HA LEU A 15 -0.137 3.457 -1.800 1.00 75.43 H new ATOM 0 HB2 LEU A 15 0.676 2.183 -3.692 1.00 14.12 H new ATOM 0 HB3 LEU A 15 -0.601 2.788 -4.729 1.00 14.12 H new ATOM 0 HG LEU A 15 0.396 5.056 -4.627 1.00 31.42 H new ATOM 0 HD11 LEU A 15 2.671 5.348 -3.737 1.00 52.21 H new ATOM 0 HD12 LEU A 15 1.507 4.912 -2.463 1.00 52.21 H new ATOM 0 HD13 LEU A 15 2.629 3.687 -3.100 1.00 52.21 H new ATOM 0 HD21 LEU A 15 2.360 4.550 -6.035 1.00 62.45 H new ATOM 0 HD22 LEU A 15 2.292 2.853 -5.506 1.00 62.45 H new ATOM 0 HD23 LEU A 15 0.959 3.540 -6.463 1.00 62.45 H new ATOM 237 N VAL A 16 -1.018 5.702 -2.092 1.00 42.44 N ATOM 238 CA VAL A 16 -1.474 7.062 -2.250 1.00 60.14 C ATOM 239 C VAL A 16 -0.302 7.913 -2.698 1.00 35.04 C ATOM 240 O VAL A 16 0.724 7.997 -2.005 1.00 24.32 O ATOM 241 CB VAL A 16 -2.075 7.637 -0.949 1.00 65.23 C ATOM 242 CG1 VAL A 16 -2.513 9.081 -1.151 1.00 44.20 C ATOM 243 CG2 VAL A 16 -3.251 6.794 -0.494 1.00 24.03 C ATOM 0 H VAL A 16 -0.347 5.569 -1.336 1.00 42.44 H new ATOM 0 HA VAL A 16 -2.269 7.072 -2.996 1.00 60.14 H new ATOM 0 HB VAL A 16 -1.305 7.614 -0.178 1.00 65.23 H new ATOM 0 HG11 VAL A 16 -2.934 9.467 -0.222 1.00 44.20 H new ATOM 0 HG12 VAL A 16 -1.653 9.685 -1.439 1.00 44.20 H new ATOM 0 HG13 VAL A 16 -3.267 9.126 -1.937 1.00 44.20 H new ATOM 0 HG21 VAL A 16 -3.664 7.211 0.424 1.00 24.03 H new ATOM 0 HG22 VAL A 16 -4.018 6.791 -1.269 1.00 24.03 H new ATOM 0 HG23 VAL A 16 -2.917 5.773 -0.310 1.00 24.03 H new ATOM 253 N LYS A 17 -0.432 8.512 -3.856 1.00 42.50 N ATOM 254 CA LYS A 17 0.646 9.289 -4.429 1.00 55.42 C ATOM 255 C LYS A 17 0.559 10.754 -4.035 1.00 43.21 C ATOM 256 O LYS A 17 -0.501 11.245 -3.623 1.00 54.02 O ATOM 257 CB LYS A 17 0.667 9.127 -5.950 1.00 12.25 C ATOM 258 CG LYS A 17 1.035 7.719 -6.396 1.00 75.41 C ATOM 259 CD LYS A 17 0.809 7.516 -7.885 1.00 43.21 C ATOM 260 CE LYS A 17 1.188 6.103 -8.303 1.00 21.55 C ATOM 261 NZ LYS A 17 0.741 5.787 -9.678 1.00 45.44 N ATOM 0 H LYS A 17 -1.278 8.477 -4.425 1.00 42.50 H new ATOM 0 HA LYS A 17 1.584 8.907 -4.026 1.00 55.42 H new ATOM 0 HB2 LYS A 17 -0.314 9.384 -6.350 1.00 12.25 H new ATOM 0 HB3 LYS A 17 1.380 9.834 -6.375 1.00 12.25 H new ATOM 0 HG2 LYS A 17 2.081 7.525 -6.158 1.00 75.41 H new ATOM 0 HG3 LYS A 17 0.442 6.995 -5.837 1.00 75.41 H new ATOM 0 HD2 LYS A 17 -0.237 7.703 -8.127 1.00 43.21 H new ATOM 0 HD3 LYS A 17 1.401 8.237 -8.449 1.00 43.21 H new ATOM 0 HE2 LYS A 17 2.270 5.985 -8.238 1.00 21.55 H new ATOM 0 HE3 LYS A 17 0.747 5.390 -7.607 1.00 21.55 H new ATOM 0 HZ1 LYS A 17 1.277 4.972 -10.039 1.00 45.44 H new ATOM 0 HZ2 LYS A 17 -0.273 5.557 -9.669 1.00 45.44 H new ATOM 0 HZ3 LYS A 17 0.904 6.609 -10.294 1.00 45.44 H new ATOM 275 N HIS A 18 1.681 11.444 -4.161 1.00 23.55 N ATOM 276 CA HIS A 18 1.770 12.849 -3.809 1.00 12.33 C ATOM 277 C HIS A 18 2.440 13.636 -4.926 1.00 71.34 C ATOM 278 O HIS A 18 2.985 13.045 -5.858 1.00 54.34 O ATOM 279 CB HIS A 18 2.499 13.052 -2.455 1.00 10.23 C ATOM 280 CG HIS A 18 3.884 12.455 -2.354 1.00 4.14 C ATOM 281 ND1 HIS A 18 4.321 11.185 -2.532 1.00 70.25 N flip ATOM 282 CD2 HIS A 18 4.991 13.179 -1.967 1.00 42.32 C flip ATOM 283 CE1 HIS A 18 5.662 11.168 -2.249 1.00 25.02 C flip ATOM 284 NE2 HIS A 18 6.041 12.384 -1.912 1.00 21.05 N flip ATOM 0 H HIS A 18 2.553 11.046 -4.509 1.00 23.55 H new ATOM 0 HA HIS A 18 0.757 13.231 -3.685 1.00 12.33 H new ATOM 0 HB2 HIS A 18 2.571 14.122 -2.260 1.00 10.23 H new ATOM 0 HB3 HIS A 18 1.882 12.625 -1.665 1.00 10.23 H new ATOM 0 HD2 HIS A 18 4.997 14.236 -1.743 1.00 42.32 H new ATOM 0 HE1 HIS A 18 6.303 10.300 -2.295 1.00 25.02 H new ATOM 0 HE2 HIS A 18 6.987 12.663 -1.652 1.00 21.05 H new ATOM 293 N SER A 19 2.385 14.958 -4.825 1.00 31.15 N ATOM 294 CA SER A 19 2.931 15.857 -5.843 1.00 54.52 C ATOM 295 C SER A 19 4.390 15.533 -6.204 1.00 71.12 C ATOM 296 O SER A 19 4.748 15.481 -7.383 1.00 3.31 O ATOM 297 CB SER A 19 2.789 17.304 -5.375 1.00 74.23 C ATOM 298 OG SER A 19 3.066 17.413 -3.985 1.00 43.51 O ATOM 0 H SER A 19 1.960 15.442 -4.034 1.00 31.15 H new ATOM 0 HA SER A 19 2.355 15.711 -6.757 1.00 54.52 H new ATOM 0 HB2 SER A 19 3.471 17.942 -5.938 1.00 74.23 H new ATOM 0 HB3 SER A 19 1.779 17.660 -5.578 1.00 74.23 H new ATOM 0 HG SER A 19 2.971 18.347 -3.705 1.00 43.51 H new ATOM 304 N GLN A 20 5.222 15.317 -5.197 1.00 11.25 N ATOM 305 CA GLN A 20 6.615 14.968 -5.434 1.00 42.02 C ATOM 306 C GLN A 20 6.750 13.473 -5.672 1.00 63.21 C ATOM 307 O GLN A 20 6.946 12.699 -4.738 1.00 42.43 O ATOM 308 CB GLN A 20 7.503 15.401 -4.262 1.00 20.24 C ATOM 309 CG GLN A 20 7.537 16.904 -4.030 1.00 41.54 C ATOM 310 CD GLN A 20 8.016 17.675 -5.244 1.00 63.43 C ATOM 311 OE1 GLN A 20 7.217 18.095 -6.084 1.00 5.51 O ATOM 312 NE2 GLN A 20 9.317 17.856 -5.352 1.00 42.33 N ATOM 0 H GLN A 20 4.960 15.377 -4.213 1.00 11.25 H new ATOM 0 HA GLN A 20 6.949 15.501 -6.324 1.00 42.02 H new ATOM 0 HB2 GLN A 20 7.151 14.912 -3.354 1.00 20.24 H new ATOM 0 HB3 GLN A 20 8.519 15.049 -4.441 1.00 20.24 H new ATOM 0 HG2 GLN A 20 6.539 17.248 -3.758 1.00 41.54 H new ATOM 0 HG3 GLN A 20 8.191 17.122 -3.186 1.00 41.54 H new ATOM 0 HE21 GLN A 20 9.944 17.492 -4.634 1.00 42.33 H new ATOM 0 HE22 GLN A 20 9.697 18.360 -6.153 1.00 42.33 H new ATOM 321 N SER A 21 6.627 13.070 -6.913 1.00 54.52 N ATOM 322 CA SER A 21 6.693 11.671 -7.263 1.00 15.13 C ATOM 323 C SER A 21 7.158 11.517 -8.708 1.00 71.44 C ATOM 324 O SER A 21 7.508 12.504 -9.364 1.00 52.45 O ATOM 325 CB SER A 21 5.309 11.024 -7.064 1.00 5.30 C ATOM 326 OG SER A 21 5.364 9.610 -7.189 1.00 65.15 O ATOM 0 H SER A 21 6.479 13.697 -7.704 1.00 54.52 H new ATOM 0 HA SER A 21 7.411 11.167 -6.616 1.00 15.13 H new ATOM 0 HB2 SER A 21 4.923 11.287 -6.079 1.00 5.30 H new ATOM 0 HB3 SER A 21 4.611 11.427 -7.798 1.00 5.30 H new ATOM 0 HG SER A 21 4.928 9.196 -6.415 1.00 65.15 H new ATOM 332 N ARG A 22 7.157 10.285 -9.196 1.00 62.20 N ATOM 333 CA ARG A 22 7.562 9.985 -10.564 1.00 63.55 C ATOM 334 C ARG A 22 6.604 10.631 -11.563 1.00 45.13 C ATOM 335 O ARG A 22 6.959 10.875 -12.717 1.00 15.14 O ATOM 336 CB ARG A 22 7.637 8.467 -10.770 1.00 60.21 C ATOM 337 CG ARG A 22 6.334 7.733 -10.494 1.00 71.44 C ATOM 338 CD ARG A 22 6.580 6.424 -9.755 1.00 52.54 C ATOM 339 NE ARG A 22 7.518 5.549 -10.461 1.00 34.11 N ATOM 340 CZ ARG A 22 8.605 4.996 -9.907 1.00 1.31 C ATOM 341 NH1 ARG A 22 8.935 5.275 -8.645 1.00 11.22 N ATOM 342 NH2 ARG A 22 9.369 4.177 -10.620 1.00 73.03 N ATOM 0 H ARG A 22 6.876 9.466 -8.657 1.00 62.20 H new ATOM 0 HA ARG A 22 8.554 10.403 -10.738 1.00 63.55 H new ATOM 0 HB2 ARG A 22 7.943 8.266 -11.797 1.00 60.21 H new ATOM 0 HB3 ARG A 22 8.413 8.062 -10.121 1.00 60.21 H new ATOM 0 HG2 ARG A 22 5.675 8.368 -9.902 1.00 71.44 H new ATOM 0 HG3 ARG A 22 5.822 7.531 -11.435 1.00 71.44 H new ATOM 0 HD2 ARG A 22 6.968 6.640 -8.760 1.00 52.54 H new ATOM 0 HD3 ARG A 22 5.632 5.903 -9.621 1.00 52.54 H new ATOM 0 HE ARG A 22 7.331 5.346 -11.443 1.00 34.11 H new ATOM 0 HH11 ARG A 22 8.358 5.913 -8.096 1.00 11.22 H new ATOM 0 HH12 ARG A 22 9.764 4.851 -8.229 1.00 11.22 H new ATOM 0 HH21 ARG A 22 9.128 3.969 -11.589 1.00 73.03 H new ATOM 0 HH22 ARG A 22 10.197 3.756 -10.199 1.00 73.03 H new ATOM 356 N ARG A 23 5.393 10.906 -11.104 1.00 33.01 N ATOM 357 CA ARG A 23 4.395 11.591 -11.897 1.00 12.45 C ATOM 358 C ARG A 23 3.276 12.091 -10.995 1.00 40.51 C ATOM 359 O ARG A 23 2.566 11.294 -10.383 1.00 11.42 O ATOM 360 CB ARG A 23 3.820 10.684 -12.991 1.00 12.02 C ATOM 361 CG ARG A 23 2.833 11.401 -13.899 1.00 4.35 C ATOM 362 CD ARG A 23 2.279 10.485 -14.972 1.00 72.04 C ATOM 363 NE ARG A 23 1.324 11.183 -15.840 1.00 4.10 N ATOM 364 CZ ARG A 23 0.519 10.577 -16.715 1.00 12.51 C ATOM 365 NH1 ARG A 23 0.577 9.258 -16.873 1.00 33.50 N ATOM 366 NH2 ARG A 23 -0.334 11.294 -17.440 1.00 21.40 N ATOM 0 H ARG A 23 5.078 10.658 -10.166 1.00 33.01 H new ATOM 0 HA ARG A 23 4.878 12.436 -12.387 1.00 12.45 H new ATOM 0 HB2 ARG A 23 4.637 10.287 -13.593 1.00 12.02 H new ATOM 0 HB3 ARG A 23 3.324 9.832 -12.526 1.00 12.02 H new ATOM 0 HG2 ARG A 23 2.012 11.797 -13.301 1.00 4.35 H new ATOM 0 HG3 ARG A 23 3.325 12.253 -14.368 1.00 4.35 H new ATOM 0 HD2 ARG A 23 3.098 10.092 -15.574 1.00 72.04 H new ATOM 0 HD3 ARG A 23 1.789 9.631 -14.504 1.00 72.04 H new ATOM 0 HE ARG A 23 1.272 12.199 -15.770 1.00 4.10 H new ATOM 0 HH11 ARG A 23 1.238 8.707 -16.325 1.00 33.50 H new ATOM 0 HH12 ARG A 23 -0.039 8.797 -17.542 1.00 33.50 H new ATOM 0 HH21 ARG A 23 -0.373 12.307 -17.327 1.00 21.40 H new ATOM 0 HH22 ARG A 23 -0.949 10.831 -18.109 1.00 21.40 H new ATOM 380 N PRO A 24 3.108 13.419 -10.896 1.00 34.14 N ATOM 381 CA PRO A 24 2.063 14.034 -10.061 1.00 1.52 C ATOM 382 C PRO A 24 0.675 13.960 -10.712 1.00 10.40 C ATOM 383 O PRO A 24 -0.128 14.887 -10.601 1.00 41.33 O ATOM 384 CB PRO A 24 2.524 15.489 -9.954 1.00 52.01 C ATOM 385 CG PRO A 24 3.268 15.739 -11.218 1.00 35.13 C ATOM 386 CD PRO A 24 3.932 14.437 -11.582 1.00 73.34 C ATOM 0 HA PRO A 24 1.952 13.529 -9.102 1.00 1.52 H new ATOM 0 HB2 PRO A 24 1.677 16.167 -9.852 1.00 52.01 H new ATOM 0 HB3 PRO A 24 3.161 15.640 -9.082 1.00 52.01 H new ATOM 0 HG2 PRO A 24 2.593 16.065 -12.009 1.00 35.13 H new ATOM 0 HG3 PRO A 24 4.007 16.529 -11.084 1.00 35.13 H new ATOM 0 HD2 PRO A 24 3.944 14.282 -12.661 1.00 73.34 H new ATOM 0 HD3 PRO A 24 4.968 14.408 -11.244 1.00 73.34 H new ATOM 394 N SER A 25 0.393 12.846 -11.360 1.00 55.12 N ATOM 395 CA SER A 25 -0.877 12.644 -12.024 1.00 62.42 C ATOM 396 C SER A 25 -1.369 11.220 -11.798 1.00 15.23 C ATOM 397 O SER A 25 -0.786 10.265 -12.316 1.00 32.31 O ATOM 398 CB SER A 25 -0.734 12.920 -13.521 1.00 74.34 C ATOM 399 OG SER A 25 -0.241 14.231 -13.750 1.00 13.43 O ATOM 0 H SER A 25 1.037 12.059 -11.440 1.00 55.12 H new ATOM 0 HA SER A 25 -1.607 13.336 -11.605 1.00 62.42 H new ATOM 0 HB2 SER A 25 -0.058 12.190 -13.966 1.00 74.34 H new ATOM 0 HB3 SER A 25 -1.700 12.800 -14.011 1.00 74.34 H new ATOM 0 HG SER A 25 -0.952 14.883 -13.576 1.00 13.43 H new ATOM 405 N SER A 26 -2.420 11.079 -11.019 1.00 12.23 N ATOM 406 CA SER A 26 -2.981 9.778 -10.718 1.00 4.32 C ATOM 407 C SER A 26 -4.234 9.554 -11.549 1.00 13.51 C ATOM 408 O SER A 26 -4.511 10.313 -12.485 1.00 42.33 O ATOM 409 CB SER A 26 -3.327 9.701 -9.231 1.00 5.25 C ATOM 410 OG SER A 26 -4.296 10.686 -8.886 1.00 1.12 O ATOM 0 H SER A 26 -2.908 11.858 -10.578 1.00 12.23 H new ATOM 0 HA SER A 26 -2.250 9.006 -10.959 1.00 4.32 H new ATOM 0 HB2 SER A 26 -3.710 8.709 -8.993 1.00 5.25 H new ATOM 0 HB3 SER A 26 -2.426 9.846 -8.635 1.00 5.25 H new ATOM 0 HG SER A 26 -4.505 10.619 -7.931 1.00 1.12 H new ATOM 415 N TRP A 27 -4.987 8.518 -11.227 1.00 75.12 N ATOM 416 CA TRP A 27 -6.238 8.272 -11.909 1.00 72.43 C ATOM 417 C TRP A 27 -7.378 8.906 -11.126 1.00 73.41 C ATOM 418 O TRP A 27 -8.514 8.958 -11.589 1.00 3.35 O ATOM 419 CB TRP A 27 -6.481 6.770 -12.117 1.00 54.14 C ATOM 420 CG TRP A 27 -6.728 6.002 -10.859 1.00 42.43 C ATOM 421 CD1 TRP A 27 -5.820 5.695 -9.896 1.00 51.05 C ATOM 422 CD2 TRP A 27 -7.971 5.426 -10.436 1.00 24.14 C ATOM 423 NE1 TRP A 27 -6.419 4.976 -8.902 1.00 64.12 N ATOM 424 CE2 TRP A 27 -7.737 4.795 -9.207 1.00 31.14 C ATOM 425 CE3 TRP A 27 -9.258 5.387 -10.977 1.00 23.13 C ATOM 426 CZ2 TRP A 27 -8.738 4.131 -8.504 1.00 43.02 C ATOM 427 CZ3 TRP A 27 -10.252 4.727 -10.281 1.00 32.01 C