USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 944 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 48 THR OG1 : rot 180:sc= -0.0447 USER MOD Set 1.2: A 83 HIS : no HE2:sc= 0.955 K(o=0.91,f=-3.3!) USER MOD Single : A 11 SER OG : rot 12:sc= 1.58 USER MOD Single : A 15 ASN : amide:sc= -0.0137 K(o=-0.014,f=-0.84) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 151:sc= 0.233 USER MOD Single : A 24 ASN : amide:sc= 0.574 K(o=0.57,f=-5.9!) USER MOD Single : A 37 THR OG1 : rot 99:sc= 0.682 USER MOD Single : A 46 HIS : +bothHN:sc= -1.63 X(o=-1.6,f=-1.6) USER MOD Single : A 50 MET CE :methyl 171:sc= 0 (180deg=-0.134) USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= 0.519 (180deg=-1.35!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -171:sc= -0.0248 (180deg=-0.188) USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= 0.356 (180deg=-0.245!) USER MOD Single : A 78 LYS NZ :NH3+ -118:sc= 1.09 (180deg=-0.381) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -129:sc= 0.0243 (180deg=-3.52!) USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= 2.2 (180deg=0.93) USER MOD Single : A 109 LYS NZ :NH3+ -150:sc= 1.72 (180deg=1.11) USER MOD Single : A 112 LYS NZ :NH3+ 176:sc= 1.99 (180deg=1.89) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 5.041 -2.827 10.162 1.00 1.92 N ATOM 56 CA GLU A 5 3.800 -2.120 10.485 1.00 1.20 C ATOM 57 C GLU A 5 2.870 -2.108 9.260 1.00 1.19 C ATOM 58 O GLU A 5 3.247 -1.532 8.242 1.00 2.23 O ATOM 59 CB GLU A 5 4.160 -0.658 10.861 1.00 3.00 C ATOM 60 CG GLU A 5 3.973 -0.294 12.335 1.00 4.01 C ATOM 61 CD GLU A 5 4.926 -0.981 13.311 1.00 4.47 C ATOM 62 OE1 GLU A 5 6.165 -0.818 13.207 1.00 5.21 O ATOM 63 OE2 GLU A 5 4.470 -1.611 14.290 1.00 4.84 O ATOM 0 HA GLU A 5 3.293 -2.618 11.312 1.00 1.20 H new ATOM 0 HB2 GLU A 5 5.200 -0.476 10.589 1.00 3.00 H new ATOM 0 HB3 GLU A 5 3.550 0.015 10.258 1.00 3.00 H new ATOM 0 HG2 GLU A 5 4.088 0.785 12.442 1.00 4.01 H new ATOM 0 HG3 GLU A 5 2.950 -0.536 12.623 1.00 4.01 H new ATOM 70 N GLY A 6 1.659 -2.684 9.318 1.00 0.87 N ATOM 71 CA GLY A 6 0.603 -2.323 8.360 1.00 0.84 C ATOM 72 C GLY A 6 -0.815 -2.693 8.775 1.00 0.69 C ATOM 73 O GLY A 6 -1.010 -3.444 9.732 1.00 0.79 O ATOM 0 H GLY A 6 1.390 -3.389 10.005 1.00 0.87 H new ATOM 0 HA2 GLY A 6 0.644 -1.247 8.190 1.00 0.84 H new ATOM 0 HA3 GLY A 6 0.821 -2.805 7.407 1.00 0.84 H new ATOM 77 N TRP A 7 -1.792 -2.240 7.986 1.00 0.64 N ATOM 78 CA TRP A 7 -3.193 -2.655 8.062 1.00 0.61 C ATOM 79 C TRP A 7 -3.866 -2.605 6.679 1.00 0.61 C ATOM 80 O TRP A 7 -3.537 -1.766 5.837 1.00 0.60 O ATOM 81 CB TRP A 7 -3.951 -1.821 9.110 1.00 0.68 C ATOM 82 CG TRP A 7 -4.230 -0.379 8.783 1.00 0.65 C ATOM 83 CD1 TRP A 7 -5.446 0.121 8.461 1.00 0.72 C ATOM 84 CD2 TRP A 7 -3.317 0.770 8.759 1.00 0.96 C ATOM 85 NE1 TRP A 7 -5.357 1.483 8.260 1.00 1.03 N ATOM 86 CE2 TRP A 7 -4.068 1.935 8.418 1.00 1.24 C ATOM 87 CE3 TRP A 7 -1.933 0.959 8.990 1.00 1.20 C ATOM 88 CZ2 TRP A 7 -3.483 3.205 8.291 1.00 1.75 C ATOM 89 CZ3 TRP A 7 -1.333 2.226 8.854 1.00 1.69 C ATOM 90 CH2 TRP A 7 -2.102 3.349 8.506 1.00 1.96 C ATOM 0 H TRP A 7 -1.623 -1.551 7.253 1.00 0.64 H new ATOM 0 HA TRP A 7 -3.226 -3.694 8.389 1.00 0.61 H new ATOM 0 HB2 TRP A 7 -4.904 -2.312 9.305 1.00 0.68 H new ATOM 0 HB3 TRP A 7 -3.382 -1.851 10.039 1.00 0.68 H new ATOM 0 HD1 TRP A 7 -6.352 -0.460 8.374 1.00 0.72 H new ATOM 0 HE1 TRP A 7 -6.149 2.081 8.024 1.00 1.03 H new ATOM 0 HE3 TRP A 7 -1.325 0.114 9.277 1.00 1.20 H new ATOM 0 HZ2 TRP A 7 -4.088 4.061 8.031 1.00 1.75 H new ATOM 0 HZ3 TRP A 7 -0.271 2.335 9.019 1.00 1.69 H new ATOM 0 HH2 TRP A 7 -1.634 4.317 8.404 1.00 1.96 H new ATOM 101 N VAL A 8 -4.809 -3.511 6.429 1.00 0.80 N ATOM 102 CA VAL A 8 -5.593 -3.523 5.182 1.00 0.96 C ATOM 103 C VAL A 8 -6.893 -2.772 5.434 1.00 1.05 C ATOM 104 O VAL A 8 -7.583 -3.068 6.409 1.00 1.19 O ATOM 105 CB VAL A 8 -5.825 -4.964 4.693 1.00 1.10 C ATOM 106 CG1 VAL A 8 -6.880 -5.065 3.578 1.00 1.35 C ATOM 107 CG2 VAL A 8 -4.482 -5.501 4.165 1.00 1.04 C ATOM 0 H VAL A 8 -5.056 -4.258 7.079 1.00 0.80 H new ATOM 0 HA VAL A 8 -5.048 -3.022 4.382 1.00 0.96 H new ATOM 0 HB VAL A 8 -6.202 -5.548 5.532 1.00 1.10 H new ATOM 0 HG11 VAL A 8 -6.995 -6.107 3.279 1.00 1.35 H new ATOM 0 HG12 VAL A 8 -7.834 -4.685 3.944 1.00 1.35 H new ATOM 0 HG13 VAL A 8 -6.560 -4.475 2.720 1.00 1.35 H new ATOM 0 HG21 VAL A 8 -4.613 -6.523 3.810 1.00 1.04 H new ATOM 0 HG22 VAL A 8 -4.137 -4.873 3.344 1.00 1.04 H new ATOM 0 HG23 VAL A 8 -3.744 -5.487 4.967 1.00 1.04 H new ATOM 117 N ARG A 9 -7.212 -1.776 4.598 1.00 1.02 N ATOM 118 CA ARG A 9 -8.324 -0.873 4.885 1.00 1.08 C ATOM 119 C ARG A 9 -9.674 -1.556 4.650 1.00 1.17 C ATOM 120 O ARG A 9 -9.995 -1.954 3.530 1.00 2.14 O ATOM 121 CB ARG A 9 -8.218 0.426 4.070 1.00 1.14 C ATOM 122 CG ARG A 9 -9.064 1.523 4.733 1.00 1.35 C ATOM 123 CD ARG A 9 -9.220 2.773 3.864 1.00 1.70 C ATOM 124 NE ARG A 9 -10.245 2.587 2.827 1.00 2.47 N ATOM 125 CZ ARG A 9 -10.496 3.408 1.819 1.00 3.48 C ATOM 126 NH1 ARG A 9 -9.743 4.470 1.585 1.00 4.15 N ATOM 127 NH2 ARG A 9 -11.529 3.155 1.036 1.00 4.84 N ATOM 0 H ARG A 9 -6.719 -1.579 3.727 1.00 1.02 H new ATOM 0 HA ARG A 9 -8.262 -0.610 5.941 1.00 1.08 H new ATOM 0 HB2 ARG A 9 -7.177 0.744 4.008 1.00 1.14 H new ATOM 0 HB3 ARG A 9 -8.561 0.256 3.050 1.00 1.14 H new ATOM 0 HG2 ARG A 9 -10.051 1.122 4.962 1.00 1.35 H new ATOM 0 HG3 ARG A 9 -8.606 1.803 5.681 1.00 1.35 H new ATOM 0 HD2 ARG A 9 -9.487 3.623 4.492 1.00 1.70 H new ATOM 0 HD3 ARG A 9 -8.266 3.012 3.394 1.00 1.70 H new ATOM 0 HE ARG A 9 -10.818 1.745 2.890 1.00 2.47 H new ATOM 0 HH11 ARG A 9 -8.946 4.673 2.188 1.00 4.15 H new ATOM 0 HH12 ARG A 9 -9.959 5.086 0.801 1.00 4.15 H new ATOM 0 HH21 ARG A 9 -12.116 2.340 1.213 1.00 4.84 H new ATOM 0 HH22 ARG A 9 -11.740 3.775 0.254 1.00 4.84 H new ATOM 141 N PHE A 10 -10.511 -1.583 5.685 1.00 0.74 N ATOM 142 CA PHE A 10 -11.943 -1.854 5.596 1.00 0.65 C ATOM 143 C PHE A 10 -12.604 -1.038 4.469 1.00 0.77 C ATOM 144 O PHE A 10 -12.321 0.152 4.287 1.00 1.08 O ATOM 145 CB PHE A 10 -12.556 -1.498 6.963 1.00 0.78 C ATOM 146 CG PHE A 10 -14.070 -1.443 7.023 1.00 0.89 C ATOM 147 CD1 PHE A 10 -14.753 -0.318 6.521 1.00 1.74 C ATOM 148 CD2 PHE A 10 -14.797 -2.490 7.616 1.00 1.45 C ATOM 149 CE1 PHE A 10 -16.155 -0.275 6.535 1.00 1.89 C ATOM 150 CE2 PHE A 10 -16.199 -2.425 7.677 1.00 1.65 C ATOM 151 CZ PHE A 10 -16.881 -1.331 7.110 1.00 1.38 C ATOM 0 H PHE A 10 -10.200 -1.411 6.641 1.00 0.74 H new ATOM 0 HA PHE A 10 -12.113 -2.903 5.355 1.00 0.65 H new ATOM 0 HB2 PHE A 10 -12.210 -2.229 7.694 1.00 0.78 H new ATOM 0 HB3 PHE A 10 -12.165 -0.528 7.272 1.00 0.78 H new ATOM 0 HD1 PHE A 10 -14.194 0.516 6.123 1.00 1.74 H new ATOM 0 HD2 PHE A 10 -14.278 -3.344 8.025 1.00 1.45 H new ATOM 0 HE1 PHE A 10 -16.675 0.568 6.105 1.00 1.89 H new ATOM 0 HE2 PHE A 10 -16.755 -3.215 8.160 1.00 1.65 H new ATOM 0 HZ PHE A 10 -17.961 -1.304 7.117 1.00 1.38 H new ATOM 161 N SER A 11 -13.564 -1.629 3.758 1.00 0.81 N ATOM 162 CA SER A 11 -14.533 -0.915 2.937 1.00 1.09 C ATOM 163 C SER A 11 -15.824 -1.744 2.752 1.00 1.29 C ATOM 164 O SER A 11 -15.778 -2.972 2.848 1.00 1.46 O ATOM 165 CB SER A 11 -13.869 -0.550 1.604 1.00 1.35 C ATOM 166 OG SER A 11 -13.043 0.599 1.778 1.00 2.53 O ATOM 0 H SER A 11 -13.690 -2.641 3.739 1.00 0.81 H new ATOM 0 HA SER A 11 -14.840 0.005 3.434 1.00 1.09 H new ATOM 0 HB2 SER A 11 -13.272 -1.387 1.242 1.00 1.35 H new ATOM 0 HB3 SER A 11 -14.630 -0.352 0.850 1.00 1.35 H new ATOM 0 HG SER A 11 -12.936 0.783 2.735 1.00 2.53 H new ATOM 172 N PRO A 12 -16.989 -1.097 2.543 1.00 1.56 N ATOM 173 CA PRO A 12 -18.289 -1.760 2.436 1.00 1.90 C ATOM 174 C PRO A 12 -18.671 -2.032 0.968 1.00 1.84 C ATOM 175 O PRO A 12 -19.789 -1.758 0.541 1.00 2.71 O ATOM 176 CB PRO A 12 -19.240 -0.775 3.109 1.00 2.34 C ATOM 177 CG PRO A 12 -18.706 0.569 2.612 1.00 2.24 C ATOM 178 CD PRO A 12 -17.192 0.349 2.619 1.00 1.84 C ATOM 0 HA PRO A 12 -18.307 -2.744 2.904 1.00 1.90 H new ATOM 0 HB2 PRO A 12 -20.276 -0.939 2.811 1.00 2.34 H new ATOM 0 HB3 PRO A 12 -19.205 -0.852 4.196 1.00 2.34 H new ATOM 0 HG2 PRO A 12 -19.076 0.809 1.615 1.00 2.24 H new ATOM 0 HG3 PRO A 12 -19.000 1.389 3.267 1.00 2.24 H new ATOM 0 HD2 PRO A 12 -16.722 0.853 1.775 1.00 1.84 H new ATOM 0 HD3 PRO A 12 -16.743 0.758 3.524 1.00 1.84 H new ATOM 186 N GLY A 13 -17.709 -2.500 0.174 1.00 1.09 N ATOM 187 CA GLY A 13 -17.833 -2.554 -1.287 1.00 1.11 C ATOM 188 C GLY A 13 -16.846 -3.477 -2.020 1.00 1.01 C ATOM 189 O GLY A 13 -16.168 -4.273 -1.378 1.00 1.17 O ATOM 0 H GLY A 13 -16.819 -2.854 0.524 1.00 1.09 H new ATOM 0 HA2 GLY A 13 -18.846 -2.872 -1.533 1.00 1.11 H new ATOM 0 HA3 GLY A 13 -17.712 -1.544 -1.678 1.00 1.11 H new ATOM 193 N PRO A 14 -16.774 -3.381 -3.365 1.00 0.97 N ATOM 194 CA PRO A 14 -15.934 -4.235 -4.210 1.00 1.05 C ATOM 195 C PRO A 14 -14.444 -3.865 -4.200 1.00 0.88 C ATOM 196 O PRO A 14 -13.618 -4.652 -4.664 1.00 1.01 O ATOM 197 CB PRO A 14 -16.492 -4.050 -5.623 1.00 1.24 C ATOM 198 CG PRO A 14 -17.077 -2.639 -5.611 1.00 1.22 C ATOM 199 CD PRO A 14 -17.595 -2.498 -4.184 1.00 1.11 C ATOM 0 HA PRO A 14 -15.970 -5.260 -3.841 1.00 1.05 H new ATOM 0 HB2 PRO A 14 -15.711 -4.151 -6.376 1.00 1.24 H new ATOM 0 HB3 PRO A 14 -17.254 -4.795 -5.851 1.00 1.24 H new ATOM 0 HG2 PRO A 14 -16.323 -1.887 -5.843 1.00 1.22 H new ATOM 0 HG3 PRO A 14 -17.876 -2.526 -6.344 1.00 1.22 H new ATOM 0 HD2 PRO A 14 -17.518 -1.466 -3.842 1.00 1.11 H new ATOM 0 HD3 PRO A 14 -18.647 -2.776 -4.122 1.00 1.11 H new ATOM 207 N ASN A 15 -14.103 -2.664 -3.731 1.00 0.76 N ATOM 208 CA ASN A 15 -12.758 -2.129 -3.653 1.00 0.66 C ATOM 209 C ASN A 15 -12.349 -1.654 -2.243 1.00 0.63 C ATOM 210 O ASN A 15 -13.177 -1.422 -1.359 1.00 0.86 O ATOM 211 CB ASN A 15 -12.664 -1.004 -4.687 1.00 0.79 C ATOM 212 CG ASN A 15 -13.651 0.142 -4.492 1.00 1.33 C ATOM 213 OD1 ASN A 15 -13.661 0.826 -3.480 1.00 2.41 O ATOM 214 ND2 ASN A 15 -14.507 0.392 -5.469 1.00 1.69 N ATOM 0 H ASN A 15 -14.801 -2.009 -3.378 1.00 0.76 H new ATOM 0 HA ASN A 15 -12.047 -2.926 -3.871 1.00 0.66 H new ATOM 0 HB2 ASN A 15 -11.653 -0.598 -4.668 1.00 0.79 H new ATOM 0 HB3 ASN A 15 -12.818 -1.430 -5.679 1.00 0.79 H new ATOM 0 HD21 ASN A 15 -15.176 1.156 -5.378 1.00 1.69 H new ATOM 0 HD22 ASN A 15 -14.498 -0.180 -6.314 1.00 1.69 H new ATOM 221 N ALA A 16 -11.034 -1.507 -2.068 1.00 0.50 N ATOM 222 CA ALA A 16 -10.320 -1.161 -0.843 1.00 0.46 C ATOM 223 C ALA A 16 -8.950 -0.520 -1.156 1.00 0.41 C ATOM 224 O ALA A 16 -8.585 -0.298 -2.312 1.00 0.39 O ATOM 225 CB ALA A 16 -10.203 -2.437 0.001 1.00 0.49 C ATOM 0 H ALA A 16 -10.389 -1.639 -2.847 1.00 0.50 H new ATOM 0 HA ALA A 16 -10.866 -0.407 -0.276 1.00 0.46 H new ATOM 0 HB1 ALA A 16 -9.673 -2.214 0.927 1.00 0.49 H new ATOM 0 HB2 ALA A 16 -11.200 -2.811 0.235 1.00 0.49 H new ATOM 0 HB3 ALA A 16 -9.653 -3.194 -0.558 1.00 0.49 H new ATOM 231 N ALA A 17 -8.181 -0.214 -0.112 1.00 0.43 N ATOM 232 CA ALA A 17 -6.817 0.326 -0.139 1.00 0.41 C ATOM 233 C ALA A 17 -5.980 -0.411 0.923 1.00 0.46 C ATOM 234 O ALA A 17 -6.559 -1.065 1.792 1.00 0.73 O ATOM 235 CB ALA A 17 -6.884 1.827 0.167 1.00 0.50 C ATOM 0 H ALA A 17 -8.515 -0.345 0.843 1.00 0.43 H new ATOM 0 HA ALA A 17 -6.354 0.184 -1.116 1.00 0.41 H new ATOM 0 HB1 ALA A 17 -5.878 2.247 0.151 1.00 0.50 H new ATOM 0 HB2 ALA A 17 -7.497 2.325 -0.585 1.00 0.50 H new ATOM 0 HB3 ALA A 17 -7.325 1.978 1.152 1.00 0.50 H new ATOM 241 N ALA A 18 -4.652 -0.278 0.918 1.00 0.45 N ATOM 242 CA ALA A 18 -3.812 -0.810 1.998 1.00 0.50 C ATOM 243 C ALA A 18 -2.651 0.132 2.330 1.00 0.53 C ATOM 244 O ALA A 18 -2.040 0.738 1.441 1.00 0.55 O ATOM 245 CB ALA A 18 -3.344 -2.231 1.660 1.00 0.57 C ATOM 0 H ALA A 18 -4.133 0.194 0.178 1.00 0.45 H new ATOM 0 HA ALA A 18 -4.414 -0.873 2.904 1.00 0.50 H new ATOM 0 HB1 ALA A 18 -2.722 -2.612 2.470 1.00 0.57 H new ATOM 0 HB2 ALA A 18 -4.211 -2.879 1.533 1.00 0.57 H new ATOM 0 HB3 ALA A 18 -2.766 -2.214 0.736 1.00 0.57 H new ATOM 251 N TYR A 19 -2.368 0.226 3.629 1.00 0.63 N ATOM 252 CA TYR A 19 -1.445 1.172 4.244 1.00 0.81 C ATOM 253 C TYR A 19 -0.455 0.397 5.126 1.00 0.98 C ATOM 254 O TYR A 19 -0.852 -0.242 6.099 1.00 1.32 O ATOM 255 CB TYR A 19 -2.267 2.174 5.076 1.00 0.95 C ATOM 256 CG TYR A 19 -3.407 2.866 4.341 1.00 1.07 C ATOM 257 CD1 TYR A 19 -3.184 3.485 3.099 1.00 2.15 C ATOM 258 CD2 TYR A 19 -4.701 2.901 4.899 1.00 2.03 C ATOM 259 CE1 TYR A 19 -4.243 4.106 2.409 1.00 2.48 C ATOM 260 CE2 TYR A 19 -5.753 3.561 4.239 1.00 2.18 C ATOM 261 CZ TYR A 19 -5.532 4.160 2.981 1.00 1.81 C ATOM 262 OH TYR A 19 -6.528 4.823 2.324 1.00 2.26 O ATOM 0 H TYR A 19 -2.802 -0.391 4.316 1.00 0.63 H new ATOM 0 HA TYR A 19 -0.877 1.719 3.491 1.00 0.81 H new ATOM 0 HB2 TYR A 19 -2.680 1.649 5.937 1.00 0.95 H new ATOM 0 HB3 TYR A 19 -1.592 2.938 5.462 1.00 0.95 H new ATOM 0 HD1 TYR A 19 -2.193 3.484 2.670 1.00 2.15 H new ATOM 0 HD2 TYR A 19 -4.887 2.415 5.845 1.00 2.03 H new ATOM 0 HE1 TYR A 19 -4.068 4.543 1.437 1.00 2.48 H new ATOM 0 HE2 TYR A 19 -6.731 3.609 4.695 1.00 2.18 H new ATOM 0 HH TYR A 19 -6.370 4.776 1.358 1.00 2.26 H new ATOM 272 N LEU A 20 0.835 0.387 4.780 1.00 1.29 N ATOM 273 CA LEU A 20 1.828 -0.523 5.377 1.00 1.32 C ATOM 274 C LEU A 20 3.266 -0.079 5.127 1.00 1.06 C ATOM 275 O LEU A 20 3.516 0.751 4.255 1.00 0.97 O ATOM 276 CB LEU A 20 1.612 -1.976 4.895 1.00 1.49 C ATOM 277 CG LEU A 20 1.840 -2.206 3.380 1.00 1.44 C ATOM 278 CD1 LEU A 20 2.632 -3.497 3.129 1.00 1.98 C ATOM 279 CD2 LEU A 20 0.505 -2.264 2.623 1.00 2.71 C ATOM 0 H LEU A 20 1.226 1.011 4.075 1.00 1.29 H new ATOM 0 HA LEU A 20 1.670 -0.485 6.455 1.00 1.32 H new ATOM 0 HB2 LEU A 20 2.283 -2.631 5.451 1.00 1.49 H new ATOM 0 HB3 LEU A 20 0.594 -2.277 5.143 1.00 1.49 H new ATOM 0 HG LEU A 20 2.419 -1.361 3.008 1.00 1.44 H new ATOM 0 HD11 LEU A 20 2.777 -3.632 2.057 1.00 1.98 H new ATOM 0 HD12 LEU A 20 3.602 -3.430 3.621 1.00 1.98 H new ATOM 0 HD13 LEU A 20 2.080 -4.347 3.531 1.00 1.98 H new ATOM 0 HD21 LEU A 20 0.695 -2.426 1.562 1.00 2.71 H new ATOM 0 HD22 LEU A 20 -0.099 -3.083 3.013 1.00 2.71 H new ATOM 0 HD23 LEU A 20 -0.030 -1.324 2.756 1.00 2.71 H new ATOM 291 N THR A 21 4.230 -0.640 5.854 1.00 1.22 N ATOM 292 CA THR A 21 5.631 -0.248 5.741 1.00 1.38 C ATOM 293 C THR A 21 6.414 -1.091 4.751 1.00 1.61 C ATOM 294 O THR A 21 6.260 -2.306 4.631 1.00 1.77 O ATOM 295 CB THR A 21 6.279 -0.123 7.111 1.00 1.72 C ATOM 296 OG1 THR A 21 7.456 0.626 6.990 1.00 3.29 O ATOM 297 CG2 THR A 21 6.716 -1.410 7.758 1.00 1.74 C ATOM 0 H THR A 21 4.061 -1.378 6.537 1.00 1.22 H new ATOM 0 HA THR A 21 5.655 0.750 5.302 1.00 1.38 H new ATOM 0 HB THR A 21 5.499 0.322 7.728 1.00 1.72 H new ATOM 0 HG1 THR A 21 7.633 1.095 7.832 1.00 3.29 H new ATOM 0 HG21 THR A 21 7.163 -1.196 8.729 1.00 1.74 H new ATOM 0 HG22 THR A 21 5.852 -2.061 7.892 1.00 1.74 H new ATOM 0 HG23 THR A 21 7.450 -1.906 7.122 1.00 1.74 H new ATOM 305 N LEU A 22 7.283 -0.391 4.037 1.00 1.82 N ATOM 306 CA LEU A 22 8.373 -0.951 3.262 1.00 2.14 C ATOM 307 C LEU A 22 9.612 -0.924 4.151 1.00 1.65 C ATOM 308 O LEU A 22 10.008 0.145 4.623 1.00 1.48 O ATOM 309 CB LEU A 22 8.551 -0.093 1.997 1.00 2.68 C ATOM 310 CG LEU A 22 9.202 -0.771 0.780 1.00 3.18 C ATOM 311 CD1 LEU A 22 10.588 -1.372 1.058 1.00 3.50 C ATOM 312 CD2 LEU A 22 8.260 -1.844 0.232 1.00 3.23 C ATOM 0 H LEU A 22 7.243 0.627 3.982 1.00 1.82 H new ATOM 0 HA LEU A 22 8.185 -1.977 2.947 1.00 2.14 H new ATOM 0 HB2 LEU A 22 7.570 0.274 1.696 1.00 2.68 H new ATOM 0 HB3 LEU A 22 9.150 0.779 2.260 1.00 2.68 H new ATOM 0 HG LEU A 22 9.367 0.013 0.041 1.00 3.18 H new ATOM 0 HD11 LEU A 22 10.975 -1.830 0.148 1.00 3.50 H new ATOM 0 HD12 LEU A 22 11.267 -0.585 1.385 1.00 3.50 H new ATOM 0 HD13 LEU A 22 10.507 -2.128 1.839 1.00 3.50 H new ATOM 0 HD21 LEU A 22 8.720 -2.326 -0.631 1.00 3.23 H new ATOM 0 HD22 LEU A 22 8.069 -2.589 1.004 1.00 3.23 H new ATOM 0 HD23 LEU A 22 7.319 -1.383 -0.069 1.00 3.23 H new ATOM 324 N GLU A 23 10.230 -2.081 4.350 1.00 1.57 N ATOM 325 CA GLU A 23 11.534 -2.194 4.992 1.00 1.27 C ATOM 326 C GLU A 23 12.598 -2.646 3.992 1.00 1.24 C ATOM 327 O GLU A 23 12.346 -3.449 3.093 1.00 1.65 O ATOM 328 CB GLU A 23 11.492 -3.121 6.211 1.00 1.56 C ATOM 329 CG GLU A 23 11.133 -4.578 5.903 1.00 2.93 C ATOM 330 CD GLU A 23 11.472 -5.424 7.120 1.00 3.27 C ATOM 331 OE1 GLU A 23 12.675 -5.744 7.264 1.00 3.99 O ATOM 332 OE2 GLU A 23 10.532 -5.675 7.906 1.00 3.80 O ATOM 0 H GLU A 23 9.836 -2.978 4.067 1.00 1.57 H new ATOM 0 HA GLU A 23 11.806 -1.202 5.352 1.00 1.27 H new ATOM 0 HB2 GLU A 23 12.466 -3.098 6.700 1.00 1.56 H new ATOM 0 HB3 GLU A 23 10.768 -2.727 6.924 1.00 1.56 H new ATOM 0 HG2 GLU A 23 10.073 -4.665 5.664 1.00 2.93 H new ATOM 0 HG3 GLU A 23 11.686 -4.929 5.032 1.00 2.93 H new ATOM 339 N ASN A 24 13.804 -2.126 4.179 1.00 0.89 N ATOM 340 CA ASN A 24 14.953 -2.407 3.332 1.00 0.97 C ATOM 341 C ASN A 24 16.102 -2.998 4.170 1.00 0.94 C ATOM 342 O ASN A 24 17.150 -2.365 4.283 1.00 1.11 O ATOM 343 CB ASN A 24 15.289 -1.087 2.610 1.00 1.11 C ATOM 344 CG ASN A 24 16.058 -1.248 1.308 1.00 1.50 C ATOM 345 OD1 ASN A 24 15.774 -0.585 0.330 1.00 3.48 O ATOM 346 ND2 ASN A 24 17.039 -2.123 1.233 1.00 0.88 N ATOM 0 H ASN A 24 14.014 -1.482 4.942 1.00 0.89 H new ATOM 0 HA ASN A 24 14.753 -3.169 2.579 1.00 0.97 H new ATOM 0 HB2 ASN A 24 14.360 -0.556 2.403 1.00 1.11 H new ATOM 0 HB3 ASN A 24 15.872 -0.459 3.284 1.00 1.11 H new ATOM 0 HD21 ASN A 24 17.553 -2.239 0.360 1.00 0.88 H new ATOM 0 HD22 ASN A 24 17.285 -2.684 2.048 1.00 0.88 H new ATOM 353 N PRO A 25 15.946 -4.198 4.763 1.00 1.02 N ATOM 354 CA PRO A 25 16.926 -4.782 5.686 1.00 1.08 C ATOM 355 C PRO A 25 18.297 -5.078 5.054 1.00 1.01 C ATOM 356 O PRO A 25 19.291 -5.143 5.780 1.00 1.18 O ATOM 357 CB PRO A 25 16.262 -6.061 6.216 1.00 1.28 C ATOM 358 CG PRO A 25 15.266 -6.433 5.117 1.00 1.38 C ATOM 359 CD PRO A 25 14.787 -5.069 4.651 1.00 1.26 C ATOM 0 HA PRO A 25 17.164 -4.069 6.475 1.00 1.08 H new ATOM 0 HB2 PRO A 25 16.992 -6.853 6.380 1.00 1.28 H new ATOM 0 HB3 PRO A 25 15.761 -5.887 7.168 1.00 1.28 H new ATOM 0 HG2 PRO A 25 15.738 -6.997 4.312 1.00 1.38 H new ATOM 0 HG3 PRO A 25 14.448 -7.045 5.498 1.00 1.38 H new ATOM 0 HD2 PRO A 25 14.423 -5.109 3.624 1.00 1.26 H new ATOM 0 HD3 PRO A 25 13.963 -4.709 5.268 1.00 1.26 H new ATOM 367 N GLY A 26 18.380 -5.221 3.724 1.00 0.89 N ATOM 368 CA GLY A 26 19.639 -5.386 3.002 1.00 0.95 C ATOM 369 C GLY A 26 20.409 -4.077 2.838 1.00 0.93 C ATOM 370 O GLY A 26 20.080 -3.037 3.405 1.00 1.22 O ATOM 0 H GLY A 26 17.561 -5.225 3.116 1.00 0.89 H new ATOM 0 HA2 GLY A 26 20.264 -6.105 3.532 1.00 0.95 H new ATOM 0 HA3 GLY A 26 19.434 -5.807 2.017 1.00 0.95 H new ATOM 374 N ASP A 27 21.483 -4.163 2.065 1.00 0.97 N ATOM 375 CA ASP A 27 22.564 -3.183 1.988 1.00 1.26 C ATOM 376 C ASP A 27 22.575 -2.416 0.656 1.00 1.24 C ATOM 377 O ASP A 27 23.374 -1.509 0.439 1.00 1.45 O ATOM 378 CB ASP A 27 23.839 -3.998 2.205 1.00 1.59 C ATOM 379 CG ASP A 27 23.885 -4.493 3.652 1.00 2.06 C ATOM 380 OD1 ASP A 27 24.384 -3.752 4.522 1.00 2.83 O ATOM 381 OD2 ASP A 27 23.231 -5.517 3.958 1.00 2.74 O ATOM 0 H ASP A 27 21.634 -4.957 1.443 1.00 0.97 H new ATOM 0 HA ASP A 27 22.451 -2.398 2.736 1.00 1.26 H new ATOM 0 HB2 ASP A 27 23.864 -4.844 1.518 1.00 1.59 H new ATOM 0 HB3 ASP A 27 24.716 -3.387 1.990 1.00 1.59 H new ATOM 386 N LEU A 28 21.632 -2.775 -0.212 1.00 1.02 N ATOM 387 CA LEU A 28 21.345 -2.172 -1.508 1.00 0.97 C ATOM 388 C LEU A 28 19.887 -1.674 -1.549 1.00 0.86 C ATOM 389 O LEU A 28 19.061 -2.187 -0.785 1.00 0.83 O ATOM 390 CB LEU A 28 21.716 -3.200 -2.594 1.00 1.06 C ATOM 391 CG LEU A 28 20.883 -4.502 -2.640 1.00 1.48 C ATOM 392 CD1 LEU A 28 19.582 -4.356 -3.449 1.00 2.06 C ATOM 393 CD2 LEU A 28 21.716 -5.624 -3.280 1.00 1.80 C ATOM 0 H LEU A 28 21.003 -3.553 -0.011 1.00 1.02 H new ATOM 0 HA LEU A 28 21.943 -1.280 -1.693 1.00 0.97 H new ATOM 0 HB2 LEU A 28 21.635 -2.711 -3.565 1.00 1.06 H new ATOM 0 HB3 LEU A 28 22.763 -3.472 -2.460 1.00 1.06 H new ATOM 0 HG LEU A 28 20.617 -4.736 -1.609 1.00 1.48 H new ATOM 0 HD11 LEU A 28 19.042 -5.303 -3.444 1.00 2.06 H new ATOM 0 HD12 LEU A 28 18.960 -3.581 -3.001 1.00 2.06 H new ATOM 0 HD13 LEU A 28 19.821 -4.080 -4.476 1.00 2.06 H new ATOM 0 HD21 LEU A 28 21.128 -6.541 -3.312 1.00 1.80 H new ATOM 0 HD22 LEU A 28 21.995 -5.337 -4.294 1.00 1.80 H new ATOM 0 HD23 LEU A 28 22.617 -5.791 -2.689 1.00 1.80 H new ATOM 405 N PRO A 29 19.557 -0.682 -2.393 1.00 0.88 N ATOM 406 CA PRO A 29 18.249 -0.043 -2.383 1.00 0.84 C ATOM 407 C PRO A 29 17.201 -0.917 -3.068 1.00 0.83 C ATOM 408 O PRO A 29 17.454 -1.527 -4.110 1.00 1.01 O ATOM 409 CB PRO A 29 18.435 1.291 -3.104 1.00 0.91 C ATOM 410 CG PRO A 29 19.576 1.008 -4.080 1.00 1.00 C ATOM 411 CD PRO A 29 20.429 -0.051 -3.373 1.00 1.01 C ATOM 0 HA PRO A 29 17.883 0.108 -1.367 1.00 0.84 H new ATOM 0 HB2 PRO A 29 17.527 1.597 -3.624 1.00 0.91 H new ATOM 0 HB3 PRO A 29 18.689 2.092 -2.409 1.00 0.91 H new ATOM 0 HG2 PRO A 29 19.200 0.642 -5.035 1.00 1.00 H new ATOM 0 HG3 PRO A 29 20.153 1.909 -4.288 1.00 1.00 H new ATOM 0 HD2 PRO A 29 20.810 -0.783 -4.085 1.00 1.01 H new ATOM 0 HD3 PRO A 29 21.294 0.404 -2.890 1.00 1.01 H new ATOM 419 N LEU A 30 16.006 -0.952 -2.476 1.00 0.69 N ATOM 420 CA LEU A 30 14.837 -1.624 -3.037 1.00 0.66 C ATOM 421 C LEU A 30 13.938 -0.679 -3.825 1.00 0.64 C ATOM 422 O LEU A 30 13.817 0.516 -3.560 1.00 0.68 O ATOM 423 CB LEU A 30 14.023 -2.325 -1.935 1.00 0.66 C ATOM 424 CG LEU A 30 14.679 -3.626 -1.449 1.00 0.68 C ATOM 425 CD1 LEU A 30 14.004 -4.093 -0.152 1.00 1.60 C ATOM 426 CD2 LEU A 30 14.601 -4.760 -2.479 1.00 1.53 C ATOM 0 H LEU A 30 15.822 -0.506 -1.577 1.00 0.69 H new ATOM 0 HA LEU A 30 15.218 -2.371 -3.734 1.00 0.66 H new ATOM 0 HB2 LEU A 30 13.903 -1.646 -1.091 1.00 0.66 H new ATOM 0 HB3 LEU A 30 13.024 -2.545 -2.312 1.00 0.66 H new ATOM 0 HG LEU A 30 15.733 -3.400 -1.285 1.00 0.68 H new ATOM 0 HD11 LEU A 30 14.472 -5.016 0.190 1.00 1.60 H new ATOM 0 HD12 LEU A 30 14.115 -3.325 0.613 1.00 1.60 H new ATOM 0 HD13 LEU A 30 12.944 -4.270 -0.337 1.00 1.60 H new ATOM 0 HD21 LEU A 30 15.082 -5.651 -2.076 1.00 1.53 H new ATOM 0 HD22 LEU A 30 13.556 -4.980 -2.700 1.00 1.53 H new ATOM 0 HD23 LEU A 30 15.109 -4.456 -3.394 1.00 1.53 H new ATOM 438 N ARG A 31 13.236 -1.306 -4.765 1.00 0.60 N ATOM 439 CA ARG A 31 12.287 -0.665 -5.678 1.00 0.56 C ATOM 440 C ARG A 31 11.026 -1.500 -5.823 1.00 0.54 C ATOM 441 O ARG A 31 11.029 -2.531 -6.502 1.00 0.59 O ATOM 442 CB ARG A 31 12.964 -0.458 -7.033 1.00 0.55 C ATOM 443 CG ARG A 31 12.047 0.244 -8.053 1.00 0.64 C ATOM 444 CD ARG A 31 12.770 1.239 -8.971 1.00 0.64 C ATOM 445 NE ARG A 31 14.003 0.685 -9.574 1.00 1.46 N ATOM 446 CZ ARG A 31 15.246 1.097 -9.325 1.00 1.26 C ATOM 447 NH1 ARG A 31 15.523 2.022 -8.441 1.00 1.75 N ATOM 448 NH2 ARG A 31 16.258 0.569 -9.975 1.00 2.49 N ATOM 0 H ARG A 31 13.313 -2.311 -4.920 1.00 0.60 H new ATOM 0 HA ARG A 31 11.991 0.302 -5.271 1.00 0.56 H new ATOM 0 HB2 ARG A 31 13.869 0.134 -6.896 1.00 0.55 H new ATOM 0 HB3 ARG A 31 13.272 -1.424 -7.432 1.00 0.55 H new ATOM 0 HG2 ARG A 31 11.561 -0.513 -8.668 1.00 0.64 H new ATOM 0 HG3 ARG A 31 11.260 0.771 -7.514 1.00 0.64 H new ATOM 0 HD2 ARG A 31 12.092 1.549 -9.766 1.00 0.64 H new ATOM 0 HD3 ARG A 31 13.022 2.133 -8.401 1.00 0.64 H new ATOM 0 HE ARG A 31 13.892 -0.080 -10.239 1.00 1.46 H new ATOM 0 HH11 ARG A 31 14.771 2.460 -7.908 1.00 1.75 H new ATOM 0 HH12 ARG A 31 16.490 2.305 -8.285 1.00 1.75 H new ATOM 0 HH21 ARG A 31 16.093 -0.158 -10.672 1.00 2.49 H new ATOM 0 HH22 ARG A 31 17.208 0.886 -9.783 1.00 2.49 H new ATOM 462 N LEU A 32 9.956 -1.079 -5.154 1.00 0.49 N