ATOM 428 CH2 TRP A 27 -9.987 4.108 -9.056 1.00 32.02 C ATOM 0 H TRP A 27 -4.754 7.839 -10.502 1.00 75.12 H new ATOM 0 HA TRP A 27 -6.189 8.727 -12.898 1.00 72.43 H new ATOM 0 HB2 TRP A 27 -7.337 6.642 -12.780 1.00 54.14 H new ATOM 0 HB3 TRP A 27 -5.617 6.342 -12.625 1.00 54.14 H new ATOM 0 HD1 TRP A 27 -4.778 5.978 -9.914 1.00 51.05 H new ATOM 0 HE1 TRP A 27 -5.954 4.629 -8.063 1.00 64.12 H new ATOM 0 HE3 TRP A 27 -9.472 5.864 -11.922 1.00 23.13 H new ATOM 0 HZ2 TRP A 27 -8.535 3.652 -7.558 1.00 43.02 H new ATOM 0 HZ3 TRP A 27 -11.251 4.689 -10.690 1.00 32.01 H new ATOM 0 HH2 TRP A 27 -10.786 3.601 -8.535 1.00 32.02 H new ATOM 439 N ARG A 28 -7.057 9.398 -9.934 1.00 42.13 N ATOM 440 CA ARG A 28 -8.039 10.055 -9.090 1.00 24.21 C ATOM 441 C ARG A 28 -7.963 11.564 -9.266 1.00 0.44 C ATOM 442 O ARG A 28 -8.971 12.264 -9.165 1.00 33.11 O ATOM 443 CB ARG A 28 -7.840 9.679 -7.615 1.00 50.02 C ATOM 444 CG ARG A 28 -8.100 8.210 -7.317 1.00 4.00 C ATOM 445 CD ARG A 28 -8.150 7.939 -5.820 1.00 12.14 C ATOM 446 NE ARG A 28 -6.842 8.070 -5.169 1.00 73.42 N ATOM 447 CZ ARG A 28 -6.659 8.068 -3.841 1.00 60.11 C ATOM 448 NH1 ARG A 28 -7.710 8.081 -3.019 1.00 3.32 N ATOM 449 NH2 ARG A 28 -5.426 8.088 -3.338 1.00 45.31 N ATOM 0 H ARG A 28 -6.120 9.352 -9.533 1.00 42.13 H new ATOM 0 HA ARG A 28 -9.028 9.714 -9.395 1.00 24.21 H new ATOM 0 HB2 ARG A 28 -6.820 9.925 -7.321 1.00 50.02 H new ATOM 0 HB3 ARG A 28 -8.504 10.288 -7.001 1.00 50.02 H new ATOM 0 HG2 ARG A 28 -9.043 7.908 -7.773 1.00 4.00 H new ATOM 0 HG3 ARG A 28 -7.317 7.603 -7.771 1.00 4.00 H new ATOM 0 HD2 ARG A 28 -8.852 8.631 -5.355 1.00 12.14 H new ATOM 0 HD3 ARG A 28 -8.534 6.933 -5.651 1.00 12.14 H new ATOM 0 HE ARG A 28 -6.020 8.169 -5.764 1.00 73.42 H new ATOM 0 HH11 ARG A 28 -8.656 8.092 -3.401 1.00 3.32 H new ATOM 0 HH12 ARG A 28 -7.568 8.079 -2.009 1.00 3.32 H new ATOM 0 HH21 ARG A 28 -4.620 8.105 -3.963 1.00 45.31 H new ATOM 0 HH22 ARG A 28 -5.287 8.086 -2.327 1.00 45.31 H new ATOM 463 N GLN A 29 -6.767 12.062 -9.533 1.00 72.21 N ATOM 464 CA GLN A 29 -6.564 13.479 -9.748 1.00 22.12 C ATOM 465 C GLN A 29 -5.548 13.708 -10.868 1.00 2.13 C ATOM 466 O GLN A 29 -4.467 13.114 -10.865 1.00 22.45 O ATOM 467 CB GLN A 29 -6.102 14.146 -8.445 1.00 22.45 C ATOM 468 CG GLN A 29 -5.896 15.649 -8.550 1.00 32.21 C ATOM 469 CD GLN A 29 -7.141 16.400 -8.994 1.00 33.11 C ATOM 470 OE1 GLN A 29 -8.307 15.896 -8.633 1.00 71.20 O flip ATOM 471 NE2 GLN A 29 -7.047 17.433 -9.654 1.00 20.11 N flip ATOM 0 H GLN A 29 -5.919 11.499 -9.606 1.00 72.21 H new ATOM 0 HA GLN A 29 -7.508 13.931 -10.051 1.00 22.12 H new ATOM 0 HB2 GLN A 29 -6.839 13.946 -7.667 1.00 22.45 H new ATOM 0 HB3 GLN A 29 -5.168 13.684 -8.126 1.00 22.45 H new ATOM 0 HG2 GLN A 29 -5.575 16.033 -7.581 1.00 32.21 H new ATOM 0 HG3 GLN A 29 -5.089 15.849 -9.255 1.00 32.21 H new ATOM 0 HE21 GLN A 29 -6.128 17.791 -9.913 1.00 20.11 H new ATOM 0 HE22 GLN A 29 -7.888 17.932 -9.942 1.00 20.11 H new ATOM 480 N GLU A 30 -5.906 14.562 -11.831 1.00 11.31 N ATOM 481 CA GLU A 30 -5.027 14.861 -12.968 1.00 21.02 C ATOM 482 C GLU A 30 -3.743 15.553 -12.508 1.00 52.44 C ATOM 483 O GLU A 30 -2.675 15.348 -13.081 1.00 43.43 O ATOM 484 CB GLU A 30 -5.756 15.718 -14.007 1.00 34.41 C ATOM 485 CG GLU A 30 -7.023 15.072 -14.547 1.00 42.31 C ATOM 486 CD GLU A 30 -7.642 15.855 -15.682 1.00 4.34 C ATOM 487 OE1 GLU A 30 -8.193 16.944 -15.430 1.00 30.43 O ATOM 488 OE2 GLU A 30 -7.591 15.378 -16.838 1.00 74.32 O ATOM 0 H GLU A 30 -6.797 15.059 -11.847 1.00 11.31 H new ATOM 0 HA GLU A 30 -4.751 13.914 -13.433 1.00 21.02 H new ATOM 0 HB2 GLU A 30 -6.010 16.679 -13.560 1.00 34.41 H new ATOM 0 HB3 GLU A 30 -5.080 15.922 -14.837 1.00 34.41 H new ATOM 0 HG2 GLU A 30 -6.793 14.063 -14.890 1.00 42.31 H new ATOM 0 HG3 GLU A 30 -7.749 14.976 -13.740 1.00 42.31 H new ATOM 495 N LYS A 31 -3.857 16.374 -11.484 1.00 65.11 N ATOM 496 CA LYS A 31 -2.701 17.023 -10.897 1.00 21.41 C ATOM 497 C LYS A 31 -2.745 16.883 -9.384 1.00 34.12 C ATOM 498 O LYS A 31 -3.493 17.583 -8.705 1.00 60.33 O ATOM 499 CB LYS A 31 -2.598 18.502 -11.316 1.00 12.14 C ATOM 500 CG LYS A 31 -3.865 19.316 -11.093 1.00 34.22 C ATOM 501 CD LYS A 31 -3.632 20.799 -11.350 1.00 53.04 C ATOM 502 CE LYS A 31 -2.709 21.412 -10.303 1.00 72.41 C ATOM 503 NZ LYS A 31 -2.530 22.870 -10.507 1.00 32.10 N ATOM 0 H LYS A 31 -4.744 16.609 -11.038 1.00 65.11 H new ATOM 0 HA LYS A 31 -1.806 16.528 -11.273 1.00 21.41 H new ATOM 0 HB2 LYS A 31 -1.782 18.966 -10.762 1.00 12.14 H new ATOM 0 HB3 LYS A 31 -2.334 18.549 -12.372 1.00 12.14 H new ATOM 0 HG2 LYS A 31 -4.653 18.951 -11.752 1.00 34.22 H new ATOM 0 HG3 LYS A 31 -4.214 19.174 -10.070 1.00 34.22 H new ATOM 0 HD2 LYS A 31 -3.199 20.933 -12.341 1.00 53.04 H new ATOM 0 HD3 LYS A 31 -4.587 21.324 -11.346 1.00 53.04 H new ATOM 0 HE2 LYS A 31 -3.118 21.232 -9.309 1.00 72.41 H new ATOM 0 HE3 LYS A 31 -1.738 20.918 -10.342 1.00 72.41 H new ATOM 0 HZ1 LYS A 31 -1.896 23.248 -9.774 1.00 32.10 H new ATOM 0 HZ2 LYS A 31 -2.116 23.041 -11.445 1.00 32.10 H new ATOM 0 HZ3 LYS A 31 -3.453 23.345 -10.444 1.00 32.10 H new ATOM 517 N ILE A 32 -1.963 15.953 -8.872 1.00 73.03 N ATOM 518 CA ILE A 32 -1.931 15.662 -7.450 1.00 43.43 C ATOM 519 C ILE A 32 -1.504 16.890 -6.647 1.00 71.10 C ATOM 520 O ILE A 32 -0.334 17.277 -6.644 1.00 44.11 O ATOM 521 CB ILE A 32 -0.992 14.474 -7.139 1.00 11.30 C ATOM 522 CG1 ILE A 32 -1.407 13.243 -7.953 1.00 21.14 C ATOM 523 CG2 ILE A 32 -1.018 14.156 -5.655 1.00 13.23 C ATOM 524 CD1 ILE A 32 -0.495 12.048 -7.763 1.00 53.53 C ATOM 0 H ILE A 32 -1.332 15.377 -9.429 1.00 73.03 H new ATOM 0 HA ILE A 32 -2.943 15.386 -7.154 1.00 43.43 H new ATOM 0 HB ILE A 32 0.025 14.751 -7.418 1.00 11.30 H new ATOM 0 HG12 ILE A 32 -2.423 12.961 -7.675 1.00 21.14 H new ATOM 0 HG13 ILE A 32 -1.428 13.508 -9.010 1.00 21.14 H new ATOM 0 HG21 ILE A 32 -0.352 13.317 -5.451 1.00 13.23 H new ATOM 0 HG22 ILE A 32 -0.687 15.028 -5.090 1.00 13.23 H new ATOM 0 HG23 ILE A 32 -2.033 13.894 -5.357 1.00 13.23 H new ATOM 0 HD11 ILE A 32 -0.853 11.217 -8.371 1.00 53.53 H new ATOM 0 HD12 ILE A 32 0.518 12.311 -8.068 1.00 53.53 H new ATOM 0 HD13 ILE A 32 -0.493 11.755 -6.713 1.00 53.53 H new ATOM 536 N THR A 33 -2.469 17.503 -5.989 1.00 53.14 N ATOM 537 CA THR A 33 -2.236 18.696 -5.201 1.00 25.41 C ATOM 538 C THR A 33 -1.843 18.364 -3.763 1.00 44.45 C ATOM 539 O THR A 33 -1.427 19.242 -3.005 1.00 63.13 O ATOM 540 CB THR A 33 -3.493 19.579 -5.199 1.00 14.21 C ATOM 541 OG1 THR A 33 -4.669 18.742 -5.253 1.00 12.20 O ATOM 542 CG2 THR A 33 -3.485 20.530 -6.387 1.00 63.30 C ATOM 0 H THR A 33 -3.439 17.186 -5.986 1.00 53.14 H new ATOM 0 HA THR A 33 -1.405 19.232 -5.660 1.00 25.41 H new ATOM 0 HB THR A 33 -3.503 20.170 -4.283 1.00 14.21 H new ATOM 0 HG1 THR A 33 -5.471 19.305 -5.250 1.00 12.20 H new ATOM 0 HG21 THR A 33 -4.384 21.146 -6.366 1.00 63.30 H new ATOM 0 HG22 THR A 33 -2.605 21.171 -6.334 1.00 63.30 H new ATOM 0 HG23 THR A 33 -3.460 19.955 -7.313 1.00 63.30 H new ATOM 550 N ARG A 34 -1.961 17.100 -3.397 1.00 13.44 N ATOM 551 CA ARG A 34 -1.645 16.664 -2.044 1.00 1.34 C ATOM 552 C ARG A 34 -0.176 16.264 -1.913 1.00 44.01 C ATOM 553 O ARG A 34 0.369 15.556 -2.764 1.00 21.22 O ATOM 554 CB ARG A 34 -2.550 15.492 -1.633 1.00 20.15 C ATOM 555 CG ARG A 34 -2.484 14.306 -2.578 1.00 43.43 C ATOM 556 CD ARG A 34 -3.391 13.178 -2.135 1.00 13.40 C ATOM 557 NE ARG A 34 -3.438 12.103 -3.128 1.00 71.34 N ATOM 558 CZ ARG A 34 -4.552 11.709 -3.761 1.00 60.24 C ATOM 559 NH1 ARG A 34 -5.718 12.312 -3.508 1.00 12.42 N ATOM 560 NH2 ARG A 34 -4.502 10.717 -4.643 1.00 61.32 N ATOM 0 H ARG A 34 -2.274 16.354 -4.018 1.00 13.44 H new ATOM 0 HA ARG A 34 -1.825 17.506 -1.375 1.00 1.34 H new ATOM 0 HB2 ARG A 34 -2.271 15.163 -0.632 1.00 20.15 H new ATOM 0 HB3 ARG A 34 -3.580 15.843 -1.577 1.00 20.15 H new ATOM 0 HG2 ARG A 34 -2.766 14.625 -3.581 1.00 43.43 H new ATOM 0 HG3 ARG A 34 -1.457 13.945 -2.635 1.00 43.43 H new ATOM 0 HD2 ARG A 34 -3.039 12.780 -1.183 1.00 13.40 H new ATOM 0 HD3 ARG A 34 -4.397 13.563 -1.967 1.00 13.40 H new ATOM 0 HE ARG A 34 -2.567 11.623 -3.353 1.00 71.34 H new ATOM 0 HH11 ARG A 34 -5.762 13.074 -2.832 1.00 12.42 H new ATOM 0 HH12 ARG A 34 -6.564 12.010 -3.991 1.00 12.42 H new ATOM 0 HH21 ARG A 34 -3.615 10.254 -4.840 1.00 61.32 H new ATOM 0 HH22 ARG A 34 -5.351 10.419 -5.124 1.00 61.32 H new ATOM 574 N THR A 35 0.460 16.738 -0.859 1.00 25.11 N ATOM 575 CA THR A 35 1.834 16.386 -0.573 1.00 42.34 C ATOM 576 C THR A 35 1.873 15.113 0.288 1.00 71.21 C ATOM 577 O THR A 35 0.831 14.499 0.538 1.00 75.31 O ATOM 578 CB THR A 35 2.584 17.551 0.144 1.00 41.22 C ATOM 579 OG1 THR A 35 3.962 17.209 0.353 1.00 22.24 O ATOM 580 CG2 THR A 35 1.936 17.881 1.481 1.00 23.20 C ATOM 0 H THR A 35 0.040 17.374 -0.181 1.00 25.11 H new ATOM 0 HA THR A 35 2.344 16.200 -1.518 1.00 42.34 H new ATOM 0 HB THR A 35 2.523 18.428 -0.500 1.00 41.22 H new ATOM 0 HG1 THR A 35 4.419 17.951 0.802 1.00 22.24 H new ATOM 0 HG21 THR A 35 2.480 18.696 1.958 1.00 23.20 H new ATOM 0 HG22 THR A 35 0.901 18.181 1.319 1.00 23.20 H new ATOM 0 HG23 THR A 35 1.962 17.002 2.125 1.00 23.20 H new ATOM 588 N LYS A 36 3.062 14.724 0.736 1.00 2.32 N ATOM 589 CA LYS A 36 3.231 13.521 1.544 1.00 20.11 C ATOM 590 C LYS A 36 2.438 13.623 2.843 1.00 22.32 C ATOM 591 O LYS A 36 1.752 12.685 3.231 1.00 11.14 O ATOM 592 CB LYS A 36 4.714 13.285 1.852 1.00 25.45 C ATOM 593 CG LYS A 36 4.987 12.014 2.647 1.00 13.12 C ATOM 594 CD LYS A 36 6.473 11.833 2.960 1.00 43.04 C ATOM 595 CE LYS A 36 6.931 12.671 4.161 1.00 4.44 C ATOM 596 NZ LYS A 36 6.972 14.129 3.873 1.00 71.50 N ATOM 0 H LYS A 36 3.929 15.229 0.552 1.00 2.32 H new ATOM 0 HA LYS A 36 2.850 12.675 0.972 1.00 20.11 H new ATOM 0 HB2 LYS A 36 5.267 13.240 0.914 1.00 25.45 H new ATOM 0 HB3 LYS A 36 5.099 14.139 2.409 1.00 25.45 H new ATOM 0 HG2 LYS A 36 4.423 12.043 3.579 1.00 13.12 H new ATOM 0 HG3 LYS A 36 4.629 11.152 2.084 1.00 13.12 H new ATOM 0 HD2 LYS A 36 6.673 10.780 3.159 1.00 43.04 H new ATOM 0 HD3 LYS A 36 7.061 12.109 2.084 1.00 43.04 H new ATOM 0 HE2 LYS A 36 6.258 12.491 5.000 1.00 4.44 H new ATOM 0 HE3 LYS A 36 7.922 12.340 4.471 1.00 4.44 H new ATOM 0 HZ1 LYS A 36 7.724 14.573 4.438 1.00 71.50 H new ATOM 0 HZ2 LYS A 36 7.165 14.278 2.862 1.00 71.50 H new ATOM 0 HZ3 LYS A 36 6.056 14.557 4.118 1.00 71.50 H new ATOM 610 N GLU A 37 2.535 14.773 3.498 1.00 45.34 N ATOM 611 CA GLU A 37 1.825 15.018 4.751 1.00 22.40 C ATOM 612 C GLU A 37 0.318 14.879 4.556 1.00 74.11 C ATOM 613 O GLU A 37 -0.374 14.291 5.388 1.00 44.24 O ATOM 614 CB GLU A 37 2.151 16.414 5.309 1.00 20.20 C ATOM 615 CG GLU A 37 3.626 16.649 5.633 1.00 1.12 C ATOM 616 CD GLU A 37 4.481 16.867 4.400 1.00 54.33 C ATOM 617 OE1 GLU A 37 4.627 18.027 3.971 1.00 2.23 O ATOM 618 OE2 GLU A 37 5.008 15.882 3.853 1.00 33.24 O ATOM 0 H GLU A 37 3.103 15.558 3.180 1.00 45.34 H new ATOM 0 HA GLU A 37 2.159 14.270 5.470 1.00 22.40 H new ATOM 0 HB2 GLU A 37 1.829 17.163 4.585 1.00 20.20 H new ATOM 0 HB3 GLU A 37 1.565 16.573 6.214 1.00 20.20 H new ATOM 0 HG2 GLU A 37 3.714 17.517 6.286 1.00 1.12 H new ATOM 0 HG3 GLU A 37 4.011 15.793 6.187 1.00 1.12 H new ATOM 625 N GLU A 38 -0.177 15.413 3.448 1.00 74.53 N ATOM 626 CA GLU A 38 -1.594 15.333 3.123 1.00 11.43 C ATOM 627 C GLU A 