ATOM 463 CA LEU A 32 8.679 -1.777 -5.120 1.00 0.48 C ATOM 464 C LEU A 32 7.845 -1.424 -6.346 1.00 0.48 C ATOM 465 O LEU A 32 7.379 -0.300 -6.464 1.00 0.55 O ATOM 466 CB LEU A 32 7.958 -1.429 -3.817 1.00 0.52 C ATOM 467 CG LEU A 32 6.562 -2.100 -3.767 1.00 0.71 C ATOM 468 CD1 LEU A 32 6.399 -3.001 -2.545 1.00 1.39 C ATOM 469 CD2 LEU A 32 5.450 -1.044 -3.806 1.00 1.98 C ATOM 0 H LEU A 32 9.956 -0.219 -4.606 1.00 0.49 H new ATOM 0 HA LEU A 32 8.841 -2.854 -5.148 1.00 0.48 H new ATOM 0 HB2 LEU A 32 8.555 -1.757 -2.966 1.00 0.52 H new ATOM 0 HB3 LEU A 32 7.850 -0.348 -3.733 1.00 0.52 H new ATOM 0 HG LEU A 32 6.480 -2.732 -4.651 1.00 0.71 H new ATOM 0 HD11 LEU A 32 5.405 -3.449 -2.553 1.00 1.39 H new ATOM 0 HD12 LEU A 32 7.152 -3.788 -2.570 1.00 1.39 H new ATOM 0 HD13 LEU A 32 6.523 -2.410 -1.638 1.00 1.39 H new ATOM 0 HD21 LEU A 32 4.479 -1.537 -3.770 1.00 1.98 H new ATOM 0 HD22 LEU A 32 5.551 -0.378 -2.949 1.00 1.98 H new ATOM 0 HD23 LEU A 32 5.529 -0.466 -4.727 1.00 1.98 H new ATOM 481 N VAL A 33 7.616 -2.405 -7.207 1.00 0.46 N ATOM 482 CA VAL A 33 6.877 -2.266 -8.472 1.00 0.52 C ATOM 483 C VAL A 33 5.446 -2.835 -8.367 1.00 0.52 C ATOM 484 O VAL A 33 4.599 -2.509 -9.196 1.00 0.60 O ATOM 485 CB VAL A 33 7.631 -2.973 -9.629 1.00 0.61 C ATOM 486 CG1 VAL A 33 9.024 -2.358 -9.871 1.00 0.65 C ATOM 487 CG2 VAL A 33 7.830 -4.486 -9.395 1.00 0.61 C ATOM 0 H VAL A 33 7.948 -3.356 -7.047 1.00 0.46 H new ATOM 0 HA VAL A 33 6.806 -1.199 -8.683 1.00 0.52 H new ATOM 0 HB VAL A 33 6.990 -2.826 -10.498 1.00 0.61 H new ATOM 0 HG11 VAL A 33 9.516 -2.883 -10.689 1.00 0.65 H new ATOM 0 HG12 VAL A 33 8.917 -1.304 -10.129 1.00 0.65 H new ATOM 0 HG13 VAL A 33 9.625 -2.451 -8.966 1.00 0.65 H new ATOM 0 HG21 VAL A 33 8.364 -4.918 -10.242 1.00 0.61 H new ATOM 0 HG22 VAL A 33 8.409 -4.640 -8.484 1.00 0.61 H new ATOM 0 HG23 VAL A 33 6.858 -4.969 -9.294 1.00 0.61 H new ATOM 497 N GLY A 34 5.173 -3.704 -7.376 1.00 0.47 N ATOM 498 CA GLY A 34 3.850 -4.311 -7.162 1.00 0.52 C ATOM 499 C GLY A 34 3.594 -4.841 -5.754 1.00 0.51 C ATOM 500 O GLY A 34 4.426 -4.749 -4.850 1.00 0.49 O ATOM 0 H GLY A 34 5.872 -4.006 -6.697 1.00 0.47 H new ATOM 0 HA2 GLY A 34 3.086 -3.570 -7.397 1.00 0.52 H new ATOM 0 HA3 GLY A 34 3.727 -5.131 -7.869 1.00 0.52 H new ATOM 504 N ALA A 35 2.431 -5.467 -5.616 1.00 0.56 N ATOM 505 CA ALA A 35 2.057 -6.347 -4.511 1.00 0.55 C ATOM 506 C ALA A 35 1.285 -7.571 -5.042 1.00 0.53 C ATOM 507 O ALA A 35 1.070 -7.700 -6.248 1.00 0.55 O ATOM 508 CB ALA A 35 1.249 -5.537 -3.494 1.00 0.56 C ATOM 0 H ALA A 35 1.685 -5.371 -6.305 1.00 0.56 H new ATOM 0 HA ALA A 35 2.944 -6.734 -4.010 1.00 0.55 H new ATOM 0 HB1 ALA A 35 0.962 -6.180 -2.662 1.00 0.56 H new ATOM 0 HB2 ALA A 35 1.856 -4.711 -3.122 1.00 0.56 H new ATOM 0 HB3 ALA A 35 0.353 -5.142 -3.973 1.00 0.56 H new ATOM 514 N ARG A 36 0.860 -8.462 -4.141 1.00 0.54 N ATOM 515 CA ARG A 36 -0.033 -9.595 -4.406 1.00 0.57 C ATOM 516 C ARG A 36 -0.638 -10.011 -3.064 1.00 0.70 C ATOM 517 O ARG A 36 0.036 -9.905 -2.047 1.00 1.10 O ATOM 518 CB ARG A 36 0.745 -10.720 -5.127 1.00 0.66 C ATOM 519 CG ARG A 36 0.015 -12.071 -5.157 1.00 1.68 C ATOM 520 CD ARG A 36 0.832 -13.138 -5.895 1.00 1.87 C ATOM 521 NE ARG A 36 0.094 -14.416 -5.942 1.00 2.86 N ATOM 522 CZ ARG A 36 -0.253 -15.120 -7.018 1.00 3.21 C ATOM 523 NH1 ARG A 36 0.140 -14.792 -8.230 1.00 3.56 N ATOM 524 NH2 ARG A 36 -1.020 -16.183 -6.886 1.00 4.39 N ATOM 0 H ARG A 36 1.142 -8.411 -3.162 1.00 0.54 H new ATOM 0 HA ARG A 36 -0.849 -9.336 -5.080 1.00 0.57 H new ATOM 0 HB2 ARG A 36 0.949 -10.407 -6.151 1.00 0.66 H new ATOM 0 HB3 ARG A 36 1.709 -10.852 -4.636 1.00 0.66 H new ATOM 0 HG2 ARG A 36 -0.180 -12.402 -4.137 1.00 1.68 H new ATOM 0 HG3 ARG A 36 -0.953 -11.952 -5.644 1.00 1.68 H new ATOM 0 HD2 ARG A 36 1.051 -12.800 -6.908 1.00 1.87 H new ATOM 0 HD3 ARG A 36 1.789 -13.282 -5.394 1.00 1.87 H new ATOM 0 HE ARG A 36 -0.184 -14.807 -5.042 1.00 2.86 H new ATOM 0 HH11 ARG A 36 0.732 -13.973 -8.370 1.00 3.56 H new ATOM 0 HH12 ARG A 36 -0.147 -15.357 -9.029 1.00 3.56 H new ATOM 0 HH21 ARG A 36 -1.346 -16.465 -5.962 1.00 4.39 H new ATOM 0 HH22 ARG A 36 -1.287 -16.724 -7.708 1.00 4.39 H new ATOM 538 N THR A 37 -1.884 -10.485 -3.042 1.00 0.49 N ATOM 539 CA THR A 37 -2.633 -10.838 -1.824 1.00 0.52 C ATOM 540 C THR A 37 -3.809 -11.727 -2.221 1.00 0.47 C ATOM 541 O THR A 37 -4.283 -11.581 -3.346 1.00 0.49 O ATOM 542 CB THR A 37 -3.064 -9.565 -1.074 1.00 0.65 C ATOM 543 OG1 THR A 37 -3.945 -9.868 -0.029 1.00 0.73 O ATOM 544 CG2 THR A 37 -3.777 -8.517 -1.935 1.00 0.71 C ATOM 0 H THR A 37 -2.421 -10.641 -3.895 1.00 0.49 H new ATOM 0 HA THR A 37 -2.006 -11.398 -1.130 1.00 0.52 H new ATOM 0 HB THR A 37 -2.120 -9.148 -0.723 1.00 0.65 H new ATOM 0 HG1 THR A 37 -3.451 -9.899 0.817 1.00 0.73 H new ATOM 0 HG21 THR A 37 -4.041 -7.658 -1.318 1.00 0.71 H new ATOM 0 HG22 THR A 37 -3.116 -8.196 -2.740 1.00 0.71 H new ATOM 0 HG23 THR A 37 -4.682 -8.950 -2.360 1.00 0.71 H new ATOM 552 N PRO A 38 -4.293 -12.637 -1.357 1.00 0.52 N ATOM 553 CA PRO A 38 -5.417 -13.500 -1.703 1.00 0.55 C ATOM 554 C PRO A 38 -6.753 -12.756 -1.780 1.00 0.54 C ATOM 555 O PRO A 38 -7.720 -13.308 -2.295 1.00 0.67 O ATOM 556 CB PRO A 38 -5.422 -14.593 -0.635 1.00 0.64 C ATOM 557 CG PRO A 38 -4.740 -13.962 0.574 1.00 0.68 C ATOM 558 CD PRO A 38 -3.747 -12.988 -0.055 1.00 0.65 C ATOM 0 HA PRO A 38 -5.298 -13.910 -2.706 1.00 0.55 H new ATOM 0 HB2 PRO A 38 -6.438 -14.908 -0.396 1.00 0.64 H new ATOM 0 HB3 PRO A 38 -4.885 -15.479 -0.974 1.00 0.64 H new ATOM 0 HG2 PRO A 38 -5.455 -13.449 1.217 1.00 0.68 H new ATOM 0 HG3 PRO A 38 -4.237 -14.709 1.188 1.00 0.68 H new ATOM 0 HD2 PRO A 38 -3.624 -12.102 0.567 1.00 0.65 H new ATOM 0 HD3 PRO A 38 -2.763 -13.446 -0.156 1.00 0.65 H new ATOM 566 N VAL A 39 -6.814 -11.521 -1.274 1.00 0.51 N ATOM 567 CA VAL A 39 -8.066 -10.747 -1.142 1.00 0.58 C ATOM 568 C VAL A 39 -8.136 -9.521 -2.063 1.00 0.59 C ATOM 569 O VAL A 39 -8.713 -8.497 -1.701 1.00 0.68 O ATOM 570 CB VAL A 39 -8.351 -10.381 0.324 1.00 0.69 C ATOM 571 CG1 VAL A 39 -8.415 -11.649 1.188 1.00 0.86 C ATOM 572 CG2 VAL A 39 -7.288 -9.437 0.889 1.00 0.68 C ATOM 0 H VAL A 39 -5.991 -11.020 -0.939 1.00 0.51 H new ATOM 0 HA VAL A 39 -8.862 -11.409 -1.483 1.00 0.58 H new ATOM 0 HB VAL A 39 -9.313 -9.869 0.349 1.00 0.69 H new ATOM 0 HG11 VAL A 39 -8.617 -11.374 2.223 1.00 0.86 H new ATOM 0 HG12 VAL A 39 -9.211 -12.298 0.823 1.00 0.86 H new ATOM 0 HG13 VAL A 39 -7.462 -12.176 1.132 1.00 0.86 H new ATOM 0 HG21 VAL A 39 -7.525 -9.202 1.927 1.00 0.68 H new ATOM 0 HG22 VAL A 39 -6.311 -9.918 0.840 1.00 0.68 H new ATOM 0 HG23 VAL A 39 -7.270 -8.518 0.304 1.00 0.68 H new ATOM 582 N ALA A 40 -7.590 -9.638 -3.276 1.00 0.58 N ATOM 583 CA ALA A 40 -7.732 -8.668 -4.368 1.00 0.62 C ATOM 584 C ALA A 40 -7.380 -9.353 -5.700 1.00 0.71 C ATOM 585 O ALA A 40 -6.448 -10.153 -5.761 1.00 1.03 O ATOM 586 CB ALA A 40 -6.821 -7.464 -4.105 1.00 0.72 C ATOM 0 H ALA A 40 -7.016 -10.440 -3.535 1.00 0.58 H new ATOM 0 HA ALA A 40 -8.760 -8.310 -4.424 1.00 0.62 H new ATOM 0 HB1 ALA A 40 -6.927 -6.744 -4.916 1.00 0.72 H new ATOM 0 HB2 ALA A 40 -7.103 -6.993 -3.163 1.00 0.72 H new ATOM 0 HB3 ALA A 40 -5.785 -7.797 -4.048 1.00 0.72 H new ATOM 592 N GLU A 41 -8.136 -9.040 -6.752 1.00 0.65 N ATOM 593 CA GLU A 41 -8.011 -9.630 -8.090 1.00 0.79 C ATOM 594 C GLU A 41 -7.139 -8.737 -8.987 1.00 0.73 C ATOM 595 O GLU A 41 -6.250 -9.202 -9.697 1.00 0.91 O ATOM 596 CB GLU A 41 -9.438 -9.770 -8.626 1.00 1.09 C ATOM 597 CG GLU A 41 -9.618 -10.662 -9.859 1.00 1.35 C ATOM 598 CD GLU A 41 -11.012 -11.288 -9.791 1.00 2.32 C ATOM 599 OE1 GLU A 41 -11.984 -10.560 -9.485 1.00 3.61 O ATOM 600 OE2 GLU A 41 -11.100 -12.533 -9.733 1.00 2.71 O ATOM 0 H GLU A 41 -8.880 -8.344 -6.697 1.00 0.65 H new ATOM 0 HA GLU A 41 -7.520 -10.603 -8.066 1.00 0.79 H new ATOM 0 HB2 GLU A 41 -10.067 -10.162 -7.826 1.00 1.09 H new ATOM 0 HB3 GLU A 41 -9.812 -8.775 -8.867 1.00 1.09 H new ATOM 0 HG2 GLU A 41 -9.507 -10.077 -10.772 1.00 1.35 H new ATOM 0 HG3 GLU A 41 -8.853 -11.438 -9.883 1.00 1.35 H new ATOM 607 N ARG A 42 -7.336 -7.421 -8.852 1.00 0.69 N ATOM 608 CA ARG A 42 -6.372 -6.374 -9.169 1.00 0.67 C ATOM 609 C ARG A 42 -5.804 -5.848 -7.850 1.00 0.67 C ATOM 610 O ARG A 42 -6.562 -5.435 -6.975 1.00 0.75 O ATOM 611 CB ARG A 42 -7.082 -5.215 -9.881 1.00 0.92 C ATOM 612 CG ARG A 42 -7.454 -5.508 -11.340 1.00 1.23 C ATOM 613 CD ARG A 42 -8.479 -4.492 -11.866 1.00 1.94 C ATOM 614 NE ARG A 42 -7.987 -3.098 -11.825 1.00 3.30 N ATOM 615 CZ ARG A 42 -7.883 -2.234 -12.825 1.00 4.07 C ATOM 616 NH1 ARG A 42 -8.089 -2.560 -14.084 1.00 3.88 N ATOM 617 NH2 ARG A 42 -7.561 -0.996 -12.551 1.00 5.82 N ATOM 0 H ARG A 42 -8.216 -7.044 -8.501 1.00 0.69 H new ATOM 0 HA ARG A 42 -5.587 -6.772 -9.812 1.00 0.67 H new ATOM 0 HB2 ARG A 42 -7.988 -4.965 -9.330 1.00 0.92 H new ATOM 0 HB3 ARG A 42 -6.438 -4.336 -9.851 1.00 0.92 H new ATOM 0 HG2 ARG A 42 -6.558 -5.479 -11.960 1.00 1.23 H new ATOM 0 HG3 ARG A 42 -7.863 -6.515 -11.419 1.00 1.23 H new ATOM 0 HD2 ARG A 42 -8.742 -4.748 -12.892 1.00 1.94 H new ATOM 0 HD3 ARG A 42 -9.392 -4.566 -11.275 1.00 1.94 H new ATOM 0 HE ARG A 42 -7.690 -2.758 -10.910 1.00 3.30 H new ATOM 0 HH11 ARG A 42 -8.342 -3.517 -14.328 1.00 3.88 H new ATOM 0 HH12 ARG A 42 -7.996 -1.855 -14.815 1.00 3.88 H new ATOM 0 HH21 ARG A 42 -7.396 -0.714 -11.585 1.00 5.82 H new ATOM 0 HH22 ARG A 42 -7.475 -0.313 -13.304 1.00 5.82 H new ATOM 631 N VAL A 43 -4.481 -5.788 -7.745 1.00 0.85 N ATOM 632 CA VAL A 43 -3.785 -4.863 -6.839 1.00 0.79 C ATOM 633 C VAL A 43 -3.026 -3.850 -7.689 1.00 0.90 C ATOM 634 O VAL A 43 -2.480 -4.190 -8.739 1.00 1.25 O ATOM 635 CB VAL A 43 -2.875 -5.566 -5.808 1.00 0.84 C ATOM 636 CG1 VAL A 43 -1.663 -6.272 -6.434 1.00 1.12 C ATOM 637 CG2 VAL A 43 -2.385 -4.602 -4.711 1.00 0.71 C ATOM 0 H VAL A 43 -3.852 -6.381 -8.287 1.00 0.85 H new ATOM 0 HA VAL A 43 -4.528 -4.354 -6.226 1.00 0.79 H new ATOM 0 HB VAL A 43 -3.512 -6.330 -5.362 1.00 0.84 H new ATOM 0 HG11 VAL A 43 -1.071 -6.743 -5.649 1.00 1.12 H new ATOM 0 HG12 VAL A 43 -2.007 -7.033 -7.135 1.00 1.12 H new ATOM 0 HG13 VAL A 43 -1.050 -5.542 -6.963 1.00 1.12 H new ATOM 0 HG21 VAL A 43 -1.749 -5.142 -4.010 1.00 0.71 H new ATOM 0 HG22 VAL A 43 -1.816 -3.791 -5.167 1.00 0.71 H new ATOM 0 HG23 VAL A 43 -3.243 -4.190 -4.179 1.00 0.71 H new ATOM 647 N GLU A 44 -3.067 -2.602 -7.245 1.00 0.75 N ATOM 648 CA GLU A 44 -2.538 -1.420 -7.912 1.00 0.74 C ATOM 649 C GLU A 44 -1.717 -0.625 -6.899 1.00 0.74 C ATOM 650 O GLU A 44 -1.942 -0.718 -5.690 1.00 1.02 O ATOM 651 CB GLU A 44 -3.702 -0.552 -8.420 1.00 0.85 C ATOM 652 CG GLU A 44 -4.532 -1.241 -9.513 1.00 1.55 C ATOM 653 CD GLU A 44 -5.869 -0.542 -9.755 1.00 2.19 C ATOM 654 OE1 GLU A 44 -5.894 0.708 -9.799 1.00 2.68 O ATOM 655 OE2 GLU A 44 -6.868 -1.275 -9.960 1.00 3.26 O ATOM 0 H GLU A 44 -3.499 -2.373 -6.350 1.00 0.75 H new ATOM 0 HA GLU A 44 -1.916 -1.712 -8.758 1.00 0.74 H new ATOM 0 HB2 GLU A 44 -4.352 -0.300 -7.582 1.00 0.85 H new ATOM 0 HB3 GLU A 44 -3.306 0.386 -8.809 1.00 0.85 H new ATOM 0 HG2 GLU A 44 -3.961 -1.260 -10.442 1.00 1.55 H new ATOM 0 HG3 GLU A 44 -4.713 -2.278 -9.229 1.00 1.55 H new ATOM 662 N LEU A 45 -0.775 0.179 -7.387 1.00 0.66 N ATOM 663 CA LEU A 45 0.080 1.028 -6.563 1.00 0.66 C ATOM 664 C LEU A 45 -0.223 2.500 -6.848 1.00 0.61 C ATOM 665 O LEU A 45 -0.102 2.955 -7.987 1.00 0.69 O ATOM 666 CB LEU A 45 1.535 0.663 -6.875 1.00 0.96 C ATOM 667 CG LEU A 45 2.554 1.458 -6.041 1.00 0.57 C ATOM 668 CD1 LEU A 45 2.544 1.056 -4.563 1.00 0.98 C ATOM 669 CD2 LEU A 45 3.937 1.185 -6.628 1.00 1.00 C ATOM 0 H LEU A 45 -0.582 0.260 -8.385 1.00 0.66 H new ATOM 0 HA LEU A 45 -0.105 0.869 -5.501 1.00 0.66 H new ATOM 0 HB2 LEU A 45 1.681 -0.402 -6.696 1.00 0.96 H new ATOM 0 HB3 LEU A 45 1.727 0.838 -7.934 