38 -1.987 13.892 2.827 1.00 52.22 C ATOM 628 O GLU A 38 -2.974 13.387 3.354 1.00 53.34 O ATOM 629 CB GLU A 38 -1.916 16.216 1.918 1.00 73.12 C ATOM 630 CG GLU A 38 -1.672 17.696 2.149 1.00 72.22 C ATOM 631 CD GLU A 38 -2.578 18.277 3.208 1.00 63.44 C ATOM 632 OE1 GLU A 38 -3.757 18.568 2.896 1.00 41.22 O ATOM 633 OE2 GLU A 38 -2.118 18.454 4.354 1.00 30.24 O ATOM 0 H GLU A 38 0.385 15.909 2.756 1.00 74.53 H new ATOM 0 HA GLU A 38 -2.164 15.687 3.982 1.00 11.43 H new ATOM 0 HB2 GLU A 38 -1.315 15.888 1.070 1.00 73.12 H new ATOM 0 HB3 GLU A 38 -2.961 16.070 1.643 1.00 73.12 H new ATOM 0 HG2 GLU A 38 -0.633 17.847 2.442 1.00 72.22 H new ATOM 0 HG3 GLU A 38 -1.821 18.235 1.213 1.00 72.22 H new ATOM 640 N ALA A 39 -1.190 13.233 1.992 1.00 71.32 N ATOM 641 CA ALA A 39 -1.434 11.847 1.614 1.00 45.55 C ATOM 642 C ALA A 39 -1.420 10.937 2.835 1.00 33.24 C ATOM 643 O ALA A 39 -2.148 9.948 2.892 1.00 73.13 O ATOM 644 CB ALA A 39 -0.393 11.389 0.603 1.00 40.32 C ATOM 0 H ALA A 39 -0.361 13.643 1.561 1.00 71.32 H new ATOM 0 HA ALA A 39 -2.422 11.787 1.158 1.00 45.55 H new ATOM 0 HB1 ALA A 39 -0.585 10.352 0.328 1.00 40.32 H new ATOM 0 HB2 ALA A 39 -0.449 12.017 -0.286 1.00 40.32 H new ATOM 0 HB3 ALA A 39 0.601 11.470 1.043 1.00 40.32 H new ATOM 650 N LEU A 40 -0.594 11.291 3.810 1.00 72.22 N ATOM 651 CA LEU A 40 -0.466 10.527 5.042 1.00 72.41 C ATOM 652 C LEU A 40 -1.810 10.457 5.776 1.00 21.40 C ATOM 653 O LEU A 40 -2.153 9.426 6.360 1.00 35.14 O ATOM 654 CB LEU A 40 0.638 11.153 5.929 1.00 74.10 C ATOM 655 CG LEU A 40 1.108 10.345 7.158 1.00 64.41 C ATOM 656 CD1 LEU A 40 0.158 10.511 8.328 1.00 60.01 C ATOM 657 CD2 LEU A 40 1.275 8.871 6.810 1.00 23.30 C ATOM 0 H LEU A 40 0.005 12.115 3.769 1.00 72.22 H new ATOM 0 HA LEU A 40 -0.175 9.504 4.805 1.00 72.41 H new ATOM 0 HB2 LEU A 40 1.507 11.344 5.300 1.00 74.10 H new ATOM 0 HB3 LEU A 40 0.279 12.121 6.280 1.00 74.10 H new ATOM 0 HG LEU A 40 2.079 10.741 7.457 1.00 64.41 H new ATOM 0 HD11 LEU A 40 0.519 9.929 9.176 1.00 60.01 H new ATOM 0 HD12 LEU A 40 0.105 11.563 8.607 1.00 60.01 H new ATOM 0 HD13 LEU A 40 -0.834 10.160 8.044 1.00 60.01 H new ATOM 0 HD21 LEU A 40 1.607 8.324 7.693 1.00 23.30 H new ATOM 0 HD22 LEU A 40 0.321 8.467 6.470 1.00 23.30 H new ATOM 0 HD23 LEU A 40 2.017 8.766 6.018 1.00 23.30 H new ATOM 669 N GLU A 41 -2.575 11.544 5.725 1.00 73.01 N ATOM 670 CA GLU A 41 -3.881 11.574 6.366 1.00 11.41 C ATOM 671 C GLU A 41 -4.827 10.601 5.685 1.00 44.20 C ATOM 672 O GLU A 41 -5.567 9.872 6.350 1.00 15.14 O ATOM 673 CB GLU A 41 -4.469 12.978 6.357 1.00 12.22 C ATOM 674 CG GLU A 41 -3.644 13.984 7.130 1.00 15.33 C ATOM 675 CD GLU A 41 -4.389 15.268 7.376 1.00 11.23 C ATOM 676 OE1 GLU A 41 -5.159 15.331 8.357 1.00 64.15 O ATOM 677 OE2 GLU A 41 -4.213 16.222 6.598 1.00 74.35 O ATOM 0 H GLU A 41 -2.314 12.408 5.250 1.00 73.01 H new ATOM 0 HA GLU A 41 -3.751 11.271 7.405 1.00 11.41 H new ATOM 0 HB2 GLU A 41 -4.566 13.316 5.325 1.00 12.22 H new ATOM 0 HB3 GLU A 41 -5.474 12.945 6.777 1.00 12.22 H new ATOM 0 HG2 GLU A 41 -3.348 13.550 8.085 1.00 15.33 H new ATOM 0 HG3 GLU A 41 -2.728 14.198 6.580 1.00 15.33 H new ATOM 684 N LEU A 42 -4.793 10.588 4.351 1.00 14.14 N ATOM 685 CA LEU A 42 -5.587 9.647 3.574 1.00 61.45 C ATOM 686 C LEU A 42 -5.224 8.228 3.973 1.00 42.34 C ATOM 687 O LEU A 42 -6.096 7.383 4.171 1.00 53.31 O ATOM 688 CB LEU A 42 -5.354 9.839 2.063 1.00 31.43 C ATOM 689 CG LEU A 42 -6.064 11.031 1.400 1.00 15.43 C ATOM 690 CD1 LEU A 42 -5.528 12.357 1.908 1.00 53.44 C ATOM 691 CD2 LEU A 42 -5.942 10.949 -0.113 1.00 51.54 C ATOM 0 H LEU A 42 -4.222 11.221 3.790 1.00 14.14 H new ATOM 0 HA LEU A 42 -6.641 9.832 3.781 1.00 61.45 H new ATOM 0 HB2 LEU A 42 -4.282 9.945 1.895 1.00 31.43 H new ATOM 0 HB3 LEU A 42 -5.668 8.929 1.552 1.00 31.43 H new ATOM 0 HG LEU A 42 -7.119 10.979 1.670 1.00 15.43 H new ATOM 0 HD11 LEU A 42 -6.055 13.175 1.416 1.00 53.44 H new ATOM 0 HD12 LEU A 42 -5.681 12.423 2.985 1.00 53.44 H new ATOM 0 HD13 LEU A 42 -4.463 12.427 1.688 1.00 53.44 H new ATOM 0 HD21 LEU A 42 -6.450 11.800 -0.566 1.00 51.54 H new ATOM 0 HD22 LEU A 42 -4.889 10.963 -0.394 1.00 51.54 H new ATOM 0 HD23 LEU A 42 -6.399 10.024 -0.465 1.00 51.54 H new ATOM 703 N ILE A 43 -3.922 7.988 4.105 1.00 21.23 N ATOM 704 CA ILE A 43 -3.401 6.694 4.519 1.00 3.31 C ATOM 705 C ILE A 43 -4.016 6.268 5.849 1.00 3.13 C ATOM 706 O ILE A 43 -4.603 5.186 5.951 1.00 35.42 O ATOM 707 CB ILE A 43 -1.855 6.732 4.651 1.00 34.34 C ATOM 708 CG1 ILE A 43 -1.203 6.979 3.287 1.00 50.30 C ATOM 709 CG2 ILE A 43 -1.323 5.449 5.274 1.00 51.42 C ATOM 710 CD1 ILE A 43 -1.424 5.863 2.287 1.00 62.03 C ATOM 0 H ILE A 43 -3.201 8.687 3.927 1.00 21.23 H new ATOM 0 HA ILE A 43 -3.670 5.969 3.751 1.00 3.31 H new ATOM 0 HB ILE A 43 -1.596 7.558 5.313 1.00 34.34 H new ATOM 0 HG12 ILE A 43 -1.594 7.908 2.872 1.00 50.30 H new ATOM 0 HG13 ILE A 43 -0.131 7.119 3.428 1.00 50.30 H new ATOM 0 HG21 ILE A 43 -0.237 5.506 5.353 1.00 51.42 H new ATOM 0 HG22 ILE A 43 -1.753 5.321 6.267 1.00 51.42 H new ATOM 0 HG23 ILE A 43 -1.597 4.600 4.648 1.00 51.42 H new ATOM 0 HD11 ILE A 43 -0.932 6.114 1.347 1.00 62.03 H new ATOM 0 HD12 ILE A 43 -1.007 4.935 2.679 1.00 62.03 H new ATOM 0 HD13 ILE A 43 -2.493 5.736 2.114 1.00 62.03 H new ATOM 722 N ASN A 44 -3.894 7.130 6.859 1.00 31.14 N ATOM 723 CA ASN A 44 -4.456 6.848 8.183 1.00 43.03 C ATOM 724 C ASN A 44 -5.943 6.581 8.094 1.00 22.33 C ATOM 725 O ASN A 44 -6.458 5.678 8.752 1.00 63.43 O ATOM 726 CB ASN A 44 -4.214 8.004 9.152 1.00 1.31 C ATOM 727 CG ASN A 44 -2.763 8.169 9.534 1.00 11.52 C ATOM 728 OD1 ASN A 44 -1.987 7.210 9.528 1.00 71.33 O ATOM 729 ND2 ASN A 44 -2.392 9.380 9.885 1.00 51.10 N ATOM 0 H ASN A 44 -3.413 8.027 6.788 1.00 31.14 H new ATOM 0 HA ASN A 44 -3.949 5.960 8.560 1.00 43.03 H new ATOM 0 HB2 ASN A 44 -4.571 8.929 8.699 1.00 1.31 H new ATOM 0 HB3 ASN A 44 -4.804 7.842 10.054 1.00 1.31 H new ATOM 0 HD21 ASN A 44 -1.428 9.556 10.167 1.00 51.10 H new ATOM 0 HD22 ASN A 44 -3.068 10.144 9.875 1.00 51.10 H new ATOM 736 N GLY A 45 -6.632 7.375 7.283 1.00 5.21 N ATOM 737 CA GLY A 45 -8.059 7.206 7.107 1.00 42.44 C ATOM 738 C GLY A 45 -8.412 5.814 6.638 1.00 55.30 C ATOM 739 O GLY A 45 -9.285 5.160 7.215 1.00 50.13 O ATOM 0 H GLY A 45 -6.223 8.137 6.742 1.00 5.21 H new ATOM 0 HA2 GLY A 45 -8.567 7.410 8.050 1.00 42.44 H new ATOM 0 HA3 GLY A 45 -8.424 7.935 6.384 1.00 42.44 H new ATOM 743 N TYR A 46 -7.713 5.346 5.613 1.00 61.31 N ATOM 744 CA TYR A 46 -7.958 4.020 5.063 1.00 62.23 C ATOM 745 C TYR A 46 -7.632 2.944 6.095 1.00 42.42 C ATOM 746 O TYR A 46 -8.444 2.059 6.354 1.00 34.02 O ATOM 747 CB TYR A 46 -7.133 3.790 3.787 1.00 11.45 C ATOM 748 CG TYR A 46 -7.292 4.869 2.728 1.00 0.21 C ATOM 749 CD1 TYR A 46 -8.502 5.535 2.545 1.00 4.33 C ATOM 750 CD2 TYR A 46 -6.223 5.228 1.919 1.00 25.12 C ATOM 751 CE1 TYR A 46 -8.635 6.523 1.585 1.00 3.12 C ATOM 752 CE2 TYR A 46 -6.350 6.214 0.961 1.00 72.20 C ATOM 753 CZ TYR A 46 -7.553 6.858 0.797 1.00 42.12 C ATOM 754 OH TYR A 46 -7.677 7.843 -0.167 1.00 74.02 O ATOM 0 H TYR A 46 -6.971 5.866 5.145 1.00 61.31 H new ATOM 0 HA TYR A 46 -9.015 3.956 4.806 1.00 62.23 H new ATOM 0 HB2 TYR A 46 -6.080 3.718 4.059 1.00 11.45 H new ATOM 0 HB3 TYR A 46 -7.417 2.830 3.355 1.00 11.45 H new ATOM 0 HD1 TYR A 46 -9.350 5.276 3.162 1.00 4.33 H new ATOM 0 HD2 TYR A 46 -5.274 4.727 2.041 1.00 25.12 H new ATOM 0 HE1 TYR A 46 -9.580 7.029 1.453 1.00 3.12 H new ATOM 0 HE2 TYR A 46 -5.506 6.479 0.342 1.00 72.20 H new ATOM 0 HH TYR A 46 -7.930 8.688 0.260 1.00 74.02 H new ATOM 764 N ILE A 47 -6.445 3.048 6.696 1.00 62.02 N ATOM 765 CA ILE A 47 -5.986 2.086 7.704 1.00 3.24 C ATOM 766 C ILE A 47 -7.011 1.930 8.825 1.00 61.15 C ATOM 767 O ILE A 47 -7.396 0.808 9.181 1.00 63.53 O ATOM 768 CB ILE A 47 -4.628 2.517 8.318 1.00 22.20 C ATOM 769 CG1 ILE A 47 -3.535 2.526 7.251 1.00 22.13 C ATOM 770 CG2 ILE A 47 -4.239 1.603 9.476 1.00 1.44 C ATOM 771 CD1 ILE A 47 -2.196 3.015 7.759 1.00 3.43 C ATOM 0 H ILE A 47 -5.778 3.795 6.501 1.00 62.02 H new ATOM 0 HA ILE A 47 -5.861 1.130 7.195 1.00 3.24 H new ATOM 0 HB ILE A 47 -4.739 3.529 8.708 1.00 22.20 H new ATOM 0 HG12 ILE A 47 -3.417 1.517 6.855 1.00 22.13 H new ATOM 0 HG13 ILE A 47 -3.853 3.159 6.422 1.00 22.13 H new ATOM 0 HG21 ILE A 47 -3.284 1.926 9.889 1.00 1.44 H new ATOM 0 HG22 ILE A 47 -5.004 1.651 10.251 1.00 1.44 H new ATOM 0 HG23 ILE A 47 -4.151 0.578 9.117 1.00 1.44 H new ATOM 0 HD11 ILE A 47 -1.469 2.994 6.947 1.00 3.43 H new ATOM 0 HD12 ILE A 47 -2.298 4.035 8.129 1.00 3.43 H new ATOM 0 HD13 ILE A 47 -1.855 2.368 8.568 1.00 3.43 H new ATOM 783 N GLN A 48 -7.456 3.055 9.366 1.00 44.33 N ATOM 784 CA GLN A 48 -8.420 3.052 10.455 1.00 51.14 C ATOM 785 C GLN A 48 -9.723 2.383 10.031 1.00 24.00 C ATOM 786 O GLN A 48 -10.244 1.525 10.741 1.00 24.41 O ATOM 787 CB GLN A 48 -8.686 4.478 10.950 1.00 33.21 C ATOM 788 CG GLN A 48 -7.458 5.166 11.532 1.00 4.21 C ATOM 789 CD GLN A 48 -7.714 6.615 11.897 1.00 73.00 C ATOM 790 OE1 GLN A 48 -7.496 7.509 10.950 1.00 75.30 O flip ATOM 791 NE2 GLN A 48 -8.104 6.926 13.023 1.00 4.33 N flip ATOM 0 H GLN A 48 -7.163 3.985 9.066 1.00 44.33 H new ATOM 0 HA GLN A 48 -7.994 2.476 11.276 1.00 51.14 H new ATOM 0 HB2 GLN A 48 -9.067 5.075 10.121 1.00 33.21 H new ATOM 0 HB3 GLN A 48 -9.468 4.449 11.708 1.00 33.21 H new ATOM 0 HG2 GLN A 48 -7.131 4.625 12.420 1.00 4.21 H new ATOM 0 HG3 GLN A 48 -6.643 5.117 10.810 1.00 4.21 H new ATOM 0 HE21 GLN A 48 -8.260 6.204 13.726 1.00 4.33 H new ATOM 0 HE22 GLN A 48 -8.271 7.906 13.252 1.00 4.33 H new ATOM 800 N LYS A 49 -10.228 2.754 8.857 1.00 20.21 N ATOM 801 CA LYS A 49 -11.476 2.194 8.344 1.00 33.31 C ATOM 802 C LYS A 49 -11.383 0.680 8.152 1.00 12.42 C ATOM 803 O LYS A 49 -12.328 -0.049 8.460 1.00 71.34 O ATOM 804 CB LYS A 49 -11.869 2.872 7.026 1.00 23.24 C ATOM 805 CG LYS A 49 -12.454 4.268 7.195 1.00 62.02 C ATOM 806 CD LYS A 49 -13.846 4.207 7.805 1.00 14.25 C ATOM 807 CE LYS A 49 -14.423 5.592 8.037 1.00 75.33 C ATOM 808 NZ LYS A 49 -15.818 5.526 8.544 1.00 53.24 N ATOM 0 H LYS A 49 -9.792 3.441 8.242 1.00 20.21 H new ATOM 0 HA LYS A 49 -12.249 2.387 9.088 1.00 33.31 H new ATOM 0 HB2 LYS A 49 -10.989 2.933 6.385 1.00 23.24 H new ATOM 0 HB3 LYS A 49 -12.596 2.245 6.510 1.00 23.24 H new ATOM 0 HG2 LYS A 49 -11.801 4.865 7.831 1.00 62.02 H new ATOM 0 HG3 LYS A 49 -12.499 4.767 6.227 1.00 62.02 H new ATOM 0 HD2 LYS A 49 -14.507 3.644 7.146 1.00 14.25 H new ATOM 0 HD3 LYS A 49 -13.804 3.668 8.751 1.00 14.25 H new ATOM 0 HE2 LYS A 49 -13.801 6.131 8.752 1.00 75.33 H new ATOM 0 HE3 LYS A 49 -14.400 6.157 7.105 1.00 75.33 H new ATOM 0 HZ1 LYS A 49 -16.156 6.486 8.755 1.00 53.24 H new ATOM 0 HZ2 LYS A 49 -16.430 5.094 7.822 1.00 53.24 H new ATOM 0 HZ3 LYS A 49 -15.846 4.951 9.410 1.00 53.24 H new ATOM 822 N ILE A 50 -10.248 0.213 7.661 1.00 71.33 N ATOM 823 CA ILE A 50 -10.053 -1.210 7.409 1.00 23.50 C ATOM 824 C ILE A 50 -9.972 -2.015 8.710 1.00 25.42 C ATOM 825 O ILE A 50 -10.774 -2.919 8.937 1.00 71.02 O ATOM 826 CB ILE A 50 -8.781 -1.471 6.564 1.00 21.21 C ATOM 827 CG1 ILE A 50 -8.879 -0.741 5.225 1.00 21.21 C ATOM 828 CG2 ILE A 50 -8.586 -2.969 6.339 1.00 13.21 C ATOM 829 CD1 ILE A 50 -7.599 -0.767 4.417 1.00 4.31 C ATOM 0 H ILE A 50 -9.445 0.797 7.428 1.00 71.33 H new ATOM 0 HA ILE A 50 -10.926 -1.542 6.847 1.00 23.50 H new ATOM 0 HB ILE A 50 -7.918 -1.090 7.109 1.00 21.21 H new ATOM 0 HG12 ILE A 50 -9.678 -1.190 4.635 1.00 21.21 H new ATOM 0 HG13 ILE A 50 -9.161 0.296 5.407 1.00 21.21 H new ATOM 0 HG21 ILE A 50 -7.688 -3.134 5.744 1.00 13.21 H new ATOM 0 HG22 ILE A 50 -8.481 -3.471 7.301 1.00 13.21 H new ATOM 0 HG23 ILE A 50 -9.450 -3.373 5.812 1.00 13.21 H new ATOM 0 HD11 ILE A 50 -7.749 -0.229 3.481 1.00 4.31 H new ATOM 0 HD12 ILE A 50 -6.800 -0.291 4.986 1.00 4.31 H new ATOM 0 HD13 ILE A 50 -7.326 -1.800 4.202 1.00 4.31 H new ATOM 841 N LYS A 51 -9.026 -1.657 9.576 1.00 3.41 N ATOM 842 CA LYS A 51 -8.798 -2.409 10.815 1.00 10.24 C ATOM 843 C LYS A 51 -9.988 -2.353 11.772 1.00 1.22 C ATOM 844 O LYS A 51 -10.162 -3.246 12.599 1.00 75.24 O ATOM 845 CB LYS A 51 -7.533 -1.936 11.528 1.00 52.11 C ATOM 846 CG LYS A 51 -6.253 -2.162 10.735 1.00 42.13 C ATOM 847 CD LYS A 51 -5.021 -2.029 11.620 1.00 35.32 C ATOM 848 CE LYS A 51 -4.941 -0.659 12.271 1.00 63.14 C ATOM 849 NZ LYS A 51 -3.849 -0.588 13.265 1.00 22.34 N ATOM 0 H LYS A 51 -8.407 -0.857 9.447 1.00 3.41 H new ATOM 0 HA LYS A 51 -8.670 -3.449 10.514 1.00 10.24 H new ATOM 0 HB2 LYS A 51 -7.629 -0.873 11.748 1.00 52.11 H new ATOM 0 HB3 LYS A 51 -7.452 -2.454 12.484 1.00 52.11 H new ATOM 0 HG2 LYS A 51 -6.273 -3.154 10.283 1.00 42.13 H new ATOM 0 HG3 LYS A 51 -6.196 -1.441 9.919 1.00 42.13 H new ATOM 0 HD2 LYS A 51 -5.043 -2.798 12.392 1.00 35.32 H new ATOM 0 HD3 LYS A 51 -4.125 -2.201 11.024 1.00 35.32 H new ATOM 0 HE2 LYS A 51 -4.785 0.100 11.504 1.00 63.14 H new ATOM 0 HE3 LYS A 51 -5.890 -0.431 12.756 1.00 63.14 H new ATOM 0 HZ1 LYS A 51 -3.826 0.362 13.688 1.00 22.34 H new ATOM 0 HZ2 LYS A 51 -4.011 -1.295 14.010 1.00 22.34 H new ATOM 0 HZ3 LYS A 51 -2.940 -0.781 12.797 1.00 22.34 H new ATOM 863 N SER A 52 -10.807 -1.318 11.659 1.00 45.01 N ATOM 864 CA SER A 52 -11.972 -1.185 12.527 1.00 73.10 C ATOM 865 C SER A 52 -13.144 -2.023 12.009 1.00 52.04 C ATOM 866 O SER A 52 -14.202 -2.086 12.636 1.00 1.33 O ATOM 867 CB SER A 52 -12.386 0.280 12.654 1.00 65.31 C ATOM 868 OG SER A 52 -11.301 1.077 13.110 1.00 4.21 O ATOM 0 H SER A 52 -10.690 -0.564 10.982 1.00 45.01 H new ATOM 0 HA SER A 52 -11.696 -1.557 13.514 1.00 73.10 H new ATOM 0 HB2 SER A 52 -12.733 0.649 11.689 1.00 65.31 H new ATOM 0 HB3 SER A 52 -13.223 0.367 13.347 1.00 65.31 H new ATOM 0 HG SER A 52 -10.640 1.172 12.392 1.00 4.21 H new ATOM 874 N GLY A 53 -12.950 -2.664 10.866 1.00 35.10 N ATOM 875 CA GLY A 53 -13.991 -3.490 10.296 1.00 11.22 C ATOM 876 C GLY A 53 -15.074 -2.677 9.623 1.00 74.34 C ATOM 877 O GLY A 53 -16.222 -3.120 9.520 1.00 23.44 O ATOM 0 H GLY A 53 -12.088 -2.626 10.323 1.00 35.10 H new ATOM 0 HA2 GLY A 53 -13.551 -4.174 9.570 1.00 11.22 H new ATOM 0 HA3 GLY A 53 -14.436 -4.102 11.081 1.00 11.22 H new ATOM 881 N GLU A 54 -14.721 -1.484 9.177 1.00 31.41 N ATOM 882 CA GLU A 54 -15.666 -0.618 8.490 1.00 52.13 C ATOM 883 C GLU A 54 -15.546 -0.818 6.992 1.00 0.15 C ATOM 884 O GLU A 54 -16.537 -1.023 6.297 1.00 12.41 O ATOM 885 CB GLU A 54 -15.416 0.848 8.848 1.00 55.35 C ATOM 886 CG GLU A 54 -15.587 1.158 10.324 1.00 32.12 C ATOM 887 CD GLU A 54 -15.380 2.622 10.634 1.00 34.14 C ATOM 888 OE1 GLU A 54 -16.213 3.449 10.208 1.00 55.13 O ATOM 889 OE2 GLU A 54 -14.382 2.960 11.302 1.00 10.54 O ATOM 0 H GLU A 54 -13.785 -1.091 9.278 1.00 31.41 H new ATOM 0 HA GLU A 54 -16.675 -0.879 8.809 1.00 52.13 H new ATOM 0 HB2 GLU A 54 -14.405 1.119 8.545 1.00 55.35 H new ATOM 0 HB3 GLU A 54 -16.099 1.474 8.274 1.00 55.35 H new ATOM 0 HG2 GLU A 54 -16.586 0.860 10.641 1.00 32.12 H new ATOM 0 HG3 GLU A 54 -14.879 0.564 10.901 1.00 32.12 H new ATOM 896 N GLU A 55 -14.326 -0.771 6.508 1.00 35.13 N ATOM 897 CA GLU A 55 -14.047 -0.978 5.103 1.00 63.23 C ATOM 898 C GLU A 55 -13.099 -2.136 4.923 1.00 13.33 C ATOM 899 O GLU A 55 -12.467 -2.588 5.879 1.00 22.41 O ATOM 900 CB GLU A 55 -13.457 0.278 4.468 1.00 34.11 C ATOM 901 CG GLU A 55 -14.495 1.248 3.940 1.00 63.23 C ATOM 902 CD GLU A 55 -15.316 0.650 2.815 1.00 20.34 C ATOM 903 OE1 GLU A 55 -14.726 0.188 1.813 1.00 21.01 O ATOM 904 OE2 GLU A 55 -16.558 0.625 2.931 1.00 1.11 O ATOM 0 H GLU A 55 -13.499 -0.588 7.076 1.00 35.13 H new ATOM 0 HA GLU A 55 -14.989 -1.205 4.604 1.00 63.23 H new ATOM 0 HB2 GLU A 55 -12.839 0.790 5.206 1.00 34.11 H new ATOM 0 HB3 GLU A 55 -12.800 -0.016 3.650 1.00 34.11 H new ATOM 0 HG2 GLU A 55 -15.158 1.546 4.752 1.00 63.23 H new ATOM 0 HG3 GLU A 55 -13.999 2.151 3.585 1.00 63.23 H new ATOM 911 N ASP A 56 -13.003 -2.617 3.707 1.00 25.13 N ATOM 912 CA ASP A 56 -12.116 -3.716 3.395 1.00 45.31 C ATOM 913 C ASP A 56 -10.897 -3.190 2.682 1.00 61.23 C ATOM 914 O ASP A 56 -10.960 -2.142 2.029 1.00 52.01 O ATOM 915 CB ASP A 56 -12.818 -4.762 2.524 1.00 21.21 C ATOM 916 CG ASP A 56 -14.071 -5.316 3.163 1.00 4.12 C ATOM 917 OD1 ASP A 56 -13.984 -5.861 4.285 1.00 54.30 O ATOM 918 OD2 ASP A 56 -15.150 -5.219 2.540 1.00 23.21 O ATOM 0 H ASP A 56 -13.532 -2.262 2.910 1.00 25.13 H new ATOM 0 HA ASP A 56 -11.819 -4.197 4.327 1.00 45.31 H new ATOM 0 HB2 ASP A 56 -13.074 -4.315 1.563 1.00 21.21 H new ATOM 0 HB3 ASP A 56 -12.128 -5.581 2.321 1.00 21.21 H new ATOM 923 N PHE A 57 -9.794 -3.905 2.789 1.00 52.12 N ATOM 924 CA PHE A 57 -8.562 -3.476 2.162 1.00 45.31 C ATOM 925 C PHE A 57 -8.714 -3.486 0.655 1.00 4.03 C ATOM 926 O PHE A 57 -8.467 -2.483 0.001 1.00 54.34 O ATOM 927 CB PHE A 57 -7.387 -4.364 2.580 1.00 34.32 C ATOM 928 CG PHE A 57 -6.043 -3.780 2.232 1.00 31.21 C ATOM 929 CD1 PHE A 57 -5.552 -3.842 0.937 1.00 4.00 C ATOM 930 CD2 PHE A 57 -5.275 -3.163 3.202 1.00 24.41 C ATOM 931 CE1 PHE A 57 -4.325 -3.299 0.621 1.00 41.44 C ATOM 932 CE2 PHE A 57 -4.047 -2.621 2.891 1.00 52.33 C ATOM 933 CZ PHE A 57 -3.572 -2.689 1.599 1.00 73.24 C ATOM 0 H PHE A 57 -9.727 -4.783 3.303 1.00 52.12 H new ATOM 0 HA PHE A 57 -8.350 -2.460 2.494 1.00 45.31 H new ATOM 0 HB2 PHE A 57 -7.434 -4.533 3.656 1.00 34.32 H new ATOM 0 HB3 PHE A 57 -7.488 -5.337 2.099 1.00 34.32 H new ATOM 0 HD1 PHE A 57 -6.138 -4.321 0.167 1.00 4.00 H new ATOM 0 HD2 PHE A 57 -5.642 -3.105 4.216 1.00 24.41 H new ATOM 0 HE1 PHE A 57 -3.955 -3.352 -0.392 1.00 41.44 H new ATOM 0 HE2 PHE A 57 -3.457 -2.143 3.659 1.00 52.33 H new ATOM 0 HZ PHE A 57 -2.610 -2.264 1.354 1.00 73.24 H new ATOM 943 N GLU A 58 -9.149 -4.621 0.114 1.00 13.23 N ATOM 944 CA GLU A 58 -9.347 -4.761 -1.327 1.00 62.02 C ATOM 945 C GLU A 58 -10.357 -3.735 -1.838 1.00 64.04 C ATOM 946 O GLU A 58 -10.253 -3.256 -2.966 1.00 2.21 O ATOM 947 CB GLU A 58 -9.819 -6.174 -1.671 1.00 32.45 C ATOM 948 CG GLU A 58 -8.835 -7.269 -1.287 1.00 3.03 C ATOM 949 CD GLU A 58 -9.367 -8.649 -1.597 1.00 33.52 C ATOM 950 OE1 GLU A 58 -10.130 -9.197 -0.771 1.00 60.43 O ATOM 951 OE2 GLU A 58 -9.051 -9.191 -2.675 1.00 51.34 O ATOM 0 H GLU A 58 -9.372 -5.458 0.652 1.00 13.23 H new ATOM 0 HA GLU A 58 -8.390 -4.581 -1.816 1.00 62.02 H new ATOM 0 HB2 GLU A 58 -10.768 -6.361 -1.168 1.00 32.45 H new ATOM 0 HB3 GLU A 58 -10.009 -6.231 -2.743 1.00 32.45 H new ATOM 0 HG2 GLU A 58 -7.897 -7.115 -1.820 1.00 3.03 H new ATOM 0 HG3 GLU A 58 -8.612 -7.198 -0.222 1.00 3.03 H new ATOM 958 N SER A 59 -11.325 -3.397 -0.993 1.00 32.35 N ATOM 959 CA SER A 59 -12.340 -2.414 -1.337 1.00 61.13 C ATOM 960 C SER A 59 -11.702 -1.034 -1.528 1.00 3.12 C ATOM 961 O SER A 59 -11.872 -0.392 -2.571 1.00 75.33 O ATOM 962 CB SER A 59 -13.418 -2.364 -0.238 1.00 44.35 C ATOM 963 OG SER A 59 -14.427 -1.408 -0.528 1.00 32.21 O ATOM 0 H SER A 59 -11.426 -3.794 -0.059 1.00 32.35 H new ATOM 0 HA SER A 59 -12.811 -2.706 -2.275 1.00 61.13 H new ATOM 0 HB2 SER A 59 -13.872 -3.349 -0.130 1.00 44.35 H new ATOM 0 HB3 SER A 59 -12.952 -2.121 0.717 1.00 44.35 H new ATOM 0 HG SER A 59 -14.556 -0.823 0.248 1.00 32.21 H new ATOM 969 N LEU A 60 -10.941 -0.597 -0.534 1.00 14.13 N ATOM 970 CA LEU A 60 -10.295 0.702 -0.592 1.00 61.14 C ATOM 971 C LEU A 60 -9.141 0.705 -1.583 1.00 2.03 C ATOM 972 O LEU A 60 -8.862 1.716 -2.205 1.00 4.22 O ATOM 973 CB LEU A 60 -9.811 1.136 0.793 1.00 11.44 C ATOM 974 CG LEU A 60 -10.905 1.353 1.842 1.00 23.31 C ATOM 975 CD1 LEU A 60 -10.302 1.828 3.148 1.00 34.12 C ATOM 976 CD2 LEU A 60 -11.940 2.348 1.341 1.00 44.11 C ATOM 0 H LEU A 60 -10.758 -1.124 0.320 1.00 14.13 H new ATOM 0 HA LEU A 60 -11.038 1.420 -0.938 1.00 61.14 H new ATOM 0 HB2 LEU A 60 -9.118 0.382 1.168 1.00 11.44 H new ATOM 0 HB3 LEU A 60 -9.247 2.063 0.686 1.00 11.44 H new ATOM 0 HG LEU A 60 -11.403 0.400 2.018 1.00 23.31 H new ATOM 0 HD11 LEU A 60 -11.094 1.977 3.882 1.00 34.12 H new ATOM 0 HD12 LEU A 60 -9.601 1.080 3.518 1.00 34.12 H new ATOM 0 HD13 LEU A 60 -9.777 2.769 2.985 1.00 34.12 H new ATOM 0 HD21 LEU A 60 -12.708 2.488 2.101 1.00 44.11 H new ATOM 0 HD22 LEU A 60 -11.456 3.303 1.134 1.00 44.11 H new ATOM 0 HD23 LEU A 60 -12.398 1.968 0.428 1.00 44.11 H new ATOM 988 N ALA A 61 -8.488 -0.430 -1.740 1.00 53.11 N ATOM 989 CA ALA A 61 -7.366 -0.540 -2.662 1.00 54.14 C ATOM 990 C ALA A 61 -7.824 -0.453 -4.113 1.00 60.11 C ATOM 991 O ALA A 61 -7.039 -0.147 -4.995 1.00 23.34 O ATOM 992 CB ALA A 61 -6.596 -1.829 -2.423 1.00 70.14 C ATOM 0 H ALA A 61 -8.713 -1.292 -1.242 1.00 53.11 H new ATOM 0 HA ALA A 61 -6.701 0.302 -2.471 1.00 54.14 H new ATOM 0 HB1 ALA A 61 -5.763 -1.890 -3.123 1.00 70.14 H new ATOM 0 HB2 ALA A 61 -6.214 -1.841 -1.402 1.00 70.14 H new ATOM 0 HB3 ALA A 61 -7.258 -2.682 -2.573 1.00 70.14 H new ATOM 998 N SER A 62 -9.097 -0.713 -4.352 1.00 74.05 N ATOM 999 CA SER A 62 -9.637 -0.659 -5.701 1.00 10.04 C ATOM 1000 C SER A 62 -10.128 0.745 -6.060 1.00 25.53 C ATOM 1001 O SER A 62 -10.254 1.085 -7.233 1.00 20.43 O ATOM 1002 CB SER A 62 -10.783 -1.663 -5.860 1.00 35.05 C ATOM 1003 OG SER A 62 -10.341 -2.991 -5.626 1.00 51.32 O ATOM 0 H SER A 62 -9.775 -0.963 -3.633 1.00 74.05 H new ATOM 0 HA SER A 62 -8.829 -0.920 -6.384 1.00 10.04 H new ATOM 0 HB2 SER A 62 -11.585 -1.416 -5.164 1.00 35.05 H new ATOM 0 HB3 SER A 62 -11.199 -1.588 -6.865 1.00 35.05 H new ATOM 0 HG SER A 62 -10.569 -3.255 -4.710 1.00 51.32 H new ATOM 1009 N GLN A 63 -10.410 1.553 -5.052 1.00 21.34 N ATOM 1010 CA GLN A 63 -10.962 2.885 -5.288 1.00 61.13 C ATOM 1011 C GLN A 63 -10.030 4.009 -4.830 1.00 60.41 C ATOM 1012 O GLN A 63 -9.962 5.061 -5.457 1.00 74.32 O ATOM 1013 CB GLN A 63 -12.313 3.017 -4.586 1.00 60.25 C ATOM 1014 CG GLN A 63 -13.371 2.057 -5.108 1.00 2.32 C ATOM 1015 CD GLN A 63 -14.636 2.054 -4.268 1.00 51.40 C ATOM 1016 OE1 GLN A 63 -14.492 2.263 -2.972 1.00 25.34 O flip ATOM 1017 NE2 GLN A 63 -15.734 1.840 -4.784 1.00 43.44 N flip ATOM 0 H GLN A 63 -10.269 1.317 -4.070 1.00 21.34 H new ATOM 0 HA GLN A 63 -11.082 2.991 -6.366 1.00 61.13 H new ATOM 0 HB2 GLN A 63 -12.176 2.846 -3.518 1.00 60.25 H new ATOM 0 HB3 GLN A 63 -12.674 4.039 -4.702 1.00 60.25 H new ATOM 0 HG2 GLN A 63 -13.623 2.326 -6.134 1.00 2.32 H new ATOM 0 HG3 GLN A 63 -12.957 1.049 -5.135 1.00 2.32 H new ATOM 0 HE21 GLN A 63 -15.803 1.683 -5.790 1.00 43.44 H new ATOM 0 HE22 GLN A 63 -16.574 1.820 -4.206 1.00 43.44 H new ATOM 1026 N PHE A 64 -9.317 3.785 -3.749 1.00 45.20 N ATOM 1027 CA PHE A 64 -8.498 4.829 -3.149 1.00 3.13 C ATOM 1028 C PHE A 64 -7.000 4.552 -3.276 1.00 31.52 C ATOM 1029 O PHE A 64 -6.200 5.070 -2.501 1.00 43.33 O ATOM 1030 CB PHE A 