1.00 0.96 H new ATOM 0 HG LEU A 45 2.293 2.515 -6.083 1.00 0.57 H new ATOM 0 HD11 LEU A 45 3.281 1.647 -4.020 1.00 0.98 H new ATOM 0 HD12 LEU A 45 1.554 1.236 -4.144 1.00 0.98 H new ATOM 0 HD13 LEU A 45 2.789 -0.002 -4.472 1.00 0.98 H new ATOM 0 HD21 LEU A 45 4.688 1.734 -6.060 1.00 1.00 H new ATOM 0 HD22 LEU A 45 4.151 0.117 -6.575 1.00 1.00 H new ATOM 0 HD23 LEU A 45 3.961 1.508 -7.669 1.00 1.00 H new ATOM 681 N HIS A 46 -0.615 3.243 -5.814 1.00 0.57 N ATOM 682 CA HIS A 46 -1.049 4.637 -5.890 1.00 0.58 C ATOM 683 C HIS A 46 -0.262 5.603 -4.978 1.00 0.56 C ATOM 684 O HIS A 46 0.344 5.247 -3.963 1.00 0.57 O ATOM 685 CB HIS A 46 -2.547 4.727 -5.506 1.00 0.59 C ATOM 686 CG HIS A 46 -3.597 4.123 -6.410 1.00 0.61 C ATOM 687 ND1 HIS A 46 -4.954 4.153 -6.127 1.00 0.55 N ATOM 688 CD2 HIS A 46 -3.441 3.437 -7.581 1.00 0.72 C ATOM 689 CE1 HIS A 46 -5.583 3.508 -7.114 1.00 0.61 C ATOM 690 NE2 HIS A 46 -4.697 3.045 -8.010 1.00 0.73 N ATOM 0 H HIS A 46 -0.640 2.876 -4.863 1.00 0.57 H new ATOM 0 HA HIS A 46 -0.864 4.948 -6.918 1.00 0.58 H new ATOM 0 HB2 HIS A 46 -2.659 4.264 -4.525 1.00 0.59 H new ATOM 0 HB3 HIS A 46 -2.789 5.783 -5.389 1.00 0.59 H new ATOM 0 HD1 HIS A 46 -5.392 4.588 -5.315 1.00 0.55 H new ATOM 0 HD2 HIS A 46 -2.505 3.237 -8.082 1.00 0.72 H new ATOM 0 HE1 HIS A 46 -6.653 3.378 -7.181 1.00 0.61 H new ATOM 0 HE2 HIS A 46 -4.910 2.506 -8.849 1.00 0.73 H new ATOM 698 N GLU A 47 -0.387 6.874 -5.337 1.00 0.63 N ATOM 699 CA GLU A 47 -0.126 8.068 -4.534 1.00 0.69 C ATOM 700 C GLU A 47 -1.444 8.723 -4.061 1.00 0.75 C ATOM 701 O GLU A 47 -2.474 8.595 -4.730 1.00 0.92 O ATOM 702 CB GLU A 47 0.726 9.044 -5.368 1.00 0.93 C ATOM 703 CG GLU A 47 0.029 9.574 -6.627 1.00 1.26 C ATOM 704 CD GLU A 47 0.774 10.704 -7.336 1.00 1.61 C ATOM 705 OE1 GLU A 47 1.970 10.581 -7.674 1.00 2.40 O ATOM 706 OE2 GLU A 47 0.090 11.696 -7.668 1.00 2.59 O ATOM 0 H GLU A 47 -0.700 7.120 -6.276 1.00 0.63 H new ATOM 0 HA GLU A 47 0.423 7.792 -3.634 1.00 0.69 H new ATOM 0 HB2 GLU A 47 1.008 9.889 -4.740 1.00 0.93 H new ATOM 0 HB3 GLU A 47 1.648 8.543 -5.661 1.00 0.93 H new ATOM 0 HG2 GLU A 47 -0.105 8.749 -7.327 1.00 1.26 H new ATOM 0 HG3 GLU A 47 -0.966 9.926 -6.355 1.00 1.26 H new ATOM 713 N THR A 48 -1.385 9.469 -2.951 1.00 0.76 N ATOM 714 CA THR A 48 -2.351 10.501 -2.540 1.00 0.70 C ATOM 715 C THR A 48 -1.544 11.798 -2.394 1.00 0.74 C ATOM 716 O THR A 48 -0.381 11.735 -1.992 1.00 0.85 O ATOM 717 CB THR A 48 -3.003 10.139 -1.196 1.00 0.66 C ATOM 718 OG1 THR A 48 -3.720 8.932 -1.278 1.00 0.72 O ATOM 719 CG2 THR A 48 -3.989 11.188 -0.678 1.00 0.74 C ATOM 0 H THR A 48 -0.624 9.366 -2.280 1.00 0.76 H new ATOM 0 HA THR A 48 -3.154 10.598 -3.271 1.00 0.70 H new ATOM 0 HB THR A 48 -2.159 10.066 -0.510 1.00 0.66 H new ATOM 0 HG1 THR A 48 -4.121 8.730 -0.407 1.00 0.72 H new ATOM 0 HG21 THR A 48 -4.405 10.858 0.274 1.00 0.74 H new ATOM 0 HG22 THR A 48 -3.471 12.137 -0.538 1.00 0.74 H new ATOM 0 HG23 THR A 48 -4.795 11.318 -1.400 1.00 0.74 H new ATOM 727 N PHE A 49 -2.127 12.962 -2.680 1.00 0.70 N ATOM 728 CA PHE A 49 -1.420 14.252 -2.696 1.00 0.75 C ATOM 729 C PHE A 49 -2.362 15.450 -2.504 1.00 0.86 C ATOM 730 O PHE A 49 -3.578 15.307 -2.389 1.00 0.80 O ATOM 731 CB PHE A 49 -0.613 14.382 -4.001 1.00 0.82 C ATOM 732 CG PHE A 49 -1.472 14.370 -5.251 1.00 0.89 C ATOM 733 CD1 PHE A 49 -1.867 13.143 -5.810 1.00 2.32 C ATOM 734 CD2 PHE A 49 -1.905 15.574 -5.839 1.00 1.73 C ATOM 735 CE1 PHE A 49 -2.703 13.118 -6.931 1.00 2.39 C ATOM 736 CE2 PHE A 49 -2.737 15.548 -6.973 1.00 1.75 C ATOM 737 CZ PHE A 49 -3.142 14.314 -7.520 1.00 1.10 C ATOM 0 H PHE A 49 -3.117 13.041 -2.911 1.00 0.70 H new ATOM 0 HA PHE A 49 -0.739 14.267 -1.845 1.00 0.75 H new ATOM 0 HB2 PHE A 49 -0.040 15.309 -3.973 1.00 0.82 H new ATOM 0 HB3 PHE A 49 0.106 13.565 -4.057 1.00 0.82 H new ATOM 0 HD1 PHE A 49 -1.524 12.217 -5.373 1.00 2.32 H new ATOM 0 HD2 PHE A 49 -1.598 16.520 -5.418 1.00 1.73 H new ATOM 0 HE1 PHE A 49 -3.013 12.171 -7.347 1.00 2.39 H new ATOM 0 HE2 PHE A 49 -3.065 16.473 -7.424 1.00 1.75 H new ATOM 0 HZ PHE A 49 -3.786 14.289 -8.387 1.00 1.10 H new ATOM 747 N MET A 50 -1.790 16.659 -2.471 1.00 1.06 N ATOM 748 CA MET A 50 -2.492 17.926 -2.288 1.00 1.06 C ATOM 749 C MET A 50 -2.454 18.780 -3.564 1.00 1.05 C ATOM 750 O MET A 50 -1.398 18.980 -4.161 1.00 0.99 O ATOM 751 CB MET A 50 -1.833 18.664 -1.114 1.00 1.18 C ATOM 752 CG MET A 50 -2.524 20.003 -0.869 1.00 2.20 C ATOM 753 SD MET A 50 -1.948 20.935 0.572 1.00 2.44 S ATOM 754 CE MET A 50 -0.249 21.285 0.048 1.00 3.62 C ATOM 0 H MET A 50 -0.783 16.782 -2.576 1.00 1.06 H new ATOM 0 HA MET A 50 -3.543 17.736 -2.073 1.00 1.06 H new ATOM 0 HB2 MET A 50 -1.887 18.050 -0.215 1.00 1.18 H new ATOM 0 HB3 MET A 50 -0.776 18.827 -1.326 1.00 1.18 H new ATOM 0 HG2 MET A 50 -2.395 20.624 -1.755 1.00 2.20 H new ATOM 0 HG3 MET A 50 -3.593 19.824 -0.758 1.00 2.20 H new ATOM 0 HE1 MET A 50 0.209 21.989 0.743 1.00 3.62 H new ATOM 0 HE2 MET A 50 0.326 20.359 0.037 1.00 3.62 H new ATOM 0 HE3 MET A 50 -0.259 21.718 -0.952 1.00 3.62 H new ATOM 764 N ARG A 51 -3.604 19.355 -3.923 1.00 1.14 N ATOM 765 CA ARG A 51 -3.738 20.492 -4.837 1.00 0.92 C ATOM 766 C ARG A 51 -4.185 21.750 -4.082 1.00 0.78 C ATOM 767 O ARG A 51 -5.053 21.684 -3.205 1.00 0.85 O ATOM 768 CB ARG A 51 -4.792 20.216 -5.921 1.00 1.21 C ATOM 769 CG ARG A 51 -4.303 19.243 -7.004 1.00 1.44 C ATOM 770 CD ARG A 51 -5.178 19.319 -8.264 1.00 2.11 C ATOM 771 NE ARG A 51 -5.049 20.637 -8.924 1.00 3.03 N ATOM 772 CZ ARG A 51 -4.645 20.905 -10.159 1.00 3.57 C ATOM 773 NH1 ARG A 51 -4.366 19.956 -11.034 1.00 3.81 N ATOM 774 NH2 ARG A 51 -4.515 22.164 -10.522 1.00 4.77 N ATOM 0 H ARG A 51 -4.504 19.028 -3.571 1.00 1.14 H new ATOM 0 HA ARG A 51 -2.759 20.642 -5.291 1.00 0.92 H new ATOM 0 HB2 ARG A 51 -5.688 19.808 -5.453 1.00 1.21 H new ATOM 0 HB3 ARG A 51 -5.078 21.158 -6.390 1.00 1.21 H new ATOM 0 HG2 ARG A 51 -3.270 19.474 -7.263 1.00 1.44 H new ATOM 0 HG3 ARG A 51 -4.314 18.226 -6.613 1.00 1.44 H new ATOM 0 HD2 ARG A 51 -4.889 18.531 -8.959 1.00 2.11 H new ATOM 0 HD3 ARG A 51 -6.220 19.143 -7.998 1.00 2.11 H new ATOM 0 HE ARG A 51 -5.304 21.445 -8.356 1.00 3.03 H new ATOM 0 HH11 ARG A 51 -4.458 18.975 -10.769 1.00 3.81 H new ATOM 0 HH12 ARG A 51 -4.058 20.204 -11.974 1.00 3.81 H new ATOM 0 HH21 ARG A 51 -4.724 22.910 -9.859 1.00 4.77 H new ATOM 0 HH22 ARG A 51 -4.206 22.393 -11.467 1.00 4.77 H new ATOM 788 N GLU A 52 -3.673 22.904 -4.504 1.00 1.00 N ATOM 789 CA GLU A 52 -4.346 24.180 -4.417 1.00 1.21 C ATOM 790 C GLU A 52 -5.215 24.367 -5.675 1.00 1.27 C ATOM 791 O GLU A 52 -4.811 23.954 -6.767 1.00 1.22 O ATOM 792 CB GLU A 52 -3.236 25.235 -4.406 1.00 1.46 C ATOM 793 CG GLU A 52 -3.737 26.612 -4.011 1.00 1.74 C ATOM 794 CD GLU A 52 -3.720 26.763 -2.499 1.00 1.90 C ATOM 795 OE1 GLU A 52 -2.668 27.131 -1.930 1.00 2.99 O ATOM 796 OE2 GLU A 52 -4.758 26.419 -1.905 1.00 1.79 O ATOM 0 H GLU A 52 -2.748 22.969 -4.928 1.00 1.00 H new ATOM 0 HA GLU A 52 -4.982 24.254 -3.535 1.00 1.21 H new ATOM 0 HB2 GLU A 52 -2.454 24.925 -3.713 1.00 1.46 H new ATOM 0 HB3 GLU A 52 -2.782 25.289 -5.396 1.00 1.46 H new ATOM 0 HG2 GLU A 52 -3.112 27.379 -4.467 1.00 1.74 H new ATOM 0 HG3 GLU A 52 -4.749 26.760 -4.387 1.00 1.74 H new ATOM 803 N VAL A 53 -6.371 25.016 -5.530 1.00 1.49 N ATOM 804 CA VAL A 53 -7.163 25.635 -6.607 1.00 1.79 C ATOM 805 C VAL A 53 -7.779 26.916 -6.022 1.00 2.10 C ATOM 806 O VAL A 53 -8.455 26.823 -5.006 1.00 2.11 O ATOM 807 CB VAL A 53 -8.276 24.677 -7.118 1.00 1.86 C ATOM 808 CG1 VAL A 53 -9.121 25.339 -8.218 1.00 2.73 C ATOM 809 CG2 VAL A 53 -7.716 23.356 -7.687 1.00 2.24 C ATOM 0 H VAL A 53 -6.807 25.133 -4.615 1.00 1.49 H new ATOM 0 HA VAL A 53 -6.529 25.857 -7.465 1.00 1.79 H new ATOM 0 HB VAL A 53 -8.888 24.456 -6.244 1.00 1.86 H new ATOM 0 HG11 VAL A 53 -9.890 24.644 -8.554 1.00 2.73 H new ATOM 0 HG12 VAL A 53 -9.593 26.239 -7.823 1.00 2.73 H new ATOM 0 HG13 VAL A 53 -8.480 25.605 -9.059 1.00 2.73 H new ATOM 0 HG21 VAL A 53 -8.540 22.729 -8.028 1.00 2.24 H new ATOM 0 HG22 VAL A 53 -7.054 23.573 -8.525 1.00 2.24 H new ATOM 0 HG23 VAL A 53 -7.159 22.833 -6.910 1.00 2.24 H new ATOM 819 N GLU A 54 -7.503 28.101 -6.587 1.00 2.58 N ATOM 820 CA GLU A 54 -8.034 29.415 -6.139 1.00 2.93 C ATOM 821 C GLU A 54 -7.591 29.852 -4.716 1.00 2.83 C ATOM 822 O GLU A 54 -8.238 30.695 -4.098 1.00 3.05 O ATOM 823 CB GLU A 54 -9.578 29.454 -6.211 1.00 3.06 C ATOM 824 CG GLU A 54 -10.228 29.235 -7.585 1.00 3.33 C ATOM 825 CD GLU A 54 -11.719 28.991 -7.362 1.00 3.38 C ATOM 826 OE1 GLU A 54 -12.078 27.831 -7.056 1.00 3.23 O ATOM 827 OE2 GLU A 54 -12.500 29.963 -7.243 1.00 4.21 O ATOM 0 H GLU A 54 -6.885 28.183 -7.395 1.00 2.58 H new ATOM 0 HA GLU A 54 -7.595 30.126 -6.839 1.00 2.93 H new ATOM 0 HB2 GLU A 54 -9.966 28.696 -5.530 1.00 3.06 H new ATOM 0 HB3 GLU A 54 -9.908 30.421 -5.833 1.00 3.06 H new ATOM 0 HG2 GLU A 54 -10.075 30.105 -8.223 1.00 3.33 H new ATOM 0 HG3 GLU A 54 -9.773 28.384 -8.092 1.00 3.33 H new ATOM 834 N GLY A 55 -6.528 29.263 -4.155 1.00 2.60 N ATOM 835 CA GLY A 55 -6.174 29.434 -2.730 1.00 2.57 C ATOM 836 C GLY A 55 -7.021 28.562 -1.791 1.00 2.13 C ATOM 837 O GLY A 55 -7.154 28.856 -0.603 1.00 2.17 O ATOM 0 H GLY A 55 -5.888 28.656 -4.668 1.00 2.60 H new ATOM 0 HA2 GLY A 55 -5.121 29.190 -2.591 1.00 2.57 H new ATOM 0 HA3 GLY A 55 -6.298 30.481 -2.454 1.00 2.57 H new ATOM 841 N LYS A 56 -7.611 27.496 -2.335 1.00 1.80 N ATOM 842 CA LYS A 56 -8.440 26.505 -1.659 1.00 1.46 C ATOM 843 C LYS A 56 -7.767 25.135 -1.840 1.00 1.21 C ATOM 844 O LYS A 56 -7.446 24.709 -2.956 1.00 1.25 O ATOM 845 CB LYS A 56 -9.876 26.466 -2.236 1.00 1.55 C ATOM 846 CG LYS A 56 -10.536 27.834 -2.502 1.00 1.95 C ATOM 847 CD LYS A 56 -11.799 27.655 -3.358 1.00 2.11 C ATOM 848 CE LYS A 56 -12.338 29.015 -3.821 1.00 2.98 C ATOM 849 NZ LYS A 56 -13.339 28.852 -4.903 1.00 3.21 N ATOM 0 H LYS A 56 -7.513 27.291 -3.329 1.00 1.80 H new ATOM 0 HA LYS A 56 -8.527 26.767 -0.604 1.00 1.46 H new ATOM 0 HB2 LYS A 56 -9.855 25.907 -3.172 1.00 1.55 H new ATOM 0 HB3 LYS A 56 -10.508 25.908 -1.546 1.00 1.55 H new ATOM 0 HG2 LYS A 56 -10.793 28.312 -1.557 1.00 1.95 H new ATOM 0 HG3 LYS A 56 -9.833 28.493 -3.011 1.00 1.95 H new ATOM 0 HD2 LYS A 56 -11.572 27.034 -4.225 1.00 2.11 H new ATOM 0 HD3 LYS A 56 -12.563 27.132 -2.783 1.00 2.11 H new ATOM 0 HE2 LYS A 56 -12.791 29.536 -2.978 1.00 2.98 H new ATOM 0 HE3 LYS A 56 -11.514 29.635 -4.174 1.00 2.98 H new ATOM 0 HZ1 LYS A 56 -13.350 29.706 -5.497 1.00 3.21 H new ATOM 0 HZ2 LYS A 56 -13.089 28.028 -5.486 1.00 3.21 H new ATOM 0 HZ3 LYS A 56 -14.281 28.708 -4.486 1.00 3.21 H new ATOM 863 N LYS A 57 -7.565 24.434 -0.733 1.00 1.11 N ATOM 864 CA LYS A 57 -6.791 23.190 -0.661 1.00 1.02 C ATOM 865 C LYS A 57 -7.696 21.956 -0.684 1.00 0.93 C ATOM 866 O LYS A 57 -8.610 21.826 0.124 1.00 1.06 O ATOM 867 CB LYS A 57 -5.834 23.230 0.553 1.00 1.26 C ATOM 868 CG LYS A 57 -4.842 24.365 0.276 1.00 2.35 C ATOM 869 CD LYS A 57 -3.715 24.666 1.264 1.00 3.04 C ATOM 870 CE LYS A 57 -3.000 25.804 0.521 1.00 4.25 C ATOM 871 NZ LYS A 57 -1.943 26.523 1.251 1.00 5.30 N ATOM 0 H LYS A 57 -7.944 24.719 0.170 1.00 1.11 H new ATOM 0 HA LYS A 57 -6.172 23.106 -1.554 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -6.384 23.410 1.477 1.00 1.26 H new ATOM 0 HB3 LYS A 57 -5.315 22.279 0.671 1.00 1.26 H new ATOM 0 HG2 LYS A 57 -4.378 24.159 -0.689 1.00 2.35 H new ATOM 0 HG3 LYS A 57 -5.423 25.280 0.162 1.00 2.35 H new ATOM 0 HD2 LYS A 57 -4.089 24.977 2.240 1.00 3.04 H new ATOM 0 HD3 LYS A 57 -3.067 23.806 1.430 1.00 3.04 H new ATOM 0 HE2 LYS A 57 -2.562 25.392 -0.388 1.00 4.25 H new ATOM 0 HE3 LYS A 57 -3.751 26.531 0.212 1.00 4.25 H new ATOM 0 HZ1 LYS A 57 -1.542 27.263 0.641 1.00 5.30 H new ATOM 0 HZ2 LYS A 57 -2.346 26.959 2.105 1.00 