64 -8.884 5.007 -1.682 1.00 51.53 C ATOM 1031 CG PHE A 64 -10.296 5.491 -1.483 1.00 31.12 C ATOM 1032 CD1 PHE A 64 -10.581 6.846 -1.465 1.00 71.14 C ATOM 1033 CD2 PHE A 64 -11.336 4.592 -1.316 1.00 72.33 C ATOM 1034 CE1 PHE A 64 -11.874 7.296 -1.284 1.00 14.10 C ATOM 1035 CE2 PHE A 64 -12.633 5.035 -1.133 1.00 52.10 C ATOM 1036 CZ PHE A 64 -12.901 6.389 -1.118 1.00 2.50 C ATOM 0 H PHE A 64 -9.284 2.889 -3.262 1.00 45.20 H new ATOM 0 HA PHE A 64 -8.692 5.751 -3.698 1.00 3.13 H new ATOM 0 HB2 PHE A 64 -8.759 4.056 -1.164 1.00 51.53 H new ATOM 0 HB3 PHE A 64 -8.198 5.715 -1.218 1.00 51.53 H new ATOM 0 HD1 PHE A 64 -9.781 7.560 -1.594 1.00 71.14 H new ATOM 0 HD2 PHE A 64 -11.131 3.532 -1.329 1.00 72.33 H new ATOM 0 HE1 PHE A 64 -12.081 8.356 -1.272 1.00 14.10 H new ATOM 0 HE2 PHE A 64 -13.435 4.323 -1.002 1.00 52.10 H new ATOM 0 HZ PHE A 64 -13.913 6.738 -0.977 1.00 2.50 H new ATOM 1046 N SER A 65 -6.627 3.758 -4.253 1.00 30.44 N ATOM 1047 CA SER A 65 -5.226 3.477 -4.502 1.00 20.44 C ATOM 1048 C SER A 65 -4.841 4.060 -5.854 1.00 72.51 C ATOM 1049 O SER A 65 -5.421 3.705 -6.864 1.00 3.41 O ATOM 1050 CB SER A 65 -4.972 1.967 -4.472 1.00 21.13 C ATOM 1051 OG SER A 65 -3.585 1.661 -4.542 1.00 25.11 O ATOM 0 H SER A 65 -7.273 3.293 -4.891 1.00 30.44 H new ATOM 0 HA SER A 65 -4.615 3.934 -3.723 1.00 20.44 H new ATOM 0 HB2 SER A 65 -5.391 1.547 -3.558 1.00 21.13 H new ATOM 0 HB3 SER A 65 -5.490 1.495 -5.307 1.00 21.13 H new ATOM 0 HG SER A 65 -3.463 0.689 -4.519 1.00 25.11 H new ATOM 1057 N ASP A 66 -3.857 4.950 -5.863 1.00 24.05 N ATOM 1058 CA ASP A 66 -3.432 5.646 -7.091 1.00 72.42 C ATOM 1059 C ASP A 66 -2.545 4.767 -7.961 1.00 35.40 C ATOM 1060 O ASP A 66 -1.879 5.255 -8.878 1.00 32.41 O ATOM 1061 CB ASP A 66 -2.679 6.938 -6.750 1.00 64.34 C ATOM 1062 CG ASP A 66 -3.520 7.932 -5.988 1.00 11.32 C ATOM 1063 OD1 ASP A 66 -4.592 8.316 -6.486 1.00 0.22 O ATOM 1064 OD2 ASP A 66 -3.115 8.331 -4.871 1.00 64.00 O ATOM 0 H ASP A 66 -3.329 5.215 -5.031 1.00 24.05 H new ATOM 0 HA ASP A 66 -4.338 5.885 -7.649 1.00 72.42 H new ATOM 0 HB2 ASP A 66 -1.796 6.692 -6.161 1.00 64.34 H new ATOM 0 HB3 ASP A 66 -2.328 7.401 -7.672 1.00 64.34 H new ATOM 1069 N ASP A 67 -2.541 3.485 -7.682 1.00 60.23 N ATOM 1070 CA ASP A 67 -1.725 2.537 -8.421 1.00 1.43 C ATOM 1071 C ASP A 67 -2.577 1.818 -9.469 1.00 65.32 C ATOM 1072 O ASP A 67 -3.797 1.746 -9.335 1.00 11.42 O ATOM 1073 CB ASP A 67 -1.112 1.522 -7.446 1.00 33.51 C ATOM 1074 CG ASP A 67 -0.031 0.675 -8.073 1.00 62.03 C ATOM 1075 OD1 ASP A 67 -0.358 -0.324 -8.723 1.00 13.32 O ATOM 1076 OD2 ASP A 67 1.155 1.009 -7.912 1.00 52.14 O ATOM 0 H ASP A 67 -3.100 3.065 -6.939 1.00 60.23 H new ATOM 0 HA ASP A 67 -0.924 3.070 -8.932 1.00 1.43 H new ATOM 0 HB2 ASP A 67 -0.697 2.055 -6.590 1.00 33.51 H new ATOM 0 HB3 ASP A 67 -1.900 0.872 -7.065 1.00 33.51 H new ATOM 1081 N SER A 68 -1.940 1.292 -10.507 1.00 62.13 N ATOM 1082 CA SER A 68 -2.648 0.563 -11.554 1.00 12.15 C ATOM 1083 C SER A 68 -3.196 -0.763 -11.013 1.00 22.23 C ATOM 1084 O SER A 68 -4.152 -1.326 -11.548 1.00 20.41 O ATOM 1085 CB SER A 68 -1.714 0.324 -12.739 1.00 23.24 C ATOM 1086 OG SER A 68 -0.448 -0.141 -12.300 1.00 12.13 O ATOM 0 H SER A 68 -0.932 1.356 -10.648 1.00 62.13 H new ATOM 0 HA SER A 68 -3.495 1.160 -11.892 1.00 12.15 H new ATOM 0 HB2 SER A 68 -2.159 -0.405 -13.416 1.00 23.24 H new ATOM 0 HB3 SER A 68 -1.591 1.249 -13.302 1.00 23.24 H new ATOM 0 HG SER A 68 0.133 -0.289 -13.075 1.00 12.13 H new ATOM 1092 N SER A 69 -2.589 -1.233 -9.935 1.00 72.21 N ATOM 1093 CA SER A 69 -2.989 -2.459 -9.269 1.00 15.33 C ATOM 1094 C SER A 69 -4.360 -2.295 -8.595 1.00 73.15 C ATOM 1095 O SER A 69 -4.973 -3.279 -8.173 1.00 14.02 O ATOM 1096 CB SER A 69 -1.918 -2.840 -8.235 1.00 23.21 C ATOM 1097 OG SER A 69 -2.238 -4.030 -7.531 1.00 52.14 O ATOM 0 H SER A 69 -1.796 -0.767 -9.494 1.00 72.21 H new ATOM 0 HA SER A 69 -3.080 -3.255 -10.008 1.00 15.33 H new ATOM 0 HB2 SER A 69 -0.960 -2.967 -8.739 1.00 23.21 H new ATOM 0 HB3 SER A 69 -1.798 -2.023 -7.524 1.00 23.21 H new ATOM 0 HG SER A 69 -1.548 -4.208 -6.858 1.00 52.14 H new ATOM 1103 N ALA A 70 -4.828 -1.047 -8.501 1.00 41.24 N ATOM 1104 CA ALA A 70 -6.109 -0.731 -7.868 1.00 64.43 C ATOM 1105 C ALA A 70 -7.259 -1.502 -8.503 1.00 71.54 C ATOM 1106 O ALA A 70 -8.071 -2.103 -7.809 1.00 61.14 O ATOM 1107 CB ALA A 70 -6.383 0.762 -7.950 1.00 50.21 C ATOM 0 H ALA A 70 -4.331 -0.232 -8.860 1.00 41.24 H new ATOM 0 HA ALA A 70 -6.040 -1.032 -6.823 1.00 64.43 H new ATOM 0 HB1 ALA A 70 -7.339 0.983 -7.475 1.00 50.21 H new ATOM 0 HB2 ALA A 70 -5.589 1.306 -7.438 1.00 50.21 H new ATOM 0 HB3 ALA A 70 -6.417 1.069 -8.995 1.00 50.21 H new ATOM 1113 N LYS A 71 -7.307 -1.510 -9.827 1.00 35.32 N ATOM 1114 CA LYS A 71 -8.384 -2.186 -10.545 1.00 20.43 C ATOM 1115 C LYS A 71 -8.264 -3.707 -10.447 1.00 14.54 C ATOM 1116 O LYS A 71 -9.114 -4.442 -10.941 1.00 11.55 O ATOM 1117 CB LYS A 71 -8.439 -1.716 -12.012 1.00 20.25 C ATOM 1118 CG LYS A 71 -7.136 -1.884 -12.806 1.00 13.02 C ATOM 1119 CD LYS A 71 -6.905 -3.325 -13.265 1.00 30.03 C ATOM 1120 CE LYS A 71 -7.999 -3.800 -14.217 1.00 3.32 C ATOM 1121 NZ LYS A 71 -8.124 -2.919 -15.408 1.00 32.54 N ATOM 0 H LYS A 71 -6.616 -1.058 -10.427 1.00 35.32 H new ATOM 0 HA LYS A 71 -9.325 -1.912 -10.068 1.00 20.43 H new ATOM 0 HB2 LYS A 71 -9.229 -2.266 -12.523 1.00 20.25 H new ATOM 0 HB3 LYS A 71 -8.721 -0.663 -12.028 1.00 20.25 H new ATOM 0 HG2 LYS A 71 -7.159 -1.229 -13.677 1.00 13.02 H new ATOM 0 HG3 LYS A 71 -6.296 -1.565 -12.189 1.00 13.02 H new ATOM 0 HD2 LYS A 71 -5.936 -3.398 -13.759 1.00 30.03 H new ATOM 0 HD3 LYS A 71 -6.869 -3.982 -12.396 1.00 30.03 H new ATOM 0 HE2 LYS A 71 -7.781 -4.818 -14.541 1.00 3.32 H new ATOM 0 HE3 LYS A 71 -8.951 -3.831 -13.688 1.00 3.32 H new ATOM 0 HZ1 LYS A 71 -8.726 -3.380 -16.119 1.00 32.54 H new ATOM 0 HZ2 LYS A 71 -8.552 -2.014 -15.127 1.00 32.54 H new ATOM 0 HZ3 LYS A 71 -7.182 -2.746 -15.812 1.00 32.54 H new ATOM 1135 N ALA A 72 -7.207 -4.162 -9.806 1.00 2.22 N ATOM 1136 CA ALA A 72 -6.965 -5.574 -9.620 1.00 75.21 C ATOM 1137 C ALA A 72 -7.116 -5.936 -8.143 1.00 33.05 C ATOM 1138 O ALA A 72 -6.517 -6.902 -7.662 1.00 21.31 O ATOM 1139 CB ALA A 72 -5.577 -5.930 -10.128 1.00 33.23 C ATOM 0 H ALA A 72 -6.491 -3.560 -9.399 1.00 2.22 H new ATOM 0 HA ALA A 72 -7.697 -6.147 -10.190 1.00 75.21 H new ATOM 0 HB1 ALA A 72 -5.400 -6.996 -9.985 1.00 33.23 H new ATOM 0 HB2 ALA A 72 -5.505 -5.689 -11.189 1.00 33.23 H new ATOM 0 HB3 ALA A 72 -4.830 -5.361 -9.575 1.00 33.23 H new ATOM 1145 N ARG A 73 -7.913 -5.119 -7.431 1.00 53.42 N ATOM 1146 CA ARG A 73 -8.229 -5.309 -5.999 1.00 12.11 C ATOM 1147 C ARG A 73 -7.066 -4.934 -5.085 1.00 0.44 C ATOM 1148 O ARG A 73 -7.198 -4.956 -3.864 1.00 14.13 O ATOM 1149 CB ARG A 73 -8.719 -6.737 -5.708 1.00 23.45 C ATOM 1150 CG ARG A 73 -10.024 -7.081 -6.406 1.00 22.44 C ATOM 1151 CD ARG A 73 -10.488 -8.493 -6.087 1.00 51.54 C ATOM 1152 NE ARG A 73 -10.796 -8.674 -4.664 1.00 25.32 N ATOM 1153 CZ ARG A 73 -12.027 -8.605 -4.141 1.00 12.21 C ATOM 1154 NH1 ARG A 73 -13.058 -8.239 -4.896 1.00 13.34 N ATOM 1155 NH2 ARG A 73 -12.219 -8.874 -2.852 1.00 2.12 N ATOM 0 H ARG A 73 -8.362 -4.298 -7.836 1.00 53.42 H new ATOM 0 HA ARG A 73 -9.044 -4.621 -5.775 1.00 12.11 H new ATOM 0 HB2 ARG A 73 -7.952 -7.447 -6.018 1.00 23.45 H new ATOM 0 HB3 ARG A 73 -8.848 -6.857 -4.632 1.00 23.45 H new ATOM 0 HG2 ARG A 73 -10.794 -6.370 -6.105 1.00 22.44 H new ATOM 0 HG3 ARG A 73 -9.897 -6.976 -7.483 1.00 22.44 H new ATOM 0 HD2 ARG A 73 -11.373 -8.724 -6.679 1.00 51.54 H new ATOM 0 HD3 ARG A 73 -9.714 -9.202 -6.381 1.00 51.54 H new ATOM 0 HE ARG A 73 -10.020 -8.865 -4.030 1.00 25.32 H new ATOM 0 HH11 ARG A 73 -12.914 -8.009 -5.879 1.00 13.34 H new ATOM 0 HH12 ARG A 73 -13.993 -8.188 -4.492 1.00 13.34 H new ATOM 0 HH21 ARG A 73 -11.428 -9.133 -2.262 1.00 2.12 H new ATOM 0 HH22 ARG A 73 -13.157 -8.821 -2.454 1.00 2.12 H new ATOM 1169 N GLY A 74 -5.932 -4.594 -5.679 1.00 3.45 N ATOM 1170 CA GLY A 74 -4.774 -4.185 -4.905 1.00 23.14 C ATOM 1171 C GLY A 74 -4.070 -5.339 -4.207 1.00 12.23 C ATOM 1172 O GLY A 74 -3.035 -5.142 -3.570 1.00 3.31 O ATOM 0 H GLY A 74 -5.791 -4.594 -6.689 1.00 3.45 H new ATOM 0 HA2 GLY A 74 -4.065 -3.683 -5.564 1.00 23.14 H new ATOM 0 HA3 GLY A 74 -5.086 -3.455 -4.158 1.00 23.14 H new ATOM 1176 N ASP A 75 -4.618 -6.535 -4.321 1.00 43.20 N ATOM 1177 CA ASP A 75 -4.022 -7.699 -3.681 1.00 55.23 C ATOM 1178 C ASP A 75 -3.009 -8.362 -4.593 1.00 33.53 C ATOM 1179 O ASP A 75 -3.256 -8.544 -5.789 1.00 34.20 O ATOM 1180 CB ASP A 75 -5.089 -8.705 -3.258 1.00 31.33 C ATOM 1181 CG ASP A 75 -4.489 -9.947 -2.624 1.00 74.40 C ATOM 1182 OD1 ASP A 75 -3.706 -9.809 -1.662 1.00 61.23 O ATOM 1183 OD2 ASP A 75 -4.797 -11.067 -3.095 1.00 64.12 O ATOM 0 H ASP A 75 -5.470 -6.728 -4.847 1.00 43.20 H new ATOM 0 HA ASP A 75 -3.506 -7.351 -2.786 1.00 55.23 H new ATOM 0 HB2 ASP A 75 -5.771 -8.232 -2.552 1.00 31.33 H new ATOM 0 HB3 ASP A 75 -5.680 -8.993 -4.128 1.00 31.33 H new ATOM 1188 N LEU A 76 -1.875 -8.711 -4.037 1.00 30.51 N ATOM 1189 CA LEU A 76 -0.821 -9.347 -4.790 1.00 22.32 C ATOM 1190 C LEU A 76 -0.754 -10.823 -4.470 1.00 10.43 C ATOM 1191 O LEU A 76 -1.456 -11.316 -3.585 1.00 72.41 O ATOM 1192 CB LEU A 76 0.531 -8.691 -4.503 1.00 43.55 C ATOM 1193 CG LEU A 76 0.677 -7.238 -4.946 1.00 63.43 C ATOM 1194 CD1 LEU A 76 2.022 -6.685 -4.508 1.00 2.03 C ATOM 1195 CD2 LEU A 76 0.520 -7.121 -6.457 1.00 71.10 C ATOM 0 H LEU A 76 -1.656 -8.563 -3.052 1.00 30.51 H new ATOM 0 HA LEU A 76 -1.048 -9.224 -5.849 1.00 22.32 H new ATOM 0 HB2 LEU A 76 0.718 -8.744 -3.430 1.00 43.55 H new ATOM 0 HB3 LEU A 76 1.309 -9.279 -4.991 1.00 43.55 H new ATOM 0 HG LEU A 76 -0.111 -6.652 -4.472 1.00 63.43 H new ATOM 0 HD11 LEU A 76 2.112 -5.648 -4.831 1.00 2.03 H new ATOM 0 HD12 LEU A 76 2.100 -6.735 -3.422 1.00 2.03 H new ATOM 0 HD13 LEU A 76 2.821 -7.275 -4.956 1.00 2.03 H new ATOM 0 HD21 LEU A 76 0.627 -6.078 -6.754 1.00 71.10 H new ATOM 0 HD22 LEU A 76 1.286 -7.719 -6.950 1.00 71.10 H new ATOM 0 HD23 LEU A 76 -0.466 -7.482 -6.749 1.00 71.10 H new ATOM 1207 N GLY A 77 0.061 -11.523 -5.210 1.00 73.33 N ATOM 1208 CA GLY A 77 0.251 -12.928 -4.977 1.00 5.34 C ATOM 1209 C GLY A 77 1.522 -13.179 -4.216 1.00 5.14 C ATOM 1210 O GLY A 77 2.029 -12.281 -3.545 1.00 73.31 O ATOM 0 H GLY A 77 0.606 -11.141 -5.983 1.00 73.33 H new ATOM 0 HA2 GLY A 77 -0.596 -13.326 -4.419 1.00 5.34 H new ATOM 0 HA3 GLY A 77 0.282 -13.458 -5.929 1.00 5.34 H new ATOM 1214 N ALA A 78 2.044 -14.382 -4.311 1.00 62.25 N ATOM 1215 CA ALA A 78 3.276 -14.715 -3.634 1.00 24.23 C ATOM 1216 C ALA A 78 4.470 -14.296 -4.477 1.00 70.31 C ATOM 1217 O ALA A 78 4.748 -14.887 -5.522 1.00 44.41 O ATOM 1218 CB ALA A 78 3.324 -16.197 -3.326 1.00 45.21 C ATOM 0 H ALA A 78 1.634 -15.145 -4.850 1.00 62.25 H new ATOM 0 HA ALA A 78 3.317 -14.171 -2.690 1.00 24.23 H new ATOM 0 HB1 ALA A 78 4.258 -16.433 -2.816 1.00 45.21 H new ATOM 0 HB2 ALA A 78 2.483 -16.463 -2.685 1.00 45.21 H new ATOM 0 HB3 ALA A 78 3.265 -16.764 -4.255 1.00 45.21 H new ATOM 1224 N PHE A 79 5.170 -13.284 -4.019 1.00 41.41 N ATOM 1225 CA PHE A 79 6.312 -12.743 -4.738 1.00 4.14 C ATOM 1226 C PHE A 79 7.574 -12.835 -3.897 1.00 42.34 C ATOM 1227 O PHE A 79 7.517 -13.143 -2.705 1.00 74.12 O ATOM 1228 