5.30 H new ATOM 0 HZ3 LYS A 57 -1.194 25.855 1.524 1.00 5.30 H new ATOM 885 N VAL A 58 -7.400 21.048 -1.611 1.00 0.84 N ATOM 886 CA VAL A 58 -8.164 19.826 -1.913 1.00 0.83 C ATOM 887 C VAL A 58 -7.200 18.696 -2.292 1.00 0.98 C ATOM 888 O VAL A 58 -6.182 18.949 -2.928 1.00 1.44 O ATOM 889 CB VAL A 58 -9.210 20.105 -3.024 1.00 0.88 C ATOM 890 CG1 VAL A 58 -8.584 20.501 -4.377 1.00 2.22 C ATOM 891 CG2 VAL A 58 -10.158 18.910 -3.213 1.00 2.13 C ATOM 0 H VAL A 58 -6.578 21.144 -2.207 1.00 0.84 H new ATOM 0 HA VAL A 58 -8.716 19.508 -1.029 1.00 0.83 H new ATOM 0 HB VAL A 58 -9.780 20.966 -2.675 1.00 0.88 H new ATOM 0 HG11 VAL A 58 -9.375 20.681 -5.105 1.00 2.22 H new ATOM 0 HG12 VAL A 58 -7.992 21.408 -4.253 1.00 2.22 H new ATOM 0 HG13 VAL A 58 -7.942 19.694 -4.731 1.00 2.22 H new ATOM 0 HG21 VAL A 58 -10.879 19.138 -3.998 1.00 2.13 H new ATOM 0 HG22 VAL A 58 -9.581 18.029 -3.494 1.00 2.13 H new ATOM 0 HG23 VAL A 58 -10.687 18.715 -2.281 1.00 2.13 H new ATOM 901 N MET A 59 -7.478 17.459 -1.871 1.00 0.75 N ATOM 902 CA MET A 59 -6.605 16.301 -2.132 1.00 0.81 C ATOM 903 C MET A 59 -6.971 15.537 -3.413 1.00 0.85 C ATOM 904 O MET A 59 -8.104 15.594 -3.884 1.00 1.02 O ATOM 905 CB MET A 59 -6.562 15.360 -0.919 1.00 0.95 C ATOM 906 CG MET A 59 -5.769 15.989 0.232 1.00 1.05 C ATOM 907 SD MET A 59 -5.436 14.850 1.599 1.00 2.31 S ATOM 908 CE MET A 59 -6.944 15.111 2.567 1.00 2.95 C ATOM 0 H MET A 59 -8.316 17.227 -1.338 1.00 0.75 H new ATOM 0 HA MET A 59 -5.606 16.705 -2.297 1.00 0.81 H new ATOM 0 HB2 MET A 59 -7.577 15.139 -0.589 1.00 0.95 H new ATOM 0 HB3 MET A 59 -6.106 14.412 -1.205 1.00 0.95 H new ATOM 0 HG2 MET A 59 -4.822 16.364 -0.155 1.00 1.05 H new ATOM 0 HG3 MET A 59 -6.320 16.848 0.614 1.00 1.05 H new ATOM 0 HE1 MET A 59 -6.917 14.485 3.459 1.00 2.95 H new ATOM 0 HE2 MET A 59 -7.011 16.158 2.861 1.00 2.95 H new ATOM 0 HE3 MET A 59 -7.813 14.847 1.965 1.00 2.95 H new ATOM 918 N GLY A 60 -5.984 14.822 -3.961 1.00 0.80 N ATOM 919 CA GLY A 60 -6.092 13.945 -5.132 1.00 0.81 C ATOM 920 C GLY A 60 -5.396 12.600 -4.917 1.00 0.73 C ATOM 921 O GLY A 60 -4.697 12.402 -3.927 1.00 0.72 O ATOM 0 H GLY A 60 -5.038 14.840 -3.580 1.00 0.80 H new ATOM 0 HA2 GLY A 60 -7.144 13.775 -5.360 1.00 0.81 H new ATOM 0 HA3 GLY A 60 -5.655 14.443 -5.998 1.00 0.81 H new ATOM 925 N MET A 61 -5.582 11.679 -5.863 1.00 0.72 N ATOM 926 CA MET A 61 -4.989 10.339 -5.896 1.00 0.71 C ATOM 927 C MET A 61 -4.722 9.932 -7.346 1.00 0.72 C ATOM 928 O MET A 61 -5.474 10.312 -8.243 1.00 0.74 O ATOM 929 CB MET A 61 -5.949 9.382 -5.171 1.00 0.75 C ATOM 930 CG MET A 61 -5.641 7.885 -5.329 1.00 0.68 C ATOM 931 SD MET A 61 -6.924 6.712 -4.775 1.00 0.60 S ATOM 932 CE MET A 61 -7.658 7.590 -3.372 1.00 0.69 C ATOM 0 H MET A 61 -6.181 11.855 -6.669 1.00 0.72 H new ATOM 0 HA MET A 61 -4.027 10.310 -5.385 1.00 0.71 H new ATOM 0 HB2 MET A 61 -5.942 9.626 -4.109 1.00 0.75 H new ATOM 0 HB3 MET A 61 -6.960 9.567 -5.534 1.00 0.75 H new ATOM 0 HG2 MET A 61 -5.436 7.691 -6.382 1.00 0.68 H new ATOM 0 HG3 MET A 61 -4.724 7.668 -4.781 1.00 0.68 H new ATOM 0 HE1 MET A 61 -8.341 6.925 -2.844 1.00 0.69 H new ATOM 0 HE2 MET A 61 -6.870 7.914 -2.693 1.00 0.69 H new ATOM 0 HE3 MET A 61 -8.206 8.460 -3.734 1.00 0.69 H new ATOM 942 N ARG A 62 -3.640 9.180 -7.572 1.00 0.74 N ATOM 943 CA ARG A 62 -3.203 8.697 -8.891 1.00 0.82 C ATOM 944 C ARG A 62 -2.479 7.345 -8.747 1.00 0.84 C ATOM 945 O ARG A 62 -1.959 7.068 -7.666 1.00 0.86 O ATOM 946 CB ARG A 62 -2.249 9.723 -9.541 1.00 0.94 C ATOM 947 CG ARG A 62 -2.940 10.972 -10.113 1.00 1.59 C ATOM 948 CD ARG A 62 -1.984 11.834 -10.957 1.00 1.73 C ATOM 949 NE ARG A 62 -0.777 12.226 -10.208 1.00 2.68 N ATOM 950 CZ ARG A 62 0.388 12.644 -10.676 1.00 3.77 C ATOM 951 NH1 ARG A 62 0.563 12.998 -11.934 1.00 3.87 N ATOM 952 NH2 ARG A 62 1.409 12.692 -9.854 1.00 5.02 N ATOM 0 H ARG A 62 -3.022 8.879 -6.818 1.00 0.74 H new ATOM 0 HA ARG A 62 -4.081 8.569 -9.523 1.00 0.82 H new ATOM 0 HB2 ARG A 62 -1.516 10.038 -8.798 1.00 0.94 H new ATOM 0 HB3 ARG A 62 -1.699 9.230 -10.342 1.00 0.94 H new ATOM 0 HG2 ARG A 62 -3.788 10.667 -10.727 1.00 1.59 H new ATOM 0 HG3 ARG A 62 -3.339 11.571 -9.294 1.00 1.59 H new ATOM 0 HD2 ARG A 62 -1.692 11.281 -11.850 1.00 1.73 H new ATOM 0 HD3 ARG A 62 -2.507 12.729 -11.294 1.00 1.73 H new ATOM 0 HE ARG A 62 -0.849 12.167 -9.192 1.00 2.68 H new ATOM 0 HH11 ARG A 62 -0.218 12.955 -12.589 1.00 3.87 H new ATOM 0 HH12 ARG A 62 1.479 13.314 -12.252 1.00 3.87 H new ATOM 0 HH21 ARG A 62 1.293 12.411 -8.880 1.00 5.02 H new ATOM 0 HH22 ARG A 62 2.318 13.010 -10.188 1.00 5.02 H new ATOM 966 N PRO A 63 -2.413 6.504 -9.795 1.00 0.86 N ATOM 967 CA PRO A 63 -1.522 5.355 -9.819 1.00 0.84 C ATOM 968 C PRO A 63 -0.077 5.797 -10.079 1.00 0.83 C ATOM 969 O PRO A 63 0.141 6.865 -10.649 1.00 0.85 O ATOM 970 CB PRO A 63 -2.063 4.452 -10.922 1.00 0.87 C ATOM 971 CG PRO A 63 -2.619 5.459 -11.933 1.00 0.92 C ATOM 972 CD PRO A 63 -3.152 6.590 -11.049 1.00 0.89 C ATOM 0 HA PRO A 63 -1.495 4.826 -8.866 1.00 0.84 H new ATOM 0 HB2 PRO A 63 -1.281 3.830 -11.357 1.00 0.87 H new ATOM 0 HB3 PRO A 63 -2.837 3.779 -10.552 1.00 0.87 H new ATOM 0 HG2 PRO A 63 -1.846 5.812 -12.615 1.00 0.92 H new ATOM 0 HG3 PRO A 63 -3.408 5.021 -12.545 1.00 0.92 H new ATOM 0 HD2 PRO A 63 -3.003 7.560 -11.524 1.00 0.89 H new ATOM 0 HD3 PRO A 63 -4.223 6.480 -10.879 1.00 0.89 H new ATOM 980 N VAL A 64 0.896 4.978 -9.666 1.00 0.83 N ATOM 981 CA VAL A 64 2.345 5.210 -9.849 1.00 0.85 C ATOM 982 C VAL A 64 3.062 3.913 -10.272 1.00 0.83 C ATOM 983 O VAL A 64 2.560 2.828 -9.967 1.00 0.79 O ATOM 984 CB VAL A 64 2.999 5.824 -8.585 1.00 0.82 C ATOM 985 CG1 VAL A 64 2.417 7.207 -8.280 1.00 0.92 C ATOM 986 CG2 VAL A 64 2.891 4.937 -7.336 1.00 0.90 C ATOM 0 H VAL A 64 0.697 4.105 -9.178 1.00 0.83 H new ATOM 0 HA VAL A 64 2.457 5.938 -10.652 1.00 0.85 H new ATOM 0 HB VAL A 64 4.059 5.910 -8.824 1.00 0.82 H new ATOM 0 HG11 VAL A 64 2.894 7.614 -7.388 1.00 0.92 H new ATOM 0 HG12 VAL A 64 2.598 7.872 -9.124 1.00 0.92 H new ATOM 0 HG13 VAL A 64 1.344 7.121 -8.110 1.00 0.92 H new ATOM 0 HG21 VAL A 64 3.372 5.435 -6.494 1.00 0.90 H new ATOM 0 HG22 VAL A 64 1.841 4.763 -7.103 1.00 0.90 H new ATOM 0 HG23 VAL A 64 3.384 3.983 -7.523 1.00 0.90 H new ATOM 996 N PRO A 65 4.208 3.989 -10.989 1.00 0.87 N ATOM 997 CA PRO A 65 4.858 2.829 -11.597 1.00 0.84 C ATOM 998 C PRO A 65 5.667 2.004 -10.596 1.00 0.73 C ATOM 999 O PRO A 65 5.863 0.816 -10.828 1.00 0.70 O ATOM 1000 CB PRO A 65 5.742 3.404 -12.706 1.00 0.94 C ATOM 1001 CG PRO A 65 6.159 4.762 -12.150 1.00 0.97 C ATOM 1002 CD PRO A 65 4.922 5.205 -11.367 1.00 0.96 C ATOM 0 HA PRO A 65 4.119 2.127 -11.983 1.00 0.84 H new ATOM 0 HB2 PRO A 65 6.605 2.768 -12.904 1.00 0.94 H new ATOM 0 HB3 PRO A 65 5.197 3.503 -13.645 1.00 0.94 H new ATOM 0 HG2 PRO A 65 7.037 4.684 -11.508 1.00 0.97 H new ATOM 0 HG3 PRO A 65 6.407 5.465 -12.945 1.00 0.97 H new ATOM 0 HD2 PRO A 65 5.207 5.777 -10.484 1.00 0.96 H new ATOM 0 HD3 PRO A 65 4.290 5.852 -11.975 1.00 0.96 H new ATOM 1010 N PHE A 66 6.120 2.627 -9.502 1.00 0.69 N ATOM 1011 CA PHE A 66 6.883 2.010 -8.411 1.00 0.60 C ATOM 1012 C PHE A 66 7.158 3.008 -7.276 1.00 0.62 C ATOM 1013 O PHE A 66 7.082 4.223 -7.469 1.00 0.70 O ATOM 1014 CB PHE A 66 8.212 1.416 -8.919 1.00 0.58 C ATOM 1015 CG PHE A 66 9.149 2.448 -9.486 1.00 0.65 C ATOM 1016 CD1 PHE A 66 9.996 3.156 -8.621 1.00 1.56 C ATOM 1017 CD2 PHE A 66 9.109 2.755 -10.853 1.00 2.20 C ATOM 1018 CE1 PHE A 66 10.787 4.203 -9.106 1.00 1.54 C ATOM 1019 CE2 PHE A 66 9.929 3.784 -11.354 1.00 2.28 C ATOM 1020 CZ PHE A 66 10.765 4.511 -10.481 1.00 0.82 C ATOM 0 H PHE A 66 5.957 3.622 -9.346 1.00 0.69 H new ATOM 0 HA PHE A 66 6.268 1.201 -8.016 1.00 0.60 H new ATOM 0 HB2 PHE A 66 8.707 0.898 -8.098 1.00 0.58 H new ATOM 0 HB3 PHE A 66 7.999 0.670 -9.684 1.00 0.58 H new ATOM 0 HD1 PHE A 66 10.038 2.891 -7.575 1.00 1.56 H new ATOM 0 HD2 PHE A 66 8.455 2.207 -11.516 1.00 2.20 H new ATOM 0 HE1 PHE A 66 11.410 4.771 -8.431 1.00 1.54 H new ATOM 0 HE2 PHE A 66 9.918 4.017 -12.408 1.00 2.28 H new ATOM 0 HZ PHE A 66 11.389 5.304 -10.867 1.00 0.82 H new ATOM 1030 N LEU A 67 7.561 2.486 -6.113 1.00 0.57 N ATOM 1031 CA LEU A 67 8.206 3.231 -5.024 1.00 0.62 C ATOM 1032 C LEU A 67 9.689 2.850 -4.914 1.00 0.63 C ATOM 1033 O LEU A 67 10.059 1.728 -5.250 1.00 0.58 O ATOM 1034 CB LEU A 67 7.515 2.931 -3.677 1.00 0.61 C ATOM 1035 CG LEU A 67 5.992 3.150 -3.587 1.00 0.59 C ATOM 1036 CD1 LEU A 67 5.563 3.095 -2.117 1.00 0.63 C ATOM 1037 CD2 LEU A 67 5.517 4.473 -4.194 1.00 0.71 C ATOM 0 H LEU A 67 7.443 1.497 -5.895 1.00 0.57 H new ATOM 0 HA LEU A 67 8.117 4.293 -5.251 1.00 0.62 H new ATOM 0 HB2 LEU A 67 7.720 1.892 -3.419 1.00 0.61 H new ATOM 0 HB3 LEU A 67 7.988 3.548 -2.913 1.00 0.61 H new ATOM 0 HG LEU A 67 5.531 2.354 -4.172 1.00 0.59 H new ATOM 0 HD11 LEU A 67 4.486 3.249 -2.046 1.00 0.63 H new ATOM 0 HD12 LEU A 67 5.818 2.121 -1.700 1.00 0.63 H new ATOM 0 HD13 LEU A 67 6.079 3.876 -1.558 1.00 0.63 H new ATOM 0 HD21 LEU A 67 4.435 4.553 -4.092 1.00 0.71 H new ATOM 0 HD22 LEU A 67 5.993 5.304 -3.673 1.00 0.71 H new ATOM 0 HD23 LEU A 67 5.785 4.506 -5.250 1.00 0.71 H new ATOM 1049 N GLU A 68 10.514 3.757 -4.394 1.00 0.73 N ATOM 1050 CA GLU A 68 11.945 3.554 -4.131 1.00 0.77 C ATOM 1051 C GLU A 68 12.206 3.602 -2.624 1.00 0.80 C ATOM 1052 O GLU A 68 11.599 4.426 -1.941 1.00 0.87 O ATOM 1053 CB GLU A 68 12.737 4.699 -4.790 1.00 0.94 C ATOM 1054 CG GLU A 68 14.262 4.514 -4.713 1.00 1.01 C ATOM 1055 CD GLU A 68 14.782 3.547 -5.784 1.00 0.92 C ATOM 1056 OE1 GLU A 68 13.982 2.758 -6.338 1.00 2.17 O ATOM 1057 OE2 GLU A 68 15.976 3.639 -6.147 1.00 1.63 O ATOM 0 H GLU A 68 10.196 4.690 -4.133 1.00 0.73 H new ATOM 0 HA GLU A 68 12.251 2.588 -4.531 1.00 0.77 H new ATOM 0 HB2 GLU A 68 12.441 4.780 -5.836 1.00 0.94 H new ATOM 0 HB3 GLU A 68 12.468 5.640 -4.309 1.00 0.94 H new ATOM 0 HG2 GLU A 68 14.750 5.481 -4.831 1.00 1.01 H new ATOM 0 HG3 GLU A 68 14.532 4.139 -3.726 1.00 1.01 H new ATOM 1064 N VAL A 69 13.144 2.786 -2.123 1.00 0.80 N ATOM 1065 CA VAL A 69 13.644 2.876 -0.743 1.00 0.86 C ATOM 1066 C VAL A 69 15.168 2.655 -0.652 1.00 0.91 C ATOM 1067 O VAL A 69 15.694 1.795 -1.356 1.00 1.06 O ATOM 1068 CB VAL A 69 12.884 1.878 0.177 1.00 0.83 C ATOM 1069 CG1 VAL A 69 13.330 1.932 1.647 1.00 0.87 C ATOM 1070 CG2 VAL A 69 11.365 2.140 0.173 1.00 0.88 C ATOM 0 H VAL A 69 13.580 2.041 -2.666 1.00 0.80 H new ATOM 0 HA VAL A 69 13.453 3.892 -0.397 1.00 0.86 H new ATOM 0 HB VAL A 69 13.123 0.900 -0.241 1.00 0.83 H new ATOM 0 HG11 VAL A 69 12.757 1.209 2.228 1.00 0.87 H new ATOM 0 HG12 VAL A 69 14.391 1.692 1.714 1.00 0.87 H new ATOM 0 HG13 VAL A 69 13.159 2.933 2.043 1.00 0.87 H new ATOM 0 HG21 VAL A 69 10.870 1.422 0.827 1.00 0.88 H new ATOM 0 HG22 VAL A 69 11.169 3.151 0.530 1.00 0.88 H new ATOM 0 HG23 VAL A 69 10.980 2.032 -0.841 1.00 0.88 H new ATOM 1080 N PRO A 70 15.897 3.425 0.192 1.00 0.90 N ATOM 1081 CA PRO A 70 17.327 3.247 0.446 1.00 0.95 C ATOM 1082 C PRO A 70 17.608 2.175 1.521 1.00 1.01 C ATOM 1083 O PRO A 70 16.763 1.926 2.383 1.00 1.12 O ATOM 1084 CB PRO A 70 17.822 4.625 0.897 1.00 1.06 C ATOM 1085 CG PRO A 70 16.618 5.185 1.649 1.00 1.07 C ATOM 1086 CD PRO A 70 15.438 4.651 0.840 1.00 0.97 C ATOM 0 HA PRO A 70 17.842 2.890 -0.446 1.00 0.95 H new ATOM 0 HB2 PRO A 70 18.700 4.550 1.538 1.00 1.06 H new ATOM 0 HB3 PRO A 70 18.098 5.253 0.050 1.00 1.06 H new ATOM 0 HG2 PRO A 70 16.590 4.840 2.682 1.00 1.07 H new ATOM 0 HG3 PRO A 70 16.629 6.275 1.677 1.00 1.07 H new ATOM 0 HD2 PRO A 70 14.584 4.451 1.487 1.00 0.97 H new ATOM 0 HD3 PRO A 70 15.113 5.382 0.100 1.00 0.97 H new ATOM 1094 N PRO A 71 18.812 1.566 1.521 1.00 0.99 N ATOM 1095 CA PRO A 71 19.158 0.474 2.426 1.00 1.01 C ATOM 1096 C PRO A 71 19.120 0.877 3.900 1.00 1.03 