CB PHE A 79 6.046 -11.279 -5.122 1.00 15.15 C ATOM 1229 CG PHE A 79 5.672 -10.408 -3.951 1.00 61.25 C ATOM 1230 CD1 PHE A 79 6.648 -9.871 -3.124 1.00 35.02 C ATOM 1231 CD2 PHE A 79 4.343 -10.135 -3.672 1.00 22.44 C ATOM 1232 CE1 PHE A 79 6.305 -9.084 -2.045 1.00 22.43 C ATOM 1233 CE2 PHE A 79 3.996 -9.347 -2.596 1.00 22.14 C ATOM 1234 CZ PHE A 79 4.978 -8.822 -1.782 1.00 32.05 C ATOM 0 H PHE A 79 4.968 -12.809 -3.139 1.00 41.41 H new ATOM 0 HA PHE A 79 6.457 -13.333 -5.643 1.00 4.14 H new ATOM 0 HB2 PHE A 79 6.936 -10.870 -5.599 1.00 15.15 H new ATOM 0 HB3 PHE A 79 5.245 -11.245 -5.860 1.00 15.15 H new ATOM 0 HD1 PHE A 79 7.689 -10.072 -3.328 1.00 35.02 H new ATOM 0 HD2 PHE A 79 3.570 -10.544 -4.305 1.00 22.44 H new ATOM 0 HE1 PHE A 79 7.074 -8.674 -1.408 1.00 22.43 H new ATOM 0 HE2 PHE A 79 2.956 -9.141 -2.390 1.00 22.14 H new ATOM 0 HZ PHE A 79 4.707 -8.205 -0.938 1.00 32.05 H new ATOM 1244 N SER A 80 8.705 -12.559 -4.516 1.00 11.11 N ATOM 1245 CA SER A 80 9.971 -12.582 -3.824 1.00 42.01 C ATOM 1246 C SER A 80 10.392 -11.163 -3.452 1.00 12.22 C ATOM 1247 O SER A 80 9.912 -10.186 -4.039 1.00 31.11 O ATOM 1248 CB SER A 80 11.043 -13.254 -4.689 1.00 11.04 C ATOM 1249 OG SER A 80 12.292 -13.301 -4.018 1.00 21.42 O ATOM 0 H SER A 80 8.769 -12.315 -5.504 1.00 11.11 H new ATOM 0 HA SER A 80 9.859 -13.162 -2.908 1.00 42.01 H new ATOM 0 HB2 SER A 80 10.726 -14.265 -4.944 1.00 11.04 H new ATOM 0 HB3 SER A 80 11.152 -12.708 -5.626 1.00 11.04 H new ATOM 0 HG SER A 80 12.956 -13.736 -4.593 1.00 21.42 H new ATOM 1255 N ARG A 81 11.292 -11.057 -2.493 1.00 12.34 N ATOM 1256 CA ARG A 81 11.764 -9.768 -2.005 1.00 74.24 C ATOM 1257 C ARG A 81 12.509 -8.979 -3.087 1.00 22.41 C ATOM 1258 O ARG A 81 12.468 -7.747 -3.105 1.00 52.02 O ATOM 1259 CB ARG A 81 12.653 -9.960 -0.777 1.00 61.23 C ATOM 1260 CG ARG A 81 13.818 -10.907 -0.988 1.00 20.44 C ATOM 1261 CD ARG A 81 14.659 -11.026 0.267 1.00 3.25 C ATOM 1262 NE ARG A 81 15.811 -11.902 0.074 1.00 23.40 N ATOM 1263 CZ ARG A 81 16.748 -12.122 0.999 1.00 52.34 C ATOM 1264 NH1 ARG A 81 16.666 -11.536 2.189 1.00 61.04 N ATOM 1265 NH2 ARG A 81 17.762 -12.931 0.732 1.00 51.54 N ATOM 0 H ARG A 81 11.718 -11.859 -2.029 1.00 12.34 H new ATOM 0 HA ARG A 81 10.887 -9.184 -1.725 1.00 74.24 H new ATOM 0 HB2 ARG A 81 13.041 -8.989 -0.469 1.00 61.23 H new ATOM 0 HB3 ARG A 81 12.041 -10.333 0.044 1.00 61.23 H new ATOM 0 HG2 ARG A 81 13.444 -11.890 -1.273 1.00 20.44 H new ATOM 0 HG3 ARG A 81 14.436 -10.550 -1.811 1.00 20.44 H new ATOM 0 HD2 ARG A 81 15.003 -10.036 0.568 1.00 3.25 H new ATOM 0 HD3 ARG A 81 14.044 -11.411 1.080 1.00 3.25 H new ATOM 0 HE ARG A 81 15.906 -12.376 -0.824 1.00 23.40 H new ATOM 0 HH11 ARG A 81 15.885 -10.915 2.399 1.00 61.04 H new ATOM 0 HH12 ARG A 81 17.384 -11.707 2.892 1.00 61.04 H new ATOM 0 HH21 ARG A 81 17.826 -13.385 -0.179 1.00 51.54 H new ATOM 0 HH22 ARG A 81 18.479 -13.100 1.438 1.00 51.54 H new ATOM 1279 N GLY A 82 13.165 -9.687 -4.000 1.00 63.24 N ATOM 1280 CA GLY A 82 13.917 -9.024 -5.054 1.00 50.35 C ATOM 1281 C GLY A 82 13.024 -8.469 -6.146 1.00 54.42 C ATOM 1282 O GLY A 82 13.499 -7.840 -7.090 1.00 21.00 O ATOM 0 H GLY A 82 13.191 -10.706 -4.031 1.00 63.24 H new ATOM 0 HA2 GLY A 82 14.503 -8.213 -4.622 1.00 50.35 H new ATOM 0 HA3 GLY A 82 14.623 -9.730 -5.491 1.00 50.35 H new ATOM 1286 N GLN A 83 11.731 -8.696 -6.012 1.00 3.30 N ATOM 1287 CA GLN A 83 10.766 -8.233 -6.990 1.00 14.54 C ATOM 1288 C GLN A 83 10.057 -6.979 -6.501 1.00 5.31 C ATOM 1289 O GLN A 83 9.194 -6.440 -7.186 1.00 2.14 O ATOM 1290 CB GLN A 83 9.744 -9.332 -7.274 1.00 60.25 C ATOM 1291 CG GLN A 83 10.343 -10.573 -7.911 1.00 32.23 C ATOM 1292 CD GLN A 83 9.368 -11.730 -7.973 1.00 72.12 C ATOM 1293 OE1 GLN A 83 8.158 -11.538 -8.046 1.00 55.44 O ATOM 1294 NE2 GLN A 83 9.891 -12.937 -7.939 1.00 35.50 N ATOM 0 H GLN A 83 11.322 -9.203 -5.227 1.00 3.30 H new ATOM 0 HA GLN A 83 11.299 -7.990 -7.909 1.00 14.54 H new ATOM 0 HB2 GLN A 83 9.257 -9.613 -6.340 1.00 60.25 H new ATOM 0 HB3 GLN A 83 8.970 -8.935 -7.931 1.00 60.25 H new ATOM 0 HG2 GLN A 83 10.678 -10.332 -8.920 1.00 32.23 H new ATOM 0 HG3 GLN A 83 11.224 -10.876 -7.346 1.00 32.23 H new ATOM 0 HE21 GLN A 83 10.903 -13.053 -7.878 1.00 35.50 H new ATOM 0 HE22 GLN A 83 9.285 -13.757 -7.974 1.00 35.50 H new ATOM 1303 N MET A 84 10.429 -6.512 -5.319 1.00 62.41 N ATOM 1304 CA MET A 84 9.792 -5.341 -4.732 1.00 1.22 C ATOM 1305 C MET A 84 10.824 -4.376 -4.175 1.00 23.40 C ATOM 1306 O MET A 84 12.024 -4.670 -4.163 1.00 21.33 O ATOM 1307 CB MET A 84 8.817 -5.758 -3.625 1.00 41.32 C ATOM 1308 CG MET A 84 7.659 -6.614 -4.112 1.00 32.13 C ATOM 1309 SD MET A 84 6.591 -5.747 -5.276 1.00 2.21 S ATOM 1310 CE MET A 84 5.507 -7.076 -5.788 1.00 44.23 C ATOM 0 H MET A 84 11.167 -6.924 -4.748 1.00 62.41 H new ATOM 0 HA MET A 84 9.238 -4.834 -5.522 1.00 1.22 H new ATOM 0 HB2 MET A 84 9.365 -6.308 -2.860 1.00 41.32 H new ATOM 0 HB3 MET A 84 8.418 -4.862 -3.149 1.00 41.32 H new ATOM 0 HG2 MET A 84 8.052 -7.513 -4.587 1.00 32.13 H new ATOM 0 HG3 MET A 84 7.068 -6.938 -3.256 1.00 32.13 H new ATOM 0 HE1 MET A 84 4.662 -6.664 -6.339 1.00 44.23 H new ATOM 0 HE2 MET A 84 6.056 -7.767 -6.428 1.00 44.23 H new ATOM 0 HE3 MET A 84 5.143 -7.607 -4.909 1.00 44.23 H new ATOM 1320 N GLN A 85 10.351 -3.226 -3.715 1.00 12.03 N ATOM 1321 CA GLN A 85 11.216 -2.207 -3.133 1.00 31.34 C ATOM 1322 C GLN A 85 11.674 -2.646 -1.744 1.00 43.11 C ATOM 1323 O GLN A 85 10.973 -3.396 -1.070 1.00 34.55 O ATOM 1324 CB GLN A 85 10.462 -0.874 -3.032 1.00 15.24 C ATOM 1325 CG GLN A 85 9.848 -0.407 -4.347 1.00 1.22 C ATOM 1326 CD GLN A 85 10.882 -0.100 -5.416 1.00 51.42 C ATOM 1327 OE1 GLN A 85 12.031 0.395 -5.007 1.00 74.43 O flip ATOM 1328 NE2 GLN A 85 10.633 -0.287 -6.605 1.00 12.21 N flip ATOM 0 H GLN A 85 9.363 -2.973 -3.734 1.00 12.03 H new ATOM 0 HA GLN A 85 12.088 -2.076 -3.773 1.00 31.34 H new ATOM 0 HB2 GLN A 85 9.671 -0.971 -2.288 1.00 15.24 H new ATOM 0 HB3 GLN A 85 11.147 -0.107 -2.670 1.00 15.24 H new ATOM 0 HG2 GLN A 85 9.170 -1.176 -4.717 1.00 1.22 H new ATOM 0 HG3 GLN A 85 9.249 0.485 -4.164 1.00 1.22 H new ATOM 0 HE21 GLN A 85 9.730 -0.673 -6.883 1.00 12.21 H new ATOM 0 HE22 GLN A 85 11.329 -0.057 -7.314 1.00 12.21 H new ATOM 1337 N LYS A 86 12.837 -2.171 -1.318 1.00 1.30 N ATOM 1338 CA LYS A 86 13.383 -2.525 -0.003 1.00 73.13 C ATOM 1339 C LYS A 86 12.422 -2.171 1.159 1.00 62.23 C ATOM 1340 O LYS A 86 12.190 -3.009 2.033 1.00 74.31 O ATOM 1341 CB LYS A 86 14.769 -1.901 0.217 1.00 51.01 C ATOM 1342 CG LYS A 86 15.841 -2.448 -0.715 1.00 20.32 C ATOM 1343 CD LYS A 86 17.213 -1.851 -0.414 1.00 33.42 C ATOM 1344 CE LYS A 86 17.700 -2.213 0.988 1.00 51.14 C ATOM 1345 NZ LYS A 86 17.794 -3.683 1.193 1.00 54.42 N ATOM 0 H LYS A 86 13.425 -1.539 -1.860 1.00 1.30 H new ATOM 0 HA LYS A 86 13.495 -3.609 0.000 1.00 73.13 H new ATOM 0 HB2 LYS A 86 14.698 -0.822 0.081 1.00 51.01 H new ATOM 0 HB3 LYS A 86 15.075 -2.072 1.249 1.00 51.01 H new ATOM 0 HG2 LYS A 86 15.888 -3.533 -0.618 1.00 20.32 H new ATOM 0 HG3 LYS A 86 15.569 -2.231 -1.748 1.00 20.32 H new ATOM 0 HD2 LYS A 86 17.933 -2.207 -1.151 1.00 33.42 H new ATOM 0 HD3 LYS A 86 17.166 -0.766 -0.513 1.00 33.42 H new ATOM 0 HE2 LYS A 86 18.678 -1.762 1.158 1.00 51.14 H new ATOM 0 HE3 LYS A 86 17.020 -1.788 1.727 1.00 51.14 H new ATOM 0 HZ1 LYS A 86 18.314 -3.878 2.072 1.00 54.42 H new ATOM 0 HZ2 LYS A 86 16.838 -4.086 1.260 1.00 54.42 H new ATOM 0 HZ3 LYS A 86 18.296 -4.114 0.391 1.00 54.42 H new ATOM 1359 N PRO A 87 11.847 -0.929 1.203 1.00 25.04 N ATOM 1360 CA PRO A 87 10.875 -0.562 2.246 1.00 13.15 C ATOM 1361 C PRO A 87 9.644 -1.467 2.207 1.00 14.13 C ATOM 1362 O PRO A 87 9.094 -1.841 3.244 1.00 10.24 O ATOM 1363 CB PRO A 87 10.484 0.880 1.890 1.00 35.23 C ATOM 1364 CG PRO A 87 11.612 1.387 1.062 1.00 23.12 C ATOM 1365 CD PRO A 87 12.116 0.207 0.290 1.00 53.10 C ATOM 0 HA PRO A 87 11.290 -0.663 3.249 1.00 13.15 H new ATOM 0 HB2 PRO A 87 9.544 0.910 1.339 1.00 35.23 H new ATOM 0 HB3 PRO A 87 10.348 1.486 2.786 1.00 35.23 H new ATOM 0 HG2 PRO A 87 11.279 2.179 0.392 1.00 23.12 H new ATOM 0 HG3 PRO A 87 12.398 1.809 1.689 1.00 23.12 H new ATOM 0 HD2 PRO A 87 11.594 0.093 -0.660 1.00 53.10 H new ATOM 0 HD3 PRO A 87 13.178 0.298 0.061 1.00 53.10 H new ATOM 1373 N PHE A 88 9.235 -1.827 0.997 1.00 4.42 N ATOM 1374 CA PHE A 88 8.086 -2.696 0.791 1.00 51.12 C ATOM 1375 C PHE A 88 8.411 -4.105 1.298 1.00 64.43 C ATOM 1376 O PHE A 88 7.567 -4.784 1.894 1.00 41.23 O ATOM 1377 CB PHE A 88 7.737 -2.729 -0.706 1.00 34.53 C ATOM 1378 CG PHE A 88 6.413 -3.362 -1.030 1.00 65.32 C ATOM 1379 CD1 PHE A 88 6.307 -4.728 -1.226 1.00 73.33 C ATOM 1380 CD2 PHE A 88 5.275 -2.583 -1.149 1.00 65.24 C ATOM 1381 CE1 PHE A 88 5.093 -5.305 -1.533 1.00 22.02 C ATOM 1382 CE2 PHE A 88 4.057 -3.156 -1.456 1.00 70.14 C ATOM 1383 CZ PHE A 88 3.967 -4.519 -1.648 1.00 11.01 C ATOM 0 H PHE A 88 9.689 -1.526 0.135 1.00 4.42 H new ATOM 0 HA PHE A 88 7.228 -2.315 1.346 1.00 51.12 H new ATOM 0 HB2 PHE A 88 7.739 -1.708 -1.088 1.00 34.53 H new ATOM 0 HB3 PHE A 88 8.522 -3.269 -1.236 1.00 34.53 H new ATOM 0 HD1 PHE A 88 7.186 -5.349 -1.137 1.00 73.33 H new ATOM 0 HD2 PHE A 88 5.341 -1.515 -1.000 1.00 65.24 H new ATOM 0 HE1 PHE A 88 5.025 -6.372 -1.683 1.00 22.02 H new ATOM 0 HE2 PHE A 88 3.176 -2.538 -1.546 1.00 70.14 H new ATOM 0 HZ PHE A 88 3.015 -4.970 -1.888 1.00 11.01 H new ATOM 1393 N GLU A 89 9.648 -4.517 1.060 1.00 11.34 N ATOM 1394 CA GLU A 89 10.154 -5.815 1.484 1.00 65.20 C ATOM 1395 C GLU A 89 10.155 -5.931 3.005 1.00 1.21 C ATOM 1396 O GLU A 89 9.531 -6.834 3.570 1.00 2.11 O ATOM 1397 CB GLU A 89 11.579 -6.000 0.959 1.00 41.24 C ATOM 1398 CG GLU A 89 12.251 -7.284 1.408 1.00 71.42 C ATOM 1399 CD GLU A 89 13.734 -7.291 1.114 1.00 11.33 C ATOM 1400 OE1 GLU A 89 14.120 -6.991 -0.033 1.00 14.40 O ATOM 1401 OE2 GLU A 89 14.526 -7.597 2.032 1.00 3.35 O ATOM 0 H GLU A 89 10.336 -3.953 0.561 1.00 11.34 H new ATOM 0 HA GLU A 89 9.502 -6.589 1.079 1.00 65.20 H new ATOM 0 HB2 GLU A 89 11.557 -5.977 -0.131 1.00 41.24 H new ATOM 0 HB3 GLU A 89 12.185 -5.154 1.283 1.00 41.24 H new ATOM 0 HG2 GLU A 89 12.095 -7.418 2.478 1.00 71.42 H new ATOM 0 HG3 GLU A 89 11.780 -8.131 0.909 1.00 71.42 H new ATOM 1408 N ASP A 90 10.848 -4.997 3.657 1.00 21.25 N ATOM 1409 CA ASP A 90 10.986 -4.997 5.117 1.00 21.43 C ATOM 1410 C ASP A 90 9.632 -5.069 5.803 1.00 13.42 C ATOM 1411 O ASP A 90 9.471 -5.760 6.810 1.00 73.24 O ATOM 1412 CB ASP A 90 11.748 -3.753 5.591 1.00 44.20 C ATOM 1413 CG ASP A 90 11.910 -3.710 7.102 1.00 32.53 C ATOM 1414 OD1 ASP A 90 12.835 -4.376 7.627 1.00 3.32 O ATOM 1415 OD2 ASP A 90 11.114 -3.021 7.775 1.00 43.53 O ATOM 0 H ASP A 90 11.327 -4.224 3.194 1.00 21.25 H new ATOM 0 HA ASP A 90 11.554 -5.886 5.391 1.00 21.43 H new ATOM 0 HB2 ASP A 90 12.732 -3.733 5.123 1.00 44.20 H new ATOM 0 HB3 ASP A 90 11.219 -2.859 5.260 1.00 44.20 H new ATOM 1420 N ALA A 91 8.663 -4.369 5.251 1.00 23.22 N ATOM 1421 CA ALA A 91 7.326 -4.352 5.807 1.00 30.23 C ATOM 1422 C ALA A 91 6.618 -5.694 5.609 1.00 32.32 C ATOM 1423 O ALA A 91 6.192 -6.322 6.574 1.00 54.44 O ATOM 1424 CB ALA A 91 6.518 -3.227 5.188 1.00 31.32 C ATOM 0 H ALA A 91 8.778 -3.801 4.412 1.00 23.22 H new ATOM 0 HA ALA A 91 7.410 -4.181 6.880 1.00 30.23 H new ATOM 0 HB1 ALA A 91 5.514 -3.223 5.613 1.00 31.32 H new ATOM 0 HB2 ALA A 91 7.004 -2.273 5.396 1.00 31.32 H new ATOM 0 HB3 ALA A 91 6.455 -3.375 4.110 1.00 31.32 H new ATOM 1430 N SER A 92 6.532 -6.138 4.361 1.00 23.23 N ATOM 1431 CA SER A 92 5.816 -7.370 4.013 1.00 13.21 C ATOM 1432 C SER A 92 6.394 -8.614 4.708 1.00 41.23 C ATOM 1433 O SER A 92 5.649 -9.526 5.087 1.00 75.22 O ATOM 1434 CB SER A 92 5.825 -7.568 2.497 1.00 43.11 C ATOM 1435 OG SER A 92 5.258 -6.448 1.839 1.00 3.42 O ATOM 0 H SER A 92 6.952 -5.662 3.563 1.00 23.23 H new ATOM 0 HA SER A 92 4.792 -7.254 4.369 1.00 13.21 H new ATOM 0 HB2 SER A 92 6.848 -7.719 2.152 1.00 43.11 H new ATOM 0 HB3 SER A 92 5.266 -8.468 2.240 1.00 43.11 H new ATOM 0 HG SER A 92 4.400 -6.703 1.439 1.00 3.42 H new ATOM 1441 N PHE A 93 7.707 -8.649 4.878 1.00 55.20 N ATOM 1442 CA PHE A 93 8.365 -9.804 5.486 1.00 31.15 C ATOM 1443 C PHE A 93 8.351 -9.751 7.017 1.00 51.51 C ATOM 1444 O PHE A 93 8.595 -10.762 7.679 1.00 31.02 O ATOM 1445 CB PHE A 93 9.799 -9.947 4.972 1.00 64.44 C ATOM 1446 CG PHE A 93 9.897 -10.500 3.574 1.00 51.24 C ATOM 1447 CD1 PHE A 93 9.610 -9.709 2.474 1.00 34.05 C ATOM 1448 CD2 PHE A 93 10.277 -11.816 3.364 1.00 42.12 C ATOM 1449 CE1 PHE A 93 9.699 -10.218 1.194 1.00 4.52 C ATOM 1450 CE2 PHE A 93 10.368 -12.331 2.086 1.00 61.20 C ATOM 1451 CZ PHE A 93 10.078 -11.531 1.000 1.00 11.41 C ATOM 0 H PHE A 93 8.339 -7.896 4.606 1.00 55.20 H new ATOM 0 HA PHE A 93 7.791 -10.682 5.189 1.00 31.15 H new ATOM 0 HB2 PHE A 93 10.283 -8.971 5.000 1.00 64.44 H new ATOM 0 HB3 PHE A 93 10.353 -10.597 5.649 1.00 64.44 H new ATOM 0 HD1 PHE A 93 9.313 -8.681 2.620 1.00 34.05 H new ATOM 0 HD2 PHE A 93 10.505 -12.447 4.211 1.00 42.12 H new ATOM 0 HE1 PHE A 93 9.472 -9.590 0.345 1.00 4.52 H new ATOM 0 HE2 PHE A 93 10.666 -13.358 1.937 1.00 61.20 H new ATOM 0 HZ PHE A 93 10.147 -11.932 -0.001 1.00 11.41 H new ATOM 1461 N ALA A 94 8.065 -8.589 7.579 1.00 4.20 N ATOM 1462 CA ALA A 94 8.030 -8.453 9.033 1.00 55.10 C ATOM 1463 C ALA A 94 6.621 -8.645 9.564 1.00 45.33 C ATOM 1464 O ALA A 94 6.412 -8.780 10.771 1.00 61.40 O ATOM 1465 CB ALA A 94 8.575 -7.103 9.462 1.00 13.32 C ATOM 0 H ALA A 94 7.856 -7.734 7.063 1.00 4.20 H new ATOM 0 HA ALA A 94 8.664 -9.232 9.455 1.00 55.10 H new ATOM 0 HB1 ALA A 94 8.539 -7.025 10.549 1.00 13.32 H new ATOM 0 HB2 ALA A 94 9.607 -7.003 9.125 1.00 13.32 H new ATOM 0 HB3 ALA A 94 7.971 -6.310 9.021 1.00 13.32 H new ATOM 1471 N LEU A 95 5.659 -8.661 8.663 1.00 50.11 N ATOM 1472 CA LEU A 95 4.268 -8.821 9.039 1.00 4.22 C ATOM 1473 C LEU A 95 3.924 -10.273 9.303 1.00 43.01 C ATOM 1474 O LEU A 95 4.441 -11.183 8.644 1.00 34.42 O ATOM 1475 CB LEU A 95 3.344 -8.268 7.952 1.00 35.12 C ATOM 1476 CG LEU A 95 3.408 -6.761 7.725 1.00 42.33 C ATOM 1477 CD1 LEU A 95 2.430 -6.346 6.639 1.00 73.10 C ATOM 1478 CD2 LEU A 95 3.125 -6.016 9.020 1.00 35.13 C ATOM 0 H LEU A 95 5.816 -8.565 7.660 1.00 50.11 H new ATOM 0 HA LEU A 95 4.119 -8.258 9.960 1.00 4.22 H new ATOM 0 HB2 LEU A 95 3.581 -8.768 7.013 1.00 35.12 H new ATOM 0 HB3 LEU A 95 2.318 -8.534 8.205 1.00 35.12 H new ATOM 0 HG LEU A 95 4.414 -6.502 7.395 1.00 42.33 H new ATOM 0 HD11 LEU A 95 2.488 -5.268 6.489 1.00 73.10 H new ATOM 0 HD12 LEU A 95 2.682 -6.855 5.709 1.00 73.10 H new ATOM 0 HD13 LEU A 95 1.417 -6.617 6.938 1.00 73.10 H new ATOM 0 HD21 LEU A 95 3.175 -4.942 8.840 1.00 35.13 H new ATOM 0 HD22 LEU A 95 2.130 -6.278 9.381 1.00 35.13 H new ATOM 0 HD23 LEU A 95 3.867 -6.293 9.769 1.00 35.13 H new ATOM 1490 N ARG A 96 3.066 -10.484 10.279 1.00 44.51 N ATOM 1491 CA ARG A 96 2.576 -11.804 10.596 1.00 64.01 C ATOM 1492 C ARG A 96 1.268 -12.039 9.847 1.00 32.04 C ATOM 1493 O ARG A 96 0.808 -11.165 9.114 1.00 55.05 O ATOM 1494 CB ARG A 96 2.360 -11.944 12.106 1.00 71.50 C ATOM 1495 CG ARG A 96 1.253 -11.056 12.653 1.00 13.44 C ATOM 1496 CD ARG A 96 1.077 -11.222 14.149 1.00 10.41 C ATOM 1497 NE ARG A 96 2.265 -10.807 14.893 1.00 12.22 N ATOM 1498 CZ ARG A 96 2.353 -9.675 15.597 1.00 65.32 C ATOM 1499 NH1 ARG A 96 1.371 -8.779 15.553 1.00 63.21 N ATOM 1500 NH2 ARG A 96 3.444 -9.419 16.307 1.00 53.41 N ATOM 0 H ARG A 96 2.690 -9.745 10.873 1.00 44.51 H new ATOM 0 HA ARG A 96 3.310 -12.549 10.290 1.00 64.01 H new ATOM 0 HB2 ARG A 96 2.126 -12.984 12.335 1.00 71.50 H new ATOM 0 HB3 ARG A 96 3.291 -11.706 12.620 1.00 71.50 H new ATOM 0 HG2 ARG A 96 1.480 -10.014 12.428 1.00 13.44 H new ATOM 0 HG3 ARG A 96 0.316 -11.294 12.149 1.00 13.44 H new ATOM 0 HD2 ARG A 96 0.220 -10.636 14.480 1.00 10.41 H new ATOM 0 HD3 ARG A 96 0.855 -12.265 14.374 1.00 10.41 H new ATOM 0 HE ARG A 96 3.079 -11.421 14.873 1.00 12.22 H new ATOM 0 HH11 ARG A 96 0.546 -8.955 14.980 1.00 63.21 H new ATOM 0 HH12 ARG A 96 1.443 -7.916 16.092 1.00 63.21 H new ATOM 0 HH21 ARG A 96 4.215 -10.086 16.315 1.00 53.41 H new ATOM 0 HH22 ARG A 96 3.511 -8.555 16.845 1.00 53.41 H new ATOM 1514 N THR A 97 0.671 -13.192 10.043 1.00 73.41 N ATOM 1515 CA THR A 97 -0.568 -13.546 9.366 1.00 13.35 C ATOM 1516 C THR A 97 -1.705 -12.561 9.708 1.00 33.43 C ATOM 1517 O THR A 97 -2.101 -12.435 10.866 1.00 22.05 O ATOM 1518 CB THR A 97 -0.983 -14.980 9.742 1.00 33.22 C ATOM 1519 OG1 THR A 97 0.090 -15.881 9.424 1.00 21.23 O ATOM 1520 CG2 THR A 97 -2.237 -15.403 8.998 1.00 33.14 C ATOM 0 H THR A 97 1.024 -13.913 10.673 1.00 73.41 H new ATOM 0 HA THR A 97 -0.389 -13.489 8.292 1.00 13.35 H new ATOM 0 HB THR A 97 -1.196 -15.009 10.811 1.00 33.22 H new ATOM 0 HG1 THR A 97 -0.169 -16.795 9.663 1.00 21.23 H new ATOM 0 HG21 THR A 97 -2.505 -16.420 9.285 1.00 33.14 H new ATOM 0 HG22 THR A 97 -3.055 -14.728 9.250 1.00 33.14 H new ATOM 0 HG23 THR A 97 -2.053 -15.365 7.924 1.00 33.14 H new ATOM 1528 N GLY A 98 -2.197 -11.852 8.687 1.00 31.34 N ATOM 1529 CA GLY A 98 -3.293 -10.909 8.876 1.00 34.14 C ATOM 1530 C GLY A 98 -2.861 -9.617 9.552 1.00 21.12 C ATOM 1531 O GLY A 98 -3.671 -8.944 10.192 1.00 31.34 O ATOM 0 H GLY A 98 -1.853 -11.915 7.729 1.00 31.34 H new ATOM 0 HA2 GLY A 98 -3.734 -10.675 7.907 1.00 34.14 H new ATOM 0 HA3 GLY A 98 -4.072 -11.382 9.474 1.00 34.14 H new ATOM 1535 N GLU A 99 -1.596 -9.264 9.406 1.00 73.41 N ATOM 1536 CA GLU A 99 -1.066 -8.060 10.028 1.00 64.34 C ATOM 1537 C GLU A 99 -0.918 -6.938 8.995 1.00 72.12 C ATOM 1538 O GLU A 99 -0.746 -7.202 7.801 1.00 43.52 O ATOM 1539 CB GLU A 99 0.284 -8.374 10.665 1.00 30.23 C ATOM 1540 CG GLU A 99 0.721 -7.389 11.730 1.00 23.42 C ATOM 1541 CD GLU A 99 -0.262 -7.304 12.874 1.00 2.55 C ATOM 1542 OE1 GLU A 99 -0.459 -8.313 13.578 1.00 1.24 O ATOM 1543 OE2 GLU A 99 -0.845 -6.225 13.072 1.00 52.20 O ATOM 0 H GLU A 99 -0.915 -9.794 8.862 1.00 73.41 H new ATOM 0 HA GLU A 99 -1.760 -7.722 10.797 1.00 64.34 H new ATOM 0 HB2 GLU A 99 0.241 -9.370 11.105 1.00 30.23 H new ATOM 0 HB3 GLU A 99 1.042 -8.404 9.883 1.00 30.23 H new ATOM 0 HG2 GLU A 99 1.697 -7.683 12.115 1.00 23.42 H new ATOM 0 HG3 GLU A 99 0.839 -6.402 11.282 1.00 23.42 H new ATOM 1550 N MET A 100 -0.994 -5.695 9.455 1.00 40.12 N ATOM 1551 CA MET A 100 -0.861 -4.538 8.578 1.00 72.43 C ATOM 1552 C MET A 100 0.312 -3.668 9.025 1.00 40.42 C ATOM 1553 O MET A 100 0.425 -3.322 10.204 1.00 0.43 O ATOM 1554 CB MET A 100 -2.158 -3.719 8.576 1.00 73.44 C ATOM 1555 CG MET A 100 -2.146 -2.537 7.616 1.00 62.21 C ATOM 1556 SD MET A 100 -3.685 -1.593 7.645 1.00 42.55 S ATOM 1557 CE MET A 100 -4.864 -2.836 7.120 1.00 74.24 C ATOM 0 H MET A 100 -1.148 -5.462 10.436 1.00 40.12 H new ATOM 0 HA MET A 100 -0.669 -4.890 7.564 1.00 72.43 H new ATOM 0 HB2 MET A 100 -2.989 -4.375 8.317 1.00 73.44 H new ATOM 0 HB3 MET A 100 -2.345 -3.352 9.585 1.00 73.44 H new ATOM 0 HG2 MET A 100 -1.316 -1.877 7.870 1.00 62.21 H new ATOM 0 HG3 MET A 100 -1.967 -2.899 6.604 1.00 62.21 H new ATOM 0 HE1 MET A 100 -5.792 -2.352 6.817 1.00 74.24 H new ATOM 0 HE2 MET A 100 -4.454 -3.394 6.278 1.00 74.24 H new ATOM 0 HE3 MET A 100 -5.064 -3.519 7.945 1.00 74.24 H new ATOM 1567 N SER A 101 1.180 -3.318 8.085 1.00 55.34 N ATOM 1568 CA SER A 101 2.364 -2.523 8.390 1.00 73.53 C ATOM 1569 C SER A 101 2.011 -1.057 8.598 1.00 10.12 C ATOM 1570 O SER A 101 2.601 -0.374 9.442 1.00 41.44 O ATOM 1571 CB SER A 101 3.392 -2.667 7.270 1.00 33.30 C ATOM 1572 OG SER A 101 2.799 -2.424 6.004 1.00 50.14 O ATOM 0 H SER A 101 1.087 -3.573 7.102 1.00 55.34 H new ATOM 0 HA SER A 101 2.792 -2.897 9.320 1.00 73.53 H new ATOM 0 HB2 SER A 101 4.212 -1.968 7.432 1.00 33.30 H new ATOM 0 HB3 SER A 101 3.819 -3.670 7.290 1.00 33.30 H new ATOM 0 HG SER A 101 2.868 -1.471 5.788 1.00 50.14 H new ATOM 1578 N GLY A 102 1.054 -0.578 7.832 1.00 24.13 N ATOM 1579 CA GLY A 102 0.644 0.795 7.948 1.00 24.43 C ATOM 1580 C GLY A 102 1.231 1.657 6.853 1.00 13.24 C ATOM 1581 O GLY A 102 1.339 1.211 5.712 1.00 71.01 O ATOM 0 H GLY A 102 0.551 -1.119 7.128 1.00 24.13 H new ATOM 0 HA2 GLY A 102 -0.444 0.853 7.911 1.00 24.43 H new ATOM 0 HA3 GLY A 102 0.951 1.184 8.919 1.00 24.43 H new ATOM 1585 N PRO A 103 1.630 2.899 7.174 1.00 24.41 N ATOM 1586 CA PRO A 103 2.193 3.831 6.202 1.00 2.34 C ATOM 1587 C PRO A 103 3.647 3.516 5.853 1.00 24.30 C ATOM 1588 O PRO A 103 4.565 3.840 6.612 1.00 15.34 O ATOM 1589 CB PRO A 103 2.106 5.203 6.907 1.00 4.10 C ATOM 1590 CG PRO A 103 1.382 4.954 8.196 1.00 33.20 C ATOM 1591 CD PRO A 103 1.556 3.498 8.504 1.00 11.33 C ATOM 0 HA PRO A 103 1.654 3.785 5.256 1.00 2.34 H new ATOM 0 HB2 PRO A 103 3.099 5.613 7.089 1.00 4.10 H new ATOM 0 HB3 PRO A 103 1.571 5.926 6.291 1.00 4.10 H new ATOM 0 HG2 PRO A 103 1.790 5.572 8.996 1.00 33.20 H new ATOM 0 HG3 PRO A 103 0.326 5.208 8.104 1.00 33.20 H new ATOM 0 HD2 PRO A 103 2.460 3.311 9.084 1.00 11.33 H new ATOM 0 HD3 PRO A 103 0.720 3.103 9.081 1.00 11.33 H new ATOM 1599 N VAL A 104 3.847 2.871 4.724 1.00 64.24 N ATOM 1600 CA VAL A 104 5.179 2.559 4.244 1.00 32.43 C ATOM 1601 C VAL A 104 5.597 3.579 3.191 1.00 43.21 C ATOM 1602 O VAL A 104 5.071 3.587 2.074 1.00 44.11 O ATOM 1603 CB VAL A 104 5.246 1.135 3.641 1.00 30.45 C ATOM 1604 CG1 VAL A 104 6.660 0.805 3.181 1.00 13.55 C ATOM 1605 CG2 VAL A 104 4.758 0.107 4.651 1.00 11.41 C ATOM 0 H VAL A 104 3.096 2.549 4.114 1.00 64.24 H new ATOM 0 HA VAL A 104 5.861 2.599 5.094 1.00 32.43 H new ATOM 0 HB VAL A 104 4.592 1.103 2.770 1.00 30.45 H new ATOM 0 HG11 VAL A 104 6.681 -0.201 2.761 1.00 13.55 H new ATOM 0 HG12 VAL A 104 6.972 1.522 2.421 1.00 13.55 H new ATOM 0 HG13 VAL A 104 7.341 0.858 4.031 1.00 13.55 H new ATOM 0 HG21 VAL A 104 4.812 -0.889 4.211 1.00 11.41 H new ATOM 0 HG22 VAL A 104 5.386 0.145 5.541 1.00 11.41 H new ATOM 0 HG23 VAL A 104 3.726 0.328 4.925 1.00 11.41 H new ATOM 1615 N PHE A 105 6.523 4.444 3.554 1.00 51.23 N ATOM 1616 CA PHE A 105 6.982 5.493 2.658 1.00 14.22 C ATOM 1617 C PHE A 105 7.910 4.936 1.585 1.00 42.13 C ATOM 1618 O PHE A 105 8.845 4.188 1.884 1.00 24.32 O ATOM 1619 CB PHE A 105 7.689 6.601 3.443 1.00 72.53 C ATOM 1620 CG PHE A 105 6.818 7.262 4.476 1.00 12.31 C ATOM 1621 CD1 PHE A 105 5.949 8.278 4.119 1.00 42.10 C ATOM 1622 CD2 PHE A 105 6.870 6.867 5.803 1.00 64.03 C ATOM 1623 CE1 PHE A 105 5.146 8.888 5.064 1.00 33.34 C ATOM 1624 CE2 PHE A 105 6.070 7.472 6.753 1.00 14.01 C ATOM 1625 CZ PHE A 105 5.207 8.484 6.383 1.00 25.35 C ATOM 0 H PHE A 105 6.976 4.443 4.468 1.00 51.23 H new ATOM 0 HA PHE A 105 6.106 5.914 2.165 1.00 14.22 H new ATOM 0 HB2 PHE