C ATOM 1097 O PRO A 71 19.455 1.999 4.270 1.00 1.07 O ATOM 1098 CB PRO A 71 20.532 -0.028 1.986 1.00 1.01 C ATOM 1099 CG PRO A 71 21.143 1.166 1.258 1.00 1.00 C ATOM 1100 CD PRO A 71 19.927 1.840 0.626 1.00 0.98 C ATOM 0 HA PRO A 71 18.416 -0.321 2.360 1.00 1.01 H new ATOM 0 HB2 PRO A 71 21.139 -0.329 2.839 1.00 1.01 H new ATOM 0 HB3 PRO A 71 20.450 -0.896 1.331 1.00 1.01 H new ATOM 0 HG2 PRO A 71 21.664 1.834 1.944 1.00 1.00 H new ATOM 0 HG3 PRO A 71 21.868 0.853 0.506 1.00 1.00 H new ATOM 0 HD2 PRO A 71 20.087 2.913 0.518 1.00 0.98 H new ATOM 0 HD3 PRO A 71 19.735 1.444 -0.371 1.00 0.98 H new ATOM 1108 N LYS A 72 18.673 -0.071 4.730 1.00 1.05 N ATOM 1109 CA LYS A 72 18.481 0.023 6.186 1.00 1.12 C ATOM 1110 C LYS A 72 17.317 0.935 6.610 1.00 1.17 C ATOM 1111 O LYS A 72 17.044 1.073 7.800 1.00 1.29 O ATOM 1112 CB LYS A 72 19.798 0.393 6.896 1.00 1.26 C ATOM 1113 CG LYS A 72 21.011 -0.417 6.417 1.00 1.38 C ATOM 1114 CD LYS A 72 20.857 -1.937 6.586 1.00 1.30 C ATOM 1115 CE LYS A 72 22.061 -2.636 5.957 1.00 1.35 C ATOM 1116 NZ LYS A 72 21.937 -4.110 5.993 1.00 1.77 N ATOM 0 H LYS A 72 18.416 -0.993 4.378 1.00 1.05 H new ATOM 0 HA LYS A 72 18.185 -0.974 6.514 1.00 1.12 H new ATOM 0 HB2 LYS A 72 19.997 1.453 6.741 1.00 1.26 H new ATOM 0 HB3 LYS A 72 19.675 0.245 7.969 1.00 1.26 H new ATOM 0 HG2 LYS A 72 21.190 -0.195 5.365 1.00 1.38 H new ATOM 0 HG3 LYS A 72 21.893 -0.089 6.966 1.00 1.38 H new ATOM 0 HD2 LYS A 72 20.785 -2.192 7.643 1.00 1.30 H new ATOM 0 HD3 LYS A 72 19.936 -2.276 6.112 1.00 1.30 H new ATOM 0 HE2 LYS A 72 22.169 -2.308 4.923 1.00 1.35 H new ATOM 0 HE3 LYS A 72 22.968 -2.337 6.483 1.00 1.35 H new ATOM 0 HZ1 LYS A 72 22.680 -4.506 6.604 1.00 1.77 H new ATOM 0 HZ2 LYS A 72 21.003 -4.371 6.370 1.00 1.77 H new ATOM 0 HZ3 LYS A 72 22.041 -4.491 5.031 1.00 1.77 H new ATOM 1130 N GLY A 73 16.617 1.528 5.644 1.00 1.16 N ATOM 1131 CA GLY A 73 15.424 2.361 5.846 1.00 1.24 C ATOM 1132 C GLY A 73 14.131 1.561 6.076 1.00 1.14 C ATOM 1133 O GLY A 73 13.964 0.454 5.564 1.00 1.05 O ATOM 0 H GLY A 73 16.872 1.440 4.660 1.00 1.16 H new ATOM 0 HA2 GLY A 73 15.591 3.015 6.702 1.00 1.24 H new ATOM 0 HA3 GLY A 73 15.291 3.003 4.976 1.00 1.24 H new ATOM 1137 N ARG A 74 13.201 2.176 6.820 1.00 1.32 N ATOM 1138 CA ARG A 74 11.760 1.872 6.884 1.00 1.32 C ATOM 1139 C ARG A 74 11.033 3.062 6.241 1.00 1.60 C ATOM 1140 O ARG A 74 11.355 4.196 6.586 1.00 2.03 O ATOM 1141 CB ARG A 74 11.299 1.782 8.357 1.00 1.61 C ATOM 1142 CG ARG A 74 11.265 0.372 8.979 1.00 1.96 C ATOM 1143 CD ARG A 74 9.880 -0.269 8.959 1.00 2.63 C ATOM 1144 NE ARG A 74 9.611 -1.121 10.139 1.00 3.36 N ATOM 1145 CZ ARG A 74 8.700 -0.915 11.092 1.00 3.66 C ATOM 1146 NH1 ARG A 74 7.879 0.108 11.156 1.00 3.69 N ATOM 1147 NH2 ARG A 74 8.543 -1.787 12.055 1.00 4.63 N ATOM 0 H ARG A 74 13.450 2.951 7.435 1.00 1.32 H new ATOM 0 HA ARG A 74 11.549 0.928 6.382 1.00 1.32 H new ATOM 0 HB2 ARG A 74 11.959 2.406 8.960 1.00 1.61 H new ATOM 0 HB3 ARG A 74 10.300 2.212 8.429 1.00 1.61 H new ATOM 0 HG2 ARG A 74 11.962 -0.271 8.441 1.00 1.96 H new ATOM 0 HG3 ARG A 74 11.615 0.430 10.010 1.00 1.96 H new ATOM 0 HD2 ARG A 74 9.125 0.516 8.907 1.00 2.63 H new ATOM 0 HD3 ARG A 74 9.779 -0.870 8.055 1.00 2.63 H new ATOM 0 HE ARG A 74 10.186 -1.958 10.234 1.00 3.36 H new ATOM 0 HH11 ARG A 74 7.907 0.830 10.436 1.00 3.69 H new ATOM 0 HH12 ARG A 74 7.214 0.181 11.926 1.00 3.69 H new ATOM 0 HH21 ARG A 74 9.118 -2.629 12.080 1.00 4.63 H new ATOM 0 HH22 ARG A 74 7.845 -1.625 12.781 1.00 4.63 H new ATOM 1161 N VAL A 75 10.086 2.842 5.331 1.00 1.65 N ATOM 1162 CA VAL A 75 9.356 3.904 4.597 1.00 2.20 C ATOM 1163 C VAL A 75 7.901 3.471 4.424 1.00 1.87 C ATOM 1164 O VAL A 75 7.656 2.426 3.831 1.00 1.89 O ATOM 1165 CB VAL A 75 9.997 4.173 3.210 1.00 2.90 C ATOM 1166 CG1 VAL A 75 9.167 5.164 2.372 1.00 3.50 C ATOM 1167 CG2 VAL A 75 11.422 4.744 3.344 1.00 3.42 C ATOM 0 H VAL A 75 9.789 1.902 5.069 1.00 1.65 H new ATOM 0 HA VAL A 75 9.409 4.829 5.171 1.00 2.20 H new ATOM 0 HB VAL A 75 10.028 3.206 2.707 1.00 2.90 H new ATOM 0 HG11 VAL A 75 9.653 5.323 1.409 1.00 3.50 H new ATOM 0 HG12 VAL A 75 8.168 4.758 2.212 1.00 3.50 H new ATOM 0 HG13 VAL A 75 9.091 6.114 2.901 1.00 3.50 H new ATOM 0 HG21 VAL A 75 11.838 4.919 2.352 1.00 3.42 H new ATOM 0 HG22 VAL A 75 11.387 5.684 3.894 1.00 3.42 H new ATOM 0 HG23 VAL A 75 12.050 4.033 3.880 1.00 3.42 H new ATOM 1177 N GLU A 76 6.939 4.228 4.968 1.00 1.79 N ATOM 1178 CA GLU A 76 5.600 3.677 5.228 1.00 1.37 C ATOM 1179 C GLU A 76 4.498 4.341 4.389 1.00 1.39 C ATOM 1180 O GLU A 76 4.367 5.570 4.337 1.00 1.75 O ATOM 1181 CB GLU A 76 5.274 3.578 6.742 1.00 1.35 C ATOM 1182 CG GLU A 76 6.503 3.506 7.678 1.00 1.72 C ATOM 1183 CD GLU A 76 6.308 2.731 8.980 1.00 2.76 C ATOM 1184 OE1 GLU A 76 5.266 2.849 9.651 1.00 3.63 O ATOM 1185 OE2 GLU A 76 7.237 1.939 9.268 1.00 3.98 O ATOM 0 H GLU A 76 7.057 5.206 5.233 1.00 1.79 H new ATOM 0 HA GLU A 76 5.624 2.645 4.877 1.00 1.37 H new ATOM 0 HB2 GLU A 76 4.672 4.442 7.025 1.00 1.35 H new ATOM 0 HB3 GLU A 76 4.659 2.693 6.908 1.00 1.35 H new ATOM 0 HG2 GLU A 76 7.328 3.052 7.128 1.00 1.72 H new ATOM 0 HG3 GLU A 76 6.806 4.523 7.926 1.00 1.72 H new ATOM 1192 N LEU A 77 3.709 3.490 3.723 1.00 1.09 N ATOM 1193 CA LEU A 77 2.602 3.815 2.828 1.00 0.98 C ATOM 1194 C LEU A 77 1.404 4.387 3.610 1.00 1.27 C ATOM 1195 O LEU A 77 0.415 3.717 3.899 1.00 2.21 O ATOM 1196 CB LEU A 77 2.238 2.588 1.953 1.00 0.71 C ATOM 1197 CG LEU A 77 3.253 2.235 0.839 1.00 0.75 C ATOM 1198 CD1 LEU A 77 4.347 1.252 1.287 1.00 0.87 C ATOM 1199 CD2 LEU A 77 2.512 1.612 -0.354 1.00 1.03 C ATOM 0 H LEU A 77 3.841 2.482 3.805 1.00 1.09 H new ATOM 0 HA LEU A 77 2.914 4.605 2.145 1.00 0.98 H new ATOM 0 HB2 LEU A 77 2.125 1.721 2.604 1.00 0.71 H new ATOM 0 HB3 LEU A 77 1.267 2.769 1.491 1.00 0.71 H new ATOM 0 HG LEU A 77 3.742 3.171 0.570 1.00 0.75 H new ATOM 0 HD11 LEU A 77 5.020 1.052 0.453 1.00 0.87 H new ATOM 0 HD12 LEU A 77 4.911 1.686 2.113 1.00 0.87 H new ATOM 0 HD13 LEU A 77 3.887 0.319 1.613 1.00 0.87 H new ATOM 0 HD21 LEU A 77 3.228 1.364 -1.138 1.00 1.03 H new ATOM 0 HD22 LEU A 77 1.999 0.706 -0.031 1.00 1.03 H new ATOM 0 HD23 LEU A 77 1.782 2.323 -0.741 1.00 1.03 H new ATOM 1211 N LYS A 78 1.536 5.656 3.987 1.00 1.20 N ATOM 1212 CA LYS A 78 0.549 6.454 4.713 1.00 1.47 C ATOM 1213 C LYS A 78 -0.768 6.679 3.923 1.00 1.40 C ATOM 1214 O LYS A 78 -0.709 6.944 2.720 1.00 1.23 O ATOM 1215 CB LYS A 78 1.219 7.788 5.122 1.00 1.80 C ATOM 1216 CG LYS A 78 1.971 8.485 3.963 1.00 1.57 C ATOM 1217 CD LYS A 78 2.623 9.820 4.351 1.00 2.55 C ATOM 1218 CE LYS A 78 1.583 10.944 4.473 1.00 4.71 C ATOM 1219 NZ LYS A 78 1.869 12.077 3.555 1.00 6.25 N ATOM 0 H LYS A 78 2.383 6.186 3.783 1.00 1.20 H new ATOM 0 HA LYS A 78 0.239 5.902 5.600 1.00 1.47 H new ATOM 0 HB2 LYS A 78 0.456 8.464 5.508 1.00 1.80 H new ATOM 0 HB3 LYS A 78 1.919 7.599 5.936 1.00 1.80 H new ATOM 0 HG2 LYS A 78 2.742 7.812 3.588 1.00 1.57 H new ATOM 0 HG3 LYS A 78 1.273 8.658 3.144 1.00 1.57 H new ATOM 0 HD2 LYS A 78 3.149 9.706 5.299 1.00 2.55 H new ATOM 0 HD3 LYS A 78 3.368 10.093 3.603 1.00 2.55 H new ATOM 0 HE2 LYS A 78 0.592 10.545 4.256 1.00 4.71 H new ATOM 0 HE3 LYS A 78 1.563 11.308 5.500 1.00 4.71 H new ATOM 0 HZ1 LYS A 78 2.042 12.939 4.111 1.00 6.25 H new ATOM 0 HZ2 LYS A 78 2.711 11.858 2.985 1.00 6.25 H new ATOM 0 HZ3 LYS A 78 1.055 12.229 2.926 1.00 6.25 H new ATOM 1233 N PRO A 79 -1.946 6.726 4.587 1.00 1.77 N ATOM 1234 CA PRO A 79 -3.228 7.025 3.935 1.00 2.02 C ATOM 1235 C PRO A 79 -3.243 8.379 3.218 1.00 2.07 C ATOM 1236 O PRO A 79 -3.669 8.461 2.065 1.00 2.99 O ATOM 1237 CB PRO A 79 -4.292 6.921 5.035 1.00 2.48 C ATOM 1238 CG PRO A 79 -3.514 7.100 6.338 1.00 2.48 C ATOM 1239 CD PRO A 79 -2.156 6.482 6.008 1.00 2.13 C ATOM 0 HA PRO A 79 -3.424 6.315 3.132 1.00 2.02 H new ATOM 0 HB2 PRO A 79 -5.057 7.689 4.921 1.00 2.48 H new ATOM 0 HB3 PRO A 79 -4.801 5.957 5.006 1.00 2.48 H new ATOM 0 HG2 PRO A 79 -3.424 8.151 6.614 1.00 2.48 H new ATOM 0 HG3 PRO A 79 -3.998 6.591 7.172 1.00 2.48 H new ATOM 0 HD2 PRO A 79 -1.364 6.936 6.604 1.00 2.13 H new ATOM 0 HD3 PRO A 79 -2.148 5.414 6.227 1.00 2.13 H new ATOM 1247 N GLY A 80 -2.687 9.419 3.851 1.00 1.58 N ATOM 1248 CA GLY A 80 -2.471 10.741 3.247 1.00 1.57 C ATOM 1249 C GLY A 80 -1.251 10.799 2.322 1.00 1.25 C ATOM 1250 O GLY A 80 -0.569 11.823 2.288 1.00 1.57 O ATOM 0 H GLY A 80 -2.368 9.365 4.818 1.00 1.58 H new ATOM 0 HA2 GLY A 80 -3.359 11.023 2.682 1.00 1.57 H new ATOM 0 HA3 GLY A 80 -2.351 11.479 4.040 1.00 1.57 H new ATOM 1254 N GLY A 81 -0.913 9.695 1.649 1.00 1.05 N ATOM 1255 CA GLY A 81 0.135 9.609 0.621 1.00 0.81 C ATOM 1256 C GLY A 81 0.159 8.267 -0.100 1.00 0.83 C ATOM 1257 O GLY A 81 -0.877 7.792 -0.558 1.00 1.62 O ATOM 0 H GLY A 81 -1.378 8.801 1.810 1.00 1.05 H new ATOM 0 HA2 GLY A 81 -0.015 10.404 -0.109 1.00 0.81 H new ATOM 0 HA3 GLY A 81 1.106 9.782 1.085 1.00 0.81 H new ATOM 1261 N TYR A 82 1.336 7.653 -0.238 1.00 0.81 N ATOM 1262 CA TYR A 82 1.456 6.445 -1.062 1.00 0.72 C ATOM 1263 C TYR A 82 0.765 5.261 -0.398 1.00 0.67 C ATOM 1264 O TYR A 82 0.822 5.105 0.814 1.00 0.78 O ATOM 1265 CB TYR A 82 2.920 6.085 -1.307 1.00 0.78 C ATOM 1266 CG TYR A 82 3.645 7.103 -2.149 1.00 0.82 C ATOM 1267 CD1 TYR A 82 3.359 7.176 -3.523 1.00 2.06 C ATOM 1268 CD2 TYR A 82 4.565 7.996 -1.569 1.00 1.62 C ATOM 1269 CE1 TYR A 82 3.980 8.147 -4.319 1.00 2.14 C ATOM 1270 CE2 TYR A 82 5.187 8.976 -2.365 1.00 1.61 C ATOM 1271 CZ TYR A 82 4.885 9.066 -3.742 1.00 0.99 C ATOM 1272 OH TYR A 82 5.447 10.042 -4.503 1.00 1.11 O ATOM 0 H TYR A 82 2.204 7.963 0.199 1.00 0.81 H new ATOM 0 HA TYR A 82 0.974 6.661 -2.016 1.00 0.72 H new ATOM 0 HB2 TYR A 82 3.429 5.986 -0.348 1.00 0.78 H new ATOM 0 HB3 TYR A 82 2.972 5.113 -1.797 1.00 0.78 H new ATOM 0 HD1 TYR A 82 2.659 6.482 -3.966 1.00 2.06 H new ATOM 0 HD2 TYR A 82 4.793 7.930 -0.515 1.00 1.62 H new ATOM 0 HE1 TYR A 82 3.766 8.193 -5.377 1.00 2.14 H new ATOM 0 HE2 TYR A 82 5.896 9.660 -1.922 1.00 1.61 H new ATOM 0 HH TYR A 82 6.044 10.587 -3.948 1.00 1.11 H new ATOM 1282 N HIS A 83 0.075 4.466 -1.201 1.00 0.53 N ATOM 1283 CA HIS A 83 -0.757 3.344 -0.756 1.00 0.49 C ATOM 1284 C HIS A 83 -1.061 2.369 -1.896 1.00 0.40 C ATOM 1285 O HIS A 83 -1.076 2.770 -3.058 1.00 0.43 O ATOM 1286 CB HIS A 83 -2.040 3.875 -0.117 1.00 0.57 C ATOM 1287 CG HIS A 83 -2.946 4.608 -1.070 1.00 0.51 C ATOM 1288 ND1 HIS A 83 -2.778 5.898 -1.525 1.00 0.58 N ATOM 1289 CD2 HIS A 83 -4.027 4.081 -1.721 1.00 0.44 C ATOM 1290 CE1 HIS A 83 -3.708 6.131 -2.459 1.00 0.52 C ATOM 1291 NE2 HIS A 83 -4.497 5.053 -2.601 1.00 0.43 N ATOM 0 H HIS A 83 0.075 4.583 -2.214 1.00 0.53 H new ATOM 0 HA HIS A 83 -0.199 2.780 -0.009 1.00 0.49 H new ATOM 0 HB2 HIS A 83 -2.588 3.040 0.318 1.00 0.57 H new ATOM 0 HB3 HIS A 83 -1.775 4.544 0.702 1.00 0.57 H new ATOM 0 HD1 HIS A 83 -2.070 6.559 -1.206 1.00 0.58 H new ATOM 0 HD2 HIS A 83 -4.440 3.093 -1.579 1.00 0.44 H new ATOM 0 HE1 HIS A 83 -3.809 7.050 -3.016 1.00 0.52 H new ATOM 1299 N PHE A 84 -1.409 1.121 -1.581 1.00 0.41 N ATOM 1300 CA PHE A 84 -1.954 0.200 -2.585 1.00 0.42 C ATOM 1301 C PHE A 84 -3.466 0.400 -2.743 1.00 0.39 C ATOM 1302 O PHE A 84 -4.147 0.740 -1.773 1.00 0.55 O ATOM 1303 CB PHE A 84 -1.669 -1.249 -2.184 1.00 0.54 C ATOM 1304 CG PHE A 84 -0.198 -1.578 -2.149 1.00 0.68 C ATOM 1305 CD1 PHE A 84 0.456 -1.966 -3.331 1.00 1.27 C ATOM 1306 CD2 PHE A 84 0.525 -1.471 -0.948 1.00 1.90 C ATOM 1307 CE1 PHE A 84 1.823 -2.270 -3.305 1.00 1.30 C ATOM 1308 CE2 PHE A 84 1.891 -1.792 -0.918 1.00 2.07 C ATOM 1309 CZ PHE A 84 2.541 -2.190 -2.095 1.00 1.10 C ATOM 0 H PHE A 84 -1.325 0.724 -0.645 1.00 0.41 H new ATOM 0 HA PHE A 84 -1.470 0.413 -3.538 1.00 0.42 H new ATOM 0 HB2 PHE A 84 -2.100 -1.439 -1.201 1.00 0.54 H new ATOM 0 HB3 PHE