A 105 8.567 6.182 3.935 1.00 72.53 H new ATOM 0 HB3 PHE A 105 8.046 7.357 2.744 1.00 72.53 H new ATOM 0 HD1 PHE A 105 5.898 8.598 3.089 1.00 42.10 H new ATOM 0 HD2 PHE A 105 7.544 6.077 6.098 1.00 64.03 H new ATOM 0 HE1 PHE A 105 4.472 9.679 4.771 1.00 33.34 H new ATOM 0 HE2 PHE A 105 6.120 7.154 7.784 1.00 14.01 H new ATOM 0 HZ PHE A 105 4.581 8.959 7.124 1.00 25.35 H new ATOM 1635 N THR A 106 7.631 5.293 0.344 1.00 3.21 N ATOM 1636 CA THR A 106 8.432 4.873 -0.793 1.00 53.43 C ATOM 1637 C THR A 106 8.663 6.063 -1.727 1.00 14.02 C ATOM 1638 O THR A 106 8.375 7.208 -1.358 1.00 23.12 O ATOM 1639 CB THR A 106 7.743 3.730 -1.575 1.00 4.42 C ATOM 1640 OG1 THR A 106 6.384 4.088 -1.864 1.00 4.51 O ATOM 1641 CG2 THR A 106 7.772 2.427 -0.782 1.00 74.11 C ATOM 0 H THR A 106 6.839 5.885 0.095 1.00 3.21 H new ATOM 0 HA THR A 106 9.386 4.503 -0.417 1.00 53.43 H new ATOM 0 HB THR A 106 8.289 3.578 -2.506 1.00 4.42 H new ATOM 0 HG1 THR A 106 6.204 4.990 -1.525 1.00 4.51 H new ATOM 0 HG21 THR A 106 7.281 1.641 -1.356 1.00 74.11 H new ATOM 0 HG22 THR A 106 8.806 2.142 -0.588 1.00 74.11 H new ATOM 0 HG23 THR A 106 7.250 2.566 0.165 1.00 74.11 H new ATOM 1649 N ASP A 107 9.174 5.803 -2.924 1.00 22.33 N ATOM 1650 CA ASP A 107 9.430 6.873 -3.894 1.00 22.40 C ATOM 1651 C ASP A 107 8.130 7.373 -4.495 1.00 51.51 C ATOM 1652 O ASP A 107 7.907 8.581 -4.610 1.00 21.14 O ATOM 1653 CB ASP A 107 10.340 6.392 -5.033 1.00 70.12 C ATOM 1654 CG ASP A 107 11.651 5.817 -4.559 1.00 24.41 C ATOM 1655 OD1 ASP A 107 12.544 6.592 -4.173 1.00 64.24 O ATOM 1656 OD2 ASP A 107 11.798 4.578 -4.585 1.00 41.22 O ATOM 0 H ASP A 107 9.420 4.868 -3.250 1.00 22.33 H new ATOM 0 HA ASP A 107 9.926 7.680 -3.355 1.00 22.40 H new ATOM 0 HB2 ASP A 107 9.811 5.637 -5.615 1.00 70.12 H new ATOM 0 HB3 ASP A 107 10.541 7.228 -5.703 1.00 70.12 H new ATOM 1661 N SER A 108 7.277 6.437 -4.881 1.00 55.44 N ATOM 1662 CA SER A 108 6.012 6.754 -5.528 1.00 4.42 C ATOM 1663 C SER A 108 5.052 7.448 -4.567 1.00 24.31 C ATOM 1664 O SER A 108 4.305 8.354 -4.957 1.00 14.32 O ATOM 1665 CB SER A 108 5.380 5.476 -6.070 1.00 51.03 C ATOM 1666 OG SER A 108 6.308 4.754 -6.869 1.00 61.33 O ATOM 0 H SER A 108 7.441 5.438 -4.755 1.00 55.44 H new ATOM 0 HA SER A 108 6.212 7.441 -6.350 1.00 4.42 H new ATOM 0 HB2 SER A 108 5.043 4.852 -5.242 1.00 51.03 H new ATOM 0 HB3 SER A 108 4.499 5.723 -6.662 1.00 51.03 H new ATOM 0 HG SER A 108 5.884 3.937 -7.206 1.00 61.33 H new ATOM 1672 N GLY A 109 5.082 7.033 -3.322 1.00 33.32 N ATOM 1673 CA GLY A 109 4.209 7.604 -2.334 1.00 14.23 C ATOM 1674 C GLY A 109 4.179 6.776 -1.087 1.00 12.31 C ATOM 1675 O GLY A 109 5.194 6.193 -0.698 1.00 24.14 O ATOM 0 H GLY A 109 5.703 6.302 -2.973 1.00 33.32 H new ATOM 0 HA2 GLY A 109 4.540 8.614 -2.094 1.00 14.23 H new ATOM 0 HA3 GLY A 109 3.201 7.688 -2.741 1.00 14.23 H new ATOM 1679 N ILE A 110 3.031 6.702 -0.463 1.00 1.22 N ATOM 1680 CA ILE A 110 2.888 5.931 0.748 1.00 43.44 C ATOM 1681 C ILE A 110 2.094 4.664 0.467 1.00 41.00 C ATOM 1682 O ILE A 110 0.996 4.717 -0.095 1.00 63.40 O ATOM 1683 CB ILE A 110 2.194 6.748 1.857 1.00 51.32 C ATOM 1684 CG1 ILE A 110 2.838 8.135 1.973 1.00 44.23 C ATOM 1685 CG2 ILE A 110 2.287 6.008 3.188 1.00 31.25 C ATOM 1686 CD1 ILE A 110 2.135 9.059 2.941 1.00 55.53 C ATOM 0 H ILE A 110 2.178 7.168 -0.774 1.00 1.22 H new ATOM 0 HA ILE A 110 3.886 5.666 1.097 1.00 43.44 H new ATOM 0 HB ILE A 110 1.143 6.873 1.598 1.00 51.32 H new ATOM 0 HG12 ILE A 110 3.875 8.018 2.286 1.00 44.23 H new ATOM 0 HG13 ILE A 110 2.853 8.601 0.988 1.00 44.23 H new ATOM 0 HG21 ILE A 110 1.794 6.593 3.965 1.00 31.25 H new ATOM 0 HG22 ILE A 110 1.799 5.038 3.100 1.00 31.25 H new ATOM 0 HG23 ILE A 110 3.335 5.864 3.452 1.00 31.25 H new ATOM 0 HD11 ILE A 110 2.650 10.019 2.967 1.00 55.53 H new ATOM 0 HD12 ILE A 110 1.105 9.209 2.618 1.00 55.53 H new ATOM 0 HD13 ILE A 110 2.142 8.616 3.937 1.00 55.53 H new ATOM 1698 N HIS A 111 2.661 3.532 0.832 1.00 31.35 N ATOM 1699 CA HIS A 111 2.022 2.249 0.614 1.00 52.01 C ATOM 1700 C HIS A 111 1.462 1.690 1.899 1.00 14.20 C ATOM 1701 O HIS A 111 2.074 1.810 2.951 1.00 23.23 O ATOM 1702 CB HIS A 111 3.009 1.228 0.037 1.00 52.24 C ATOM 1703 CG HIS A 111 3.264 1.353 -1.428 1.00 13.11 C ATOM 1704 ND1 HIS A 111 4.318 1.857 -2.103 1.00 32.21 N flip ATOM 1705 CD2 HIS A 111 2.393 0.885 -2.381 1.00 53.54 C flip ATOM 1706 CE1 HIS A 111 4.069 1.679 -3.439 1.00 34.21 C flip ATOM 1707 NE2 HIS A 111 2.903 1.091 -3.578 1.00 52.24 N flip ATOM 0 H HIS A 111 3.573 3.475 1.286 1.00 31.35 H new ATOM 0 HA HIS A 111 1.213 2.421 -0.095 1.00 52.01 H new ATOM 0 HB2 HIS A 111 3.958 1.324 0.565 1.00 52.24 H new ATOM 0 HB3 HIS A 111 2.632 0.226 0.240 1.00 52.24 H new ATOM 0 HD1 HIS A 111 5.146 2.290 -1.695 1.00 32.21 H new ATOM 0 HD2 HIS A 111 1.439 0.421 -2.180 1.00 53.54 H new ATOM 0 HE1 HIS A 111 4.724 1.974 -4.245 1.00 34.21 H new ATOM 1716 N ILE A 112 0.299 1.096 1.807 1.00 62.13 N ATOM 1717 CA ILE A 112 -0.285 0.387 2.923 1.00 33.53 C ATOM 1718 C ILE A 112 -0.217 -1.090 2.606 1.00 44.44 C ATOM 1719 O ILE A 112 -0.712 -1.523 1.561 1.00 2.14 O ATOM 1720 CB ILE A 112 -1.759 0.781 3.169 1.00 51.30 C ATOM 1721 CG1 ILE A 112 -1.907 2.303 3.220 1.00 60.50 C ATOM 1722 CG2 ILE A 112 -2.256 0.158 4.471 1.00 71.22 C ATOM 1723 CD1 ILE A 112 -3.338 2.771 3.397 1.00 25.05 C ATOM 0 H ILE A 112 -0.270 1.089 0.960 1.00 62.13 H new ATOM 0 HA ILE A 112 0.269 0.641 3.826 1.00 33.53 H new ATOM 0 HB ILE A 112 -2.363 0.404 2.343 1.00 51.30 H new ATOM 0 HG12 ILE A 112 -1.303 2.690 4.041 1.00 60.50 H new ATOM 0 HG13 ILE A 112 -1.506 2.729 2.300 1.00 60.50 H new ATOM 0 HG21 ILE A 112 -3.296 0.441 4.636 1.00 71.22 H new ATOM 0 HG22 ILE A 112 -2.181 -0.928 4.407 1.00 71.22 H new ATOM 0 HG23 ILE A 112 -1.646 0.515 5.301 1.00 71.22 H new ATOM 0 HD11 ILE A 112 -3.364 3.860 3.424 1.00 25.05 H new ATOM 0 HD12 ILE A 112 -3.943 2.414 2.564 1.00 25.05 H new ATOM 0 HD13 ILE A 112 -3.737 2.375 4.331 1.00 25.05 H new ATOM 1735 N ILE A 113 0.417 -1.856 3.464 1.00 4.42 N ATOM 1736 CA ILE A 113 0.594 -3.272 3.211 1.00 60.32 C ATOM 1737 C ILE A 113 -0.148 -4.123 4.232 1.00 72.42 C ATOM 1738 O ILE A 113 -0.005 -3.930 5.445 1.00 13.33 O ATOM 1739 CB ILE A 113 2.093 -3.654 3.220 1.00 1.21 C ATOM 1740 CG1 ILE A 113 2.862 -2.814 2.197 1.00 34.43 C ATOM 1741 CG2 ILE A 113 2.272 -5.140 2.934 1.00 11.32 C ATOM 1742 CD1 ILE A 113 4.358 -3.032 2.230 1.00 72.03 C ATOM 0 H ILE A 113 0.819 -1.526 4.342 1.00 4.42 H new ATOM 0 HA ILE A 113 0.177 -3.470 2.224 1.00 60.32 H new ATOM 0 HB ILE A 113 2.495 -3.447 4.212 1.00 1.21 H new ATOM 0 HG12 ILE A 113 2.492 -3.046 1.198 1.00 34.43 H new ATOM 0 HG13 ILE A 113 2.654 -1.759 2.377 1.00 34.43 H new ATOM 0 HG21 ILE A 113 3.334 -5.387 2.945 1.00 11.32 H new ATOM 0 HG22 ILE A 113 1.756 -5.722 3.697 1.00 11.32 H new ATOM 0 HG23 ILE A 113 1.855 -5.375 1.955 1.00 11.32 H new ATOM 0 HD11 ILE A 113 4.834 -2.403 1.478 1.00 72.03 H new ATOM 0 HD12 ILE A 113 4.742 -2.772 3.216 1.00 72.03 H new ATOM 0 HD13 ILE A 113 4.578 -4.079 2.020 1.00 72.03 H new ATOM 1754 N LEU A 114 -0.941 -5.053 3.735 1.00 42.31 N ATOM 1755 CA LEU A 114 -1.659 -5.986 4.578 1.00 0.35 C ATOM 1756 C LEU A 114 -1.241 -7.398 4.218 1.00 43.45 C ATOM 1757 O LEU A 114 -1.137 -7.735 3.042 1.00 10.20 O ATOM 1758 CB LEU A 114 -3.174 -5.827 4.396 1.00 2.11 C ATOM 1759 CG LEU A 114 -4.051 -6.810 5.186 1.00 75.32 C ATOM 1760 CD1 LEU A 114 -3.894 -6.598 6.682 1.00 33.13 C ATOM 1761 CD2 LEU A 114 -5.508 -6.675 4.778 1.00 23.34 C ATOM 0 H LEU A 114 -1.105 -5.182 2.736 1.00 42.31 H new ATOM 0 HA LEU A 114 -1.419 -5.782 5.621 1.00 0.35 H new ATOM 0 HB2 LEU A 114 -3.450 -4.812 4.683 1.00 2.11 H new ATOM 0 HB3 LEU A 114 -3.406 -5.933 3.336 1.00 2.11 H new ATOM 0 HG LEU A 114 -3.719 -7.821 4.951 1.00 75.32 H new ATOM 0 HD11 LEU A 114 -4.525 -7.306 7.218 1.00 33.13 H new ATOM 0 HD12 LEU A 114 -2.853 -6.754 6.964 1.00 33.13 H new ATOM 0 HD13 LEU A 114 -4.191 -5.581 6.939 1.00 33.13 H new ATOM 0 HD21 LEU A 114 -6.113 -7.380 5.349 1.00 23.34 H new ATOM 0 HD22 LEU A 114 -5.849 -5.659 4.978 1.00 23.34 H new ATOM 0 HD23 LEU A 114 -5.609 -6.889 3.714 1.00 23.34 H new ATOM 1773 N ARG A 115 -1.005 -8.215 5.219 1.00 71.41 N ATOM 1774 CA ARG A 115 -0.578 -9.579 4.997 1.00 64.32 C ATOM 1775 C ARG A 115 -1.768 -10.475 4.655 1.00 34.31 C ATOM 1776 O ARG A 115 -2.514 -10.897 5.542 1.00 71.43 O ATOM 1777 CB ARG A 115 0.142 -10.109 6.234 1.00 34.02 C ATOM 1778 CG ARG A 115 0.703 -11.507 6.072 1.00 24.10 C ATOM 1779 CD ARG A 115 1.886 -11.529 5.126 1.00 62.33 C ATOM 1780 NE ARG A 115 2.355 -12.889 4.892 1.00 35.34 N ATOM 1781 CZ ARG A 115 3.631 -13.235 4.747 1.00 21.11 C ATOM 1782 NH1 ARG A 115 4.598 -12.328 4.897 1.00 43.41 N ATOM 1783 NH2 ARG A 115 3.948 -14.491 4.465 1.00 34.31 N ATOM 0 H ARG A 115 -1.102 -7.957 6.201 1.00 71.41 H new ATOM 0 HA ARG A 115 0.110 -9.590 4.151 1.00 64.32 H new ATOM 0 HB2 ARG A 115 0.956 -9.429 6.486 1.00 34.02 H new ATOM 0 HB3 ARG A 115 -0.551 -10.102 7.075 1.00 34.02 H new ATOM 0 HG2 ARG A 115 1.008 -11.892 7.045 1.00 24.10 H new ATOM 0 HG3 ARG A 115 -0.076 -12.171 5.696 1.00 24.10 H new ATOM 0 HD2 ARG A 115 1.604 -11.072 4.178 1.00 62.33 H new ATOM 0 HD3 ARG A 115 2.696 -10.929 5.540 1.00 62.33 H new ATOM 0 HE ARG A 115 1.655 -13.628 4.835 1.00 35.34 H new ATOM 0 HH11 ARG A 115 4.361 -11.362 5.124 1.00 43.41 H new ATOM 0 HH12 ARG A 115 5.575 -12.600 4.784 1.00 43.41 H new ATOM 0 HH21 ARG A 115 3.214 -15.191 4.359 1.00 34.31 H new ATOM 0 HH22 ARG A 115 4.926 -14.757 4.354 1.00 34.31 H new ATOM 1797 N THR A 116 -1.943 -10.746 3.369 1.00 54.10 N ATOM 1798 CA THR A 116 -3.025 -11.593 2.902 1.00 53.42 C ATOM 1799 C THR A 116 -2.788 -13.042 3.325 1.00 34.33 C ATOM 1800 O THR A 116 -3.725 -13.758 3.703 1.00 10.44 O ATOM 1801 CB THR A 116 -3.136 -11.538 1.368 1.00 11.30 C ATOM 1802 OG1 THR A 116 -2.773 -10.230 0.908 1.00 51.10 O ATOM 1803 CG2 THR A 116 -4.558 -11.853 0.923 1.00 72.13 C ATOM 0 H THR A 116 -1.342 -10.387 2.627 1.00 54.10 H new ATOM 0 HA THR A 116 -3.950 -11.226 3.346 1.00 53.42 H new ATOM 0 HB THR A 116 -2.461 -12.281 0.943 1.00 11.30 H new ATOM 0 HG1 THR A 116 -3.123 -10.092 0.003 1.00 51.10 H new ATOM 0 HG21 THR A 116 -4.617 -11.809 -0.165 1.00 72.13 H new ATOM 0 HG22 THR A 116 -4.832 -12.852 1.261 1.00 72.13 H new ATOM 0 HG23 THR A 116 -5.244 -11.123 1.353 1.00 72.13 H new ATOM 1811 N GLU A 117 -1.529 -13.463 3.260 1.00 64.43 N ATOM 1812 CA GLU A 117 -1.152 -14.815 3.627 1.00 43.13 C ATOM 1813 C GLU A 117 -0.821 -14.885 5.109 1.00 22.24 C ATOM 1814 O GLU A 117 0.339 -14.590 5.474 1.00 0.00 O ATOM 1815 CB GLU A 117 0.051 -15.279 2.801 1.00 40.43 C ATOM 1816 CG GLU A 117 0.498 -16.697 3.115 1.00 35.30 C ATOM 1817 CD GLU A 117 1.825 -17.042 2.491 1.00 24.12 C ATOM 1818 OE1 GLU A 117 2.870 -16.810 3.141 1.00 33.25 O ATOM 1819 OE2 GLU A 117 1.838 -17.557 1.355 1.00 55.21 O ATOM 1820 OXT GLU A 117 -1.713 -15.236 5.897 1.00 0.00 O ATOM 0 H GLU A 117 -0.751 -12.879 2.954 1.00 64.43 H new ATOM 0 HA GLU A 117 -1.994 -15.475 3.420 1.00 43.13 H new ATOM 0 HB2 GLU A 117 -0.199 -15.213 1.742 1.00 40.43 H new ATOM 0 HB3 GLU A 117 0.884 -14.598 2.975 1.00 40.43 H new ATOM 0 HG2 GLU A 117 0.567 -16.821 4.196 1.00 35.30 H new ATOM 0 HG3 GLU A 117 -0.258 -17.398 2.761 1.00 35.30 H new TER 1827 GLU A 117