A 84 -2.168 -1.918 -2.885 1.00 0.54 H new ATOM 0 HD1 PHE A 84 -0.095 -2.030 -4.258 1.00 1.27 H new ATOM 0 HD2 PHE A 84 0.029 -1.141 -0.047 1.00 1.90 H new ATOM 0 HE1 PHE A 84 2.327 -2.566 -4.213 1.00 1.30 H new ATOM 0 HE2 PHE A 84 2.440 -1.733 0.010 1.00 2.07 H new ATOM 0 HZ PHE A 84 3.593 -2.435 -2.074 1.00 1.10 H new ATOM 1319 N MET A 85 -4.014 0.113 -3.925 1.00 0.44 N ATOM 1320 CA MET A 85 -5.460 -0.034 -4.161 1.00 0.42 C ATOM 1321 C MET A 85 -5.782 -1.489 -4.489 1.00 0.41 C ATOM 1322 O MET A 85 -5.122 -2.087 -5.336 1.00 0.48 O ATOM 1323 CB MET A 85 -5.940 0.868 -5.293 1.00 0.50 C ATOM 1324 CG MET A 85 -7.316 1.468 -4.976 1.00 0.61 C ATOM 1325 SD MET A 85 -7.304 2.800 -3.732 1.00 0.50 S ATOM 1326 CE MET A 85 -9.096 2.988 -3.493 1.00 0.45 C ATOM 0 H MET A 85 -3.456 -0.028 -4.767 1.00 0.44 H new ATOM 0 HA MET A 85 -5.981 0.265 -3.251 1.00 0.42 H new ATOM 0 HB2 MET A 85 -5.219 1.669 -5.454 1.00 0.50 H new ATOM 0 HB3 MET A 85 -5.994 0.296 -6.220 1.00 0.50 H new ATOM 0 HG2 MET A 85 -7.748 1.856 -5.898 1.00 0.61 H new ATOM 0 HG3 MET A 85 -7.972 0.671 -4.627 1.00 0.61 H new ATOM 0 HE1 MET A 85 -9.285 3.769 -2.757 1.00 0.45 H new ATOM 0 HE2 MET A 85 -9.563 3.261 -4.439 1.00 0.45 H new ATOM 0 HE3 MET A 85 -9.517 2.047 -3.139 1.00 0.45 H new ATOM 1336 N LEU A 86 -6.788 -2.044 -3.817 1.00 0.41 N ATOM 1337 CA LEU A 86 -7.231 -3.428 -3.966 1.00 0.46 C ATOM 1338 C LEU A 86 -8.619 -3.410 -4.611 1.00 0.48 C ATOM 1339 O LEU A 86 -9.553 -2.858 -4.030 1.00 0.62 O ATOM 1340 CB LEU A 86 -7.286 -4.090 -2.573 1.00 0.49 C ATOM 1341 CG LEU A 86 -5.946 -4.535 -1.944 1.00 0.49 C ATOM 1342 CD1 LEU A 86 -4.957 -3.391 -1.664 1.00 0.49 C ATOM 1343 CD2 LEU A 86 -6.250 -5.237 -0.612 1.00 0.55 C ATOM 0 H LEU A 86 -7.336 -1.525 -3.131 1.00 0.41 H new ATOM 0 HA LEU A 86 -6.544 -3.998 -4.592 1.00 0.46 H new ATOM 0 HB2 LEU A 86 -7.765 -3.392 -1.887 1.00 0.49 H new ATOM 0 HB3 LEU A 86 -7.933 -4.964 -2.641 1.00 0.49 H new ATOM 0 HG LEU A 86 -5.467 -5.188 -2.674 1.00 0.49 H new ATOM 0 HD11 LEU A 86 -4.046 -3.797 -1.224 1.00 0.49 H new ATOM 0 HD12 LEU A 86 -4.714 -2.884 -2.598 1.00 0.49 H new ATOM 0 HD13 LEU A 86 -5.409 -2.680 -0.972 1.00 0.49 H new ATOM 0 HD21 LEU A 86 -5.317 -5.560 -0.150 1.00 0.55 H new ATOM 0 HD22 LEU A 86 -6.765 -4.545 0.055 1.00 0.55 H new ATOM 0 HD23 LEU A 86 -6.884 -6.105 -0.794 1.00 0.55 H new ATOM 1355 N LEU A 87 -8.773 -4.008 -5.794 1.00 0.48 N ATOM 1356 CA LEU A 87 -10.050 -4.129 -6.502 1.00 0.56 C ATOM 1357 C LEU A 87 -10.395 -5.615 -6.701 1.00 0.56 C ATOM 1358 O LEU A 87 -9.532 -6.434 -7.027 1.00 0.58 O ATOM 1359 CB LEU A 87 -9.987 -3.373 -7.849 1.00 0.72 C ATOM 1360 CG LEU A 87 -10.410 -1.890 -7.806 1.00 1.06 C ATOM 1361 CD1 LEU A 87 -9.414 -0.982 -7.065 1.00 1.70 C ATOM 1362 CD2 LEU A 87 -10.597 -1.361 -9.233 1.00 1.60 C ATOM 0 H LEU A 87 -7.995 -4.432 -6.299 1.00 0.48 H new ATOM 0 HA LEU A 87 -10.842 -3.675 -5.906 1.00 0.56 H new ATOM 0 HB2 LEU A 87 -8.967 -3.430 -8.229 1.00 0.72 H new ATOM 0 HB3 LEU A 87 -10.623 -3.892 -8.566 1.00 0.72 H new ATOM 0 HG LEU A 87 -11.346 -1.860 -7.248 1.00 1.06 H new ATOM 0 HD11 LEU A 87 -9.780 0.045 -7.077 1.00 1.70 H new ATOM 0 HD12 LEU A 87 -9.312 -1.319 -6.034 1.00 1.70 H new ATOM 0 HD13 LEU A 87 -8.443 -1.027 -7.559 1.00 1.70 H new ATOM 0 HD21 LEU A 87 -10.896 -0.313 -9.196 1.00 1.60 H new ATOM 0 HD22 LEU A 87 -9.659 -1.452 -9.781 1.00 1.60 H new ATOM 0 HD23 LEU A 87 -11.370 -1.941 -9.738 1.00 1.60 H new ATOM 1374 N GLY A 88 -11.671 -5.968 -6.513 1.00 0.62 N ATOM 1375 CA GLY A 88 -12.161 -7.341 -6.691 1.00 0.69 C ATOM 1376 C GLY A 88 -11.805 -8.259 -5.521 1.00 0.70 C ATOM 1377 O GLY A 88 -11.458 -9.417 -5.739 1.00 0.87 O ATOM 0 H GLY A 88 -12.396 -5.308 -6.232 1.00 0.62 H new ATOM 0 HA2 GLY A 88 -13.244 -7.321 -6.814 1.00 0.69 H new ATOM 0 HA3 GLY A 88 -11.744 -7.754 -7.609 1.00 0.69 H new ATOM 1381 N LEU A 89 -11.840 -7.736 -4.290 1.00 0.67 N ATOM 1382 CA LEU A 89 -11.577 -8.450 -3.036 1.00 0.74 C ATOM 1383 C LEU A 89 -12.296 -9.787 -2.846 1.00 0.88 C ATOM 1384 O LEU A 89 -13.346 -10.062 -3.422 1.00 1.04 O ATOM 1385 CB LEU A 89 -11.746 -7.518 -1.810 1.00 0.84 C ATOM 1386 CG LEU A 89 -12.994 -6.608 -1.767 1.00 0.84 C ATOM 1387 CD1 LEU A 89 -14.318 -7.384 -1.802 1.00 1.30 C ATOM 1388 CD2 LEU A 89 -12.951 -5.721 -0.518 1.00 1.28 C ATOM 0 H LEU A 89 -12.064 -6.753 -4.134 1.00 0.67 H new ATOM 0 HA LEU A 89 -10.531 -8.746 -3.120 1.00 0.74 H new ATOM 0 HB2 LEU A 89 -11.753 -8.139 -0.915 1.00 0.84 H new ATOM 0 HB3 LEU A 89 -10.864 -6.881 -1.749 1.00 0.84 H new ATOM 0 HG LEU A 89 -12.962 -5.999 -2.670 1.00 0.84 H new ATOM 0 HD11 LEU A 89 -15.152 -6.683 -1.769 1.00 1.30 H new ATOM 0 HD12 LEU A 89 -14.372 -7.969 -2.720 1.00 1.30 H new ATOM 0 HD13 LEU A 89 -14.371 -8.052 -0.942 1.00 1.30 H new ATOM 0 HD21 LEU A 89 -13.834 -5.082 -0.495 1.00 1.28 H new ATOM 0 HD22 LEU A 89 -12.933 -6.348 0.373 1.00 1.28 H new ATOM 0 HD23 LEU A 89 -12.055 -5.101 -0.543 1.00 1.28 H new ATOM 1400 N LYS A 90 -11.674 -10.630 -2.012 1.00 1.03 N ATOM 1401 CA LYS A 90 -12.118 -12.010 -1.745 1.00 1.23 C ATOM 1402 C LYS A 90 -12.460 -12.283 -0.264 1.00 1.47 C ATOM 1403 O LYS A 90 -13.198 -13.222 0.029 1.00 1.67 O ATOM 1404 CB LYS A 90 -11.091 -13.025 -2.283 1.00 1.07 C ATOM 1405 CG LYS A 90 -10.590 -12.774 -3.722 1.00 1.02 C ATOM 1406 CD LYS A 90 -11.677 -12.761 -4.806 1.00 1.61 C ATOM 1407 CE LYS A 90 -11.092 -12.413 -6.184 1.00 1.60 C ATOM 1408 NZ LYS A 90 -12.163 -12.139 -7.178 1.00 2.70 N ATOM 0 H LYS A 90 -10.834 -10.371 -1.494 1.00 1.03 H new ATOM 0 HA LYS A 90 -13.057 -12.137 -2.284 1.00 1.23 H new ATOM 0 HB2 LYS A 90 -10.230 -13.032 -1.614 1.00 1.07 H new ATOM 0 HB3 LYS A 90 -11.535 -14.020 -2.241 1.00 1.07 H new ATOM 0 HG2 LYS A 90 -10.067 -11.818 -3.745 1.00 1.02 H new ATOM 0 HG3 LYS A 90 -9.860 -13.543 -3.973 1.00 1.02 H new ATOM 0 HD2 LYS A 90 -12.160 -13.737 -4.850 1.00 1.61 H new ATOM 0 HD3 LYS A 90 -12.447 -12.036 -4.542 1.00 1.61 H new ATOM 0 HE2 LYS A 90 -10.445 -11.541 -6.096 1.00 1.60 H new ATOM 0 HE3 LYS A 90 -10.471 -13.237 -6.535 1.00 1.60 H new ATOM 0 HZ1 LYS A 90 -11.997 -12.707 -8.033 1.00 2.70 H new ATOM 0 HZ2 LYS A 90 -13.087 -12.389 -6.771 1.00 2.70 H new ATOM 0 HZ3 LYS A 90 -12.156 -11.129 -7.427 1.00 2.70 H new ATOM 1422 N ARG A 91 -11.978 -11.436 0.657 1.00 1.59 N ATOM 1423 CA ARG A 91 -12.534 -11.304 2.019 1.00 1.85 C ATOM 1424 C ARG A 91 -13.501 -10.112 2.038 1.00 1.42 C ATOM 1425 O ARG A 91 -13.186 -9.095 1.414 1.00 1.24 O ATOM 1426 CB ARG A 91 -11.456 -11.072 3.093 1.00 2.29 C ATOM 1427 CG ARG A 91 -10.850 -12.376 3.634 1.00 2.56 C ATOM 1428 CD ARG A 91 -9.837 -12.060 4.750 1.00 3.81 C ATOM 1429 NE ARG A 91 -9.200 -13.263 5.311 1.00 4.18 N ATOM 1430 CZ ARG A 91 -9.622 -13.980 6.348 1.00 4.60 C ATOM 1431 NH1 ARG A 91 -10.783 -13.783 6.934 1.00 5.10 N ATOM 1432 NH2 ARG A 91 -8.828 -14.906 6.834 1.00 5.35 N ATOM 0 H ARG A 91 -11.186 -10.818 0.480 1.00 1.59 H new ATOM 0 HA ARG A 91 -13.035 -12.243 2.257 1.00 1.85 H new ATOM 0 HB2 ARG A 91 -10.661 -10.456 2.673 1.00 2.29 H new ATOM 0 HB3 ARG A 91 -11.891 -10.511 3.920 1.00 2.29 H new ATOM 0 HG2 ARG A 91 -11.639 -13.021 4.019 1.00 2.56 H new ATOM 0 HG3 ARG A 91 -10.358 -12.920 2.828 1.00 2.56 H new ATOM 0 HD2 ARG A 91 -9.066 -11.399 4.355 1.00 3.81 H new ATOM 0 HD3 ARG A 91 -10.343 -11.518 5.549 1.00 3.81 H new ATOM 0 HE ARG A 91 -8.344 -13.580 4.856 1.00 4.18 H new ATOM 0 HH11 ARG A 91 -11.408 -13.051 6.595 1.00 5.10 H new ATOM 0 HH12 ARG A 91 -11.059 -14.362 7.727 1.00 5.10 H new ATOM 0 HH21 ARG A 91 -7.911 -15.062 6.416 1.00 5.35 H new ATOM 0 HH22 ARG A 91 -9.129 -15.470 7.629 1.00 5.35 H new ATOM 1446 N PRO A 92 -14.645 -10.192 2.742 1.00 1.47 N ATOM 1447 CA PRO A 92 -15.635 -9.123 2.798 1.00 1.17 C ATOM 1448 C PRO A 92 -15.220 -8.079 3.849 1.00 1.64 C ATOM 1449 O PRO A 92 -15.969 -7.834 4.784 1.00 3.07 O ATOM 1450 CB PRO A 92 -16.944 -9.855 3.124 1.00 1.43 C ATOM 1451 CG PRO A 92 -16.479 -10.963 4.069 1.00 1.83 C ATOM 1452 CD PRO A 92 -15.119 -11.352 3.492 1.00 2.06 C ATOM 0 HA PRO A 92 -15.738 -8.551 1.876 1.00 1.17 H new ATOM 0 HB2 PRO A 92 -17.670 -9.195 3.599 1.00 1.43 H new ATOM 0 HB3 PRO A 92 -17.417 -10.258 2.229 1.00 1.43 H new ATOM 0 HG2 PRO A 92 -16.396 -10.610 5.097 1.00 1.83 H new ATOM 0 HG3 PRO A 92 -17.171 -11.805 4.076 1.00 1.83 H new ATOM 0 HD2 PRO A 92 -14.420 -11.613 4.286 1.00 2.06 H new ATOM 0 HD3 PRO A 92 -15.206 -12.224 2.844 1.00 2.06 H new ATOM 1460 N LEU A 93 -14.021 -7.496 3.695 1.00 1.24 N ATOM 1461 CA LEU A 93 -13.187 -6.811 4.697 1.00 1.41 C ATOM 1462 C LEU A 93 -13.910 -6.250 5.936 1.00 1.30 C ATOM 1463 O LEU A 93 -14.559 -5.199 5.888 1.00 1.69 O ATOM 1464 CB LEU A 93 -12.355 -5.724 3.985 1.00 1.77 C ATOM 1465 CG LEU A 93 -11.365 -6.244 2.920 1.00 1.33 C ATOM 1466 CD1 LEU A 93 -10.698 -5.052 2.227 1.00 2.20 C ATOM 1467 CD2 LEU A 93 -10.271 -7.150 3.499 1.00 1.99 C ATOM 0 H LEU A 93 -13.568 -7.491 2.781 1.00 1.24 H new ATOM 0 HA LEU A 93 -12.551 -7.584 5.129 1.00 1.41 H new ATOM 0 HB2 LEU A 93 -13.038 -5.020 3.510 1.00 1.77 H new ATOM 0 HB3 LEU A 93 -11.795 -5.167 4.737 1.00 1.77 H new ATOM 0 HG LEU A 93 -11.945 -6.843 2.218 1.00 1.33 H new ATOM 0 HD11 LEU A 93 -9.998 -5.414 1.474 1.00 2.20 H new ATOM 0 HD12 LEU A 93 -11.460 -4.437 1.748 1.00 2.20 H new ATOM 0 HD13 LEU A 93 -10.161 -4.456 2.965 1.00 2.20 H new ATOM 0 HD21 LEU A 93 -9.610 -7.480 2.698 1.00 1.99 H new ATOM 0 HD22 LEU A 93 -9.694 -6.596 4.240 1.00 1.99 H new ATOM 0 HD23 LEU A 93 -10.730 -8.018 3.972 1.00 1.99 H new ATOM 1479 N LYS A 94 -13.756 -6.945 7.065 1.00 1.07 N ATOM 1480 CA LYS A 94 -14.179 -6.524 8.407 1.00 1.12 C ATOM 1481 C LYS A 94 -13.045 -6.402 9.432 1.00 1.19 C ATOM 1482 O LYS A 94 -11.990 -7.021 9.321 1.00 1.66 O ATOM 1483 CB LYS A 94 -15.269 -7.479 8.951 1.00 1.33 C ATOM 1484 CG LYS A 94 -16.566 -7.510 8.133 1.00 2.10 C ATOM 1485 CD LYS A 94 -17.284 -6.153 8.085 1.00 3.64 C ATOM 1486 CE LYS A 94 -18.137 -5.928 6.828 1.00 5.46 C ATOM 1487 NZ LYS A 94 -17.291 -5.594 5.655 1.00 6.57 N ATOM 0 H LYS A 94 -13.311 -7.863 7.071 1.00 1.07 H new ATOM 0 HA LYS A 94 -14.574 -5.517 8.277 1.00 1.12 H new ATOM 0 HB2 LYS A 94 -14.859 -8.488 8.994 1.00 1.33 H new ATOM 0 HB3 LYS A 94 -15.508 -7.189 9.974 1.00 1.33 H new ATOM 0 HG2 LYS A 94 -16.339 -7.830 7.116 1.00 2.10 H new ATOM 0 HG3 LYS A 94 -17.239 -8.255 8.559 1.00 2.10 H new ATOM 0 HD2 LYS A 94 -17.923 -6.063 8.963 1.00 3.64 H new ATOM 0 HD3 LYS A 94 -16.539 -5.360 8.150 1.00 3.64 H new ATOM 0 HE2 LYS A 94 -18.719 -6.825 6.616 1.00 5.46 H new ATOM 0 HE3 LYS A 94 -18.848 -5.122 7.008 1.00 5.46 H new ATOM 0 HZ1 LYS A 94 -17.812 -4.953 5.023 1.00 6.57 H new ATOM 0 HZ2 LYS A 94 -16.418 -5.129 5.977 1.00 6.57 H new ATOM 0 HZ3 LYS A 94 -17.049 -6.466 5.142 1.00 6.57 H new ATOM 1501 N ALA A 95 -13.340 -5.603 10.461 1.00 1.18 N ATOM 1502 CA ALA A 95 -12.553 -5.486 11.672 1.00 1.42 C ATOM 1503 C ALA A 95 -12.328 -6.875 12.277 1.00 1.42 C ATOM 1504 O ALA A 95 -13.228 -7.720 12.321 1.00 1.56 O ATOM 1505 CB ALA A 95 -13.259 -4.519 12.634 1.00 1.76 C ATOM 0 H ALA A 95 -14.164 -5.002 10.465 1.00 1.18 H new ATOM 0 HA ALA A 95 -11.567 -5.074 11.458 1.00 1.42 H new ATOM 0 HB1 ALA A 95 -12.674 -4.424 13.549 1.00 1.76 H new ATOM 0 HB2 ALA A 95 -13.355 -3.541 12.162 1.00 1.76 H new ATOM 0 HB3 ALA A 95 -14.250 -4.904 12.875 1.00 1.76 H new ATOM 1511 N GLY A 96 -11.081 -7.105 12.648 1.00 1.44 N ATOM 1512 CA GLY A 96 -10.568 -8.376 13.157 1.00 1.56 C ATOM 1513 C GLY A 96 -10.257 -9.443 12.100 1.00 1.41 C ATOM 1514 O GLY A 96 -9.840 -10.529 12.496 1.00 1.78 O ATOM 0 H GLY A 96 -10.362 -6.383 12.603 1.00 1.44 H new ATOM 0 HA2 GLY A 96 -9.658 -8.178 13.724 1.00 1.56 H new ATOM 0 HA3 GLY A 96 -11.297 -8.786 13.856 1.00 1.56 H new ATOM 1518 N GLU A 97 -10.428 -9.189 10.793 1.00 1.19 N ATOM 1519 CA GLU A 97 -9.867 -10.082 9.768 1.00 1.15 C ATOM 1520 C GLU A 97 -8.343 -9.887 9.634 1.00 1.08 C ATOM 1521 O GLU A 97 -7.709 -9.042 10.270 1.00 1.06 O ATOM 1522 CB GLU A 97 -10.577 -9.981 8.397 1.00 1.07 C ATOM 1523 CG GLU A 97 -12.012 -10.516 8.377 1.00 1.36 C ATOM 1524 CD GLU A 97 -12.556 -10.617 6.946 1.00 1.51 C ATOM 1525 OE1 GLU A 97 -12.924 -9.577 6.365 1.00 2.40 O ATOM 1526 OE2 GLU A 97 -12.539 -11.743 6.394 1.00 2.23 O ATOM 0 H GLU A 97 -10.941 -8.387 10.426 1.00 1.19 H new ATOM 0 HA GLU A 97 -10.055 -11.097 10.119 1.00 1.15 H new ATOM 0 HB2 GLU A 97 -10.589 -8.936 8.086 1.00 1.07 H new ATOM 0 HB3 GLU A 97 -9.990 -10.527 7.658 1.00 1.07 H new ATOM 0 HG2 GLU A 97 -12.042 -11.498 8.848 1.00 1.36 H new ATOM 0 HG3 GLU A 97 -12.654 -9.860 8.966 1.00 1.36 H new ATOM 1533 N GLU A 98 -7.749 -10.684 8.756 1.00 1.14 N ATOM 1534 CA GLU A 98 -6.351 -11.045 8.660 1.00 1.20 C ATOM 1535 C GLU A 98 -6.089 -11.200 7.162 1.00 0.99 C ATOM 1536 O GLU A 98 -6.859 -11.841 6.440 1.00 1.25 O ATOM 1537 CB GLU A 98 -6.099 -12.359 9.444 1.00 1.84 C ATOM 1538 CG GLU A 98 -6.874 -13.542 8.834 1.00 3.21 C ATOM 1539 CD GLU A 98 -6.937 -14.823 9.649 1.00 4.07 C ATOM 1540 OE1 GLU A 98 -6.031 -15.060 10.471 1.00 4.16 O ATOM 1541 OE2 GLU A 98 -7.886 -15.590 9.343 1.00 5.22 O ATOM 0 H GLU A 98 -8.294 -11.136 8.022 1.00 1.14 H new ATOM 0 HA GLU A 98 -5.680 -10.303 9.093 1.00 1.20 H new ATOM 0 HB2 GLU A 98 -5.032 -12.584 9.445 1.00 1.84 H new ATOM 0 HB3 GLU A 98 -6.397 -12.226 10.484 1.00 1.84 H new ATOM 0 HG2 GLU A 98 -7.895 -13.214 8.641 1.00 3.21 H new ATOM 0 HG3 GLU A 98 -6.427 -13.777 7.868 1.00 3.21 H new ATOM 1548 N VAL A 99 -5.045 -10.558 6.668 1.00 0.77 N ATOM 1549 CA VAL A 99 -4.701 -10.526 5.241 1.00 0.69 C ATOM 1550 C VAL A 99 -3.187 -10.535 5.060 1.00 0.65 C ATOM 1551 O VAL A 99 -2.490 -9.625 5.505 1.00 0.70 O ATOM 1552 CB VAL A 99 -5.335 -9.295 4.549 1.00 0.76 C ATOM 1553 CG1 VAL A 99 -4.771 -9.096 3.134 1.00 1.04 C ATOM 1554 CG2 VAL A 99 -6.865 -9.442 4.446 1.00 0.89 C ATOM 0 H VAL A 99 -4.395 -10.032 7.251 1.00 0.77 H new ATOM 0 HA VAL A 99 -5.108 -11.420 4.768 1.00 0.69 H new ATOM 0 HB VAL A 99 -5.089 -8.429 5.164 1.00 0.76 H new ATOM 0 HG11 VAL A 99 -5.237 -8.224 2.676 1.00 1.04 H new ATOM 0 HG12 VAL A 99 -3.693 -8.944 3.190 1.00 1.04 H new ATOM 0 HG13 VAL A 99 -4.982 -9.979 2.531 1.00 1.04 H new ATOM 0 HG21 VAL A 99 -7.283 -8.563 3.956 1.00 0.89 H new ATOM 0 HG22 VAL A 99 -7.107 -10.331 3.864 1.00 0.89 H new ATOM 0 HG23 VAL A 99 -7.290 -9.536 5.445 1.00 0.89 H new ATOM 1564 N GLU A 100 -2.685 -11.541 4.342 1.00 0.72 N ATOM 1565 CA GLU A 100 -1.306 -11.551 3.856 1.00 0.76 C ATOM 1566 C GLU A 100 -1.146 -10.669 2.606 1.00 0.73 C ATOM 1567 O GLU A 100 -2.096 -10.461 1.841 1.00 0.68 O ATOM 1568 CB GLU A 100 -0.802 -12.988 3.625 1.00 0.98 C ATOM 1569 CG GLU A 100 -1.501 -13.675 2.445 1.00 1.67 C ATOM 1570 CD GLU A 100 -1.008 -15.090 2.147 1.00 1.74 C ATOM 1571 OE1 GLU A 100 0.131 -15.441 2.536 1.00 1.89 O ATOM 1572 OE2 GLU A 100 -1.734 -15.781 1.407 1.00 2.83 O ATOM 0 H GLU A 100 -3.221 -12.369 4.082 1.00 0.72 H new ATOM 0 HA GLU A 100 -0.676 -11.117 4.632 1.00 0.76 H new ATOM 0 HB2 GLU A 100 0.273 -12.968 3.444 1.00 0.98 H new ATOM 0 HB3 GLU A 100 -0.962 -13.575 4.529 1.00 0.98 H new ATOM 0 HG2 GLU A 100 -2.572 -13.713 2.646 1.00 1.67 H new ATOM 0 HG3 GLU A 100 -1.366 -13.062 1.554 1.00 1.67 H new ATOM 1579 N LEU A 101 0.082 -10.183 2.396 1.00 0.84 N ATOM 1580 CA LEU A 101 0.506 -9.510 1.172 1.00 0.76 C ATOM 1581 C LEU A 101 2.000 -9.736 0.916 1.00 0.69 C ATOM 1582 O LEU A 101 2.834 -9.805 1.828 1.00 0.75 O ATOM 1583 CB LEU A 101 0.032 -8.035 1.181 1.00 0.80 C ATOM 1584 CG LEU A 101 0.375 -7.112 -0.007 1.00 1.57 C ATOM 1585 CD1 LEU A 101 -0.634 -5.950 -0.046 1.00 2.13 C ATOM 1586 CD2 LEU A 101 1.786 -6.513 0.095 1.00 2.85 C ATOM 0 H LEU A 101 0.824 -10.250 3.092 1.00 0.84 H new ATOM 0 HA LEU A 101 0.020 -9.951 0.302 1.00 0.76 H new ATOM 0 HB2 LEU A 101 -1.053 -8.043 1.284 1.00 0.80 H new ATOM 0 HB3 LEU A 101 0.434 -7.570 2.081 1.00 0.80 H new ATOM 0 HG LEU A 101 0.330 -7.721 -0.910 1.00 1.57 H new ATOM 0 HD11 LEU A 101 -0.399 -5.292 -0.883 1.00 2.13 H new ATOM 0 HD12 LEU A 101 -1.642 -6.347 -0.168 1.00 2.13 H new ATOM 0 HD13 LEU A 101 -0.576 -5.387 0.885 1.00 2.13 H new ATOM 0 HD21 LEU A 101 1.973 -5.873 -0.767 1.00 2.85 H new ATOM 0 HD22 LEU A 101 1.866 -5.924 1.009 1.00 2.85 H new ATOM 0 HD23 LEU A 101 2.522 -7.317 0.116 1.00 2.85 H new ATOM 1598 N ASP A 102 2.276 -9.884 -0.374 1.00 0.72 N ATOM 1599 CA ASP A 102 3.508 -10.315 -1.013 1.00 0.76 C ATOM 1600 C ASP A 102 4.036 -9.122 -1.825 1.00 0.80 C ATOM 1601 O ASP A 102 3.487 -8.764 -2.871 1.00 1.31 O ATOM 1602 CB ASP A 102 3.183 -11.505 -1.950 1.00 0.98 C ATOM 1603 CG ASP A 102 2.549 -12.756 -1.311 1.00 1.35 C ATOM 1604 OD1 ASP A 102 1.742 -12.645 -0.360 1.00 2.42 O ATOM 1605 OD2 ASP A 102 2.864 -13.877 -1.770 1.00 1.94 O ATOM 0 H ASP A 102 1.561 -9.682 -1.073 1.00 0.72 H new ATOM 0 HA ASP A 102 4.256 -10.634 -0.287 1.00 0.76 H new ATOM 0 HB2 ASP A 102 2.510 -11.147 -2.729 1.00 0.98 H new ATOM 0 HB3 ASP A 102 4.107 -11.809 -2.442 1.00 0.98 H new ATOM 1610 N LEU A 103 5.073 -8.451 -1.324 1.00 0.65 N ATOM 1611 CA LEU A 103 5.596 -7.205 -1.888 1.00 0.58 C ATOM 1612 C LEU A 103 6.538 -7.524 -3.058 1.00 0.61 C ATOM 1613 O LEU A 103 7.439 -8.354 -2.919 1.00 0.72 O ATOM 1614 CB LEU A 103 6.294 -6.388 -0.780 1.00 0.63 C ATOM 1615 CG LEU A 103 5.366 -5.807 0.316 1.00 0.67 C ATOM 1616 CD1 LEU A 103 5.050 -6.803 1.442 1.00 0.80 C ATOM 1617 CD2 LEU A 103 6.029 -4.588 0.970 1.00 0.96 C ATOM 0 H LEU A 103 5.584 -8.764 -0.498 1.00 0.65 H new ATOM 0 HA LEU A 103 4.781 -6.596 -2.280 1.00 0.58 H new ATOM 0 HB2 LEU A 103 7.038 -7.024 -0.300 1.00 0.63 H new ATOM 0 HB3 LEU A 103 6.833 -5.564 -1.247 1.00 0.63 H new ATOM 0 HG LEU A 103 4.437 -5.550 -0.193 1.00 0.67 H new ATOM 0 HD11 LEU A 103 4.396 -6.329 2.174 1.00 0.80 H new ATOM 0 HD12 LEU A 103 4.553 -7.679 1.024 1.00 0.80 H new ATOM 0 HD13 LEU A 103 5.977 -7.109 1.928 1.00 0.80 H new ATOM 0 HD21 LEU A 103 5.371 -4.185 1.740 1.00 0.96 H new ATOM 0 HD22 LEU A 103 6.975 -4.887 1.422 1.00 0.96 H new ATOM 0 HD23 LEU A 103 6.213 -3.825 0.214 1.00 0.96 H new ATOM 1629 N LEU A 104 6.327 -6.879 -4.216 1.00 0.57 N ATOM 1630 CA LEU A 104 7.004 -7.194 -5.483 1.00 0.54 C ATOM 1631 C LEU A 104 8.063 -6.135 -5.833 1.00 0.46 C ATOM 1632 O LEU A 104 7.760 -4.943 -5.960 1.00 0.50 O ATOM 1633 CB LEU A 104 5.955 -7.303 -6.610 1.00 0.59 C ATOM 1634 CG LEU A 104 4.836 -8.347 -6.411 1.00 0.70 C ATOM 1635 CD1 LEU A 104 3.968 -8.424 -7.675 1.00 0.76 C ATOM 1636 CD2 LEU A 104 5.371 -9.750 -6.084 1.00 0.84 C ATOM 0 H LEU A 104 5.666 -6.107 -4.299 1.00 0.57 H new ATOM 0 HA LEU A 104 7.521 -8.147 -5.373 1.00 0.54 H new ATOM 0 HB2 LEU A 104 5.490 -6.325 -6.739 1.00 0.59 H new ATOM 0 HB3 LEU A 104 6.476 -7.534 -7.539 1.00 0.59 H new ATOM 0 HG LEU A 104 4.248 -8.015 -5.555 1.00 0.70 H new ATOM 0 HD11 LEU A 104 3.179 -9.162 -7.530 1.00 0.76 H new ATOM 0 HD12 LEU A 104 3.521 -7.449 -7.870 1.00 0.76 H new ATOM 0 HD13 LEU A 104 4.586 -8.716 -8.524 1.00 0.76 H new ATOM 0 HD21 LEU A 104 4.535 -10.437 -5.956 1.00 0.84 H new ATOM 0 HD22 LEU A 104 6.004 -10.097 -6.900 1.00 0.84 H new ATOM 0 HD23 LEU A 104 5.954 -9.712 -5.164 1.00 0.84 H new ATOM 1648 N PHE A 105 9.306 -6.580 -6.032 1.00 0.51 N ATOM 1649 CA PHE A 105 10.487 -5.729 -6.182 1.00 0.55 C ATOM 1650 C PHE A 105 11.219 -5.976 -7.510 1.00 0.61 C ATOM 1651 O PHE A 105 11.327 -7.111 -7.989 1.00 0.81 O ATOM 1652 CB PHE A 105 11.415 -6.015 -5.000 1.00 0.60 C ATOM 1653 CG PHE A 105 10.850 -5.588 -3.661 1.00 0.60 C ATOM 1654 CD1 PHE A 105 10.943 -4.240 -3.279 1.00 1.98 C ATOM 1655 CD2 PHE A 105 10.237 -6.518 -2.795 1.00 1.70 C ATOM 1656 CE1 PHE A 105 10.474 -3.827 -2.024 1.00 2.04 C ATOM 1657 CE2 PHE A 105 9.758 -6.097 -1.546 1.00 1.67 C ATOM 1658 CZ PHE A 105 9.889 -4.759 -1.149 1.00 0.71 C ATOM 0 H PHE A 105 9.524 -7.574 -6.095 1.00 0.51 H new ATOM 0 HA PHE A 105 10.177 -4.684 -6.194 1.00 0.55 H new ATOM 0 HB2 PHE A 105 11.630 -7.083 -4.969 1.00 0.60 H new ATOM 0 HB3 PHE A 105 12.364 -5.504 -5.163 1.00 0.60 H new ATOM 0 HD1 PHE A 105 11.378 -3.518 -3.955 1.00 1.98 H new ATOM 0 HD2 PHE A 105 10.137 -7.551 -3.093 1.00 1.70 H new ATOM 0 HE1 PHE A 105 10.562 -2.792 -1.729 1.00 2.04 H new ATOM 0 HE2 PHE A 105 9.285 -6.809 -0.885 1.00 1.67 H new ATOM 0 HZ PHE A 105 9.542 -4.446 -0.175 1.00 0.71 H new ATOM 1668 N ALA A 106 11.779 -4.904 -8.083 1.00 0.57 N ATOM 1669 CA ALA A 106 12.611 -4.963 -9.284 1.00 0.63 C ATOM 1670 C ALA A 106 13.843 -5.872 -9.089 1.00 1.30 C ATOM 1671 O ALA A 106 14.348 -6.043 -7.977 1.00 1.92 O ATOM 1672 CB ALA A 106 13.006 -3.538 -9.697 1.00 1.10 C ATOM 0 H ALA A 106 11.663 -3.959 -7.718 1.00 0.57 H new ATOM 0 HA ALA A 106 12.033 -5.414 -10.091 1.00 0.63 H new ATOM 0 HB1 ALA A 106 13.627 -3.577 -10.592 1.00 1.10 H new ATOM 0 HB2 ALA A 106 12.107 -2.957 -9.904 1.00 1.10 H new ATOM 0 HB3 ALA A 106 13.565 -3.067 -8.889 1.00 1.10 H new ATOM 1678 N GLY A 107 14.326 -6.479 -10.181 1.00 2.12 N ATOM 1679 CA GLY A 107 15.501 -7.364 -10.160 1.00 3.02 C ATOM 1680 C GLY A 107 15.232 -8.770 -9.610 1.00 2.66 C ATOM 1681 O GLY A 107 16.186 -9.508 -9.366 1.00 3.57 O ATOM 0 H GLY A 107 13.913 -6.371 -11.107 1.00 2.12 H new ATOM 0 HA2 GLY A 107 15.890 -7.453 -11.174 1.00 3.02 H new ATOM 0 HA3 GLY A 107 16.281 -6.896 -9.559 1.00 3.02 H new ATOM 1685 N GLY A 108 13.969 -9.147 -9.370 1.00 1.69 N ATOM 1686 CA GLY A 108 13.567 -10.504 -8.975 1.00 1.63 C ATOM 1687 C GLY A 108 13.744 -10.777 -7.482 1.00 1.72 C ATOM 1688 O GLY A 108 14.596 -11.577 -7.093 1.00 2.45 O ATOM 0 H GLY A 108 13.181 -8.503 -9.447 1.00 1.69 H new ATOM 0 HA2 GLY A 108 12.522 -10.659 -9.244 1.00 1.63 H new ATOM 0 HA3 GLY A 108 14.152 -11.228 -9.541 1.00 1.63 H new ATOM 1692 N LYS A 109 12.972 -10.085 -6.641 1.00 1.15 N ATOM 1693 CA LYS A 109 12.844 -10.320 -5.200 1.00 1.11 C ATOM 1694 C LYS A 109 11.380 -10.202 -4.738 1.00 1.03 C ATOM 1695 O LYS A 109 10.611 -9.451 -5.335 1.00 0.87 O ATOM 1696 CB LYS A 109 13.719 -9.313 -4.433 1.00 1.11 C ATOM 1697 CG LYS A 109 15.219 -9.524 -4.647 1.00 1.42 C ATOM 1698 CD LYS A 109 15.843 -8.670 -5.767 1.00 1.77 C ATOM 1699 CE LYS A 109 17.249 -9.178 -6.119 1.00 2.59 C ATOM 1700 NZ LYS A 109 17.210 -10.420 -6.936 1.00 3.79 N ATOM 0 H LYS A 109 12.392 -9.309 -6.961 1.00 1.15 H new ATOM 0 HA LYS A 109 13.180 -11.335 -4.990 1.00 1.11 H new ATOM 0 HB2 LYS A 109 13.454 -8.302 -4.744 1.00 1.11 H new ATOM 0 HB3 LYS A 109 13.497 -9.388 -3.368 1.00 1.11 H new ATOM 0 HG2 LYS A 109 15.738 -9.307 -3.713 1.00 1.42 H new ATOM 0 HG3 LYS A 109 15.394 -10.576 -4.872 1.00 1.42 H new ATOM 0 HD2 LYS A 109 15.208 -8.702 -6.652 1.00 1.77 H new ATOM 0 HD3 LYS A 109 15.896 -7.628 -5.450 1.00 1.77 H new ATOM 0 HE2 LYS A 109 17.787 -8.403 -6.665 1.00 2.59 H new ATOM 0 HE3 LYS A 109 17.806 -9.366 -5.201 1.00 2.59 H new ATOM 0 HZ1 LYS A 109 18.055 -10.993 -6.737 1.00 3.79 H new ATOM 0 HZ2 LYS A 109 16.357 -10.966 -6.698 1.00 3.79 H new ATOM 0 HZ3 LYS A 109 17.191 -10.171 -7.946 1.00 3.79 H new ATOM 1714 N VAL A 110 11.030 -10.898 -3.654 1.00 1.30 N ATOM 1715 CA VAL A 110 9.700 -10.884 -3.035 1.00 1.25 C ATOM 1716 C VAL A 110 9.800 -10.941 -1.506 1.00 1.33 C ATOM 1717 O VAL A 110 10.743 -11.538 -0.984 1.00 1.55 O ATOM 1718 CB VAL A 110 8.833 -12.034 -3.599 1.00 1.35 C ATOM 1719 CG1 VAL A 110 9.346 -13.431 -3.199 1.00 2.44 C ATOM 1720 CG2 VAL A 110 7.349 -11.906 -3.226 1.00 2.24 C ATOM 0 H VAL A 110 11.686 -11.508 -3.166 1.00 1.30 H new ATOM 0 HA VAL A 110 9.210 -9.943 -3.286 1.00 1.25 H new ATOM 0 HB VAL A 110 8.924 -11.935 -4.681 1.00 1.35 H new ATOM 0 HG11 VAL A 110 8.695 -14.194 -3.626 1.00 2.44 H new ATOM 0 HG12 VAL A 110 10.360 -13.568 -3.575 1.00 2.44 H new ATOM 0 HG13 VAL A 110 9.347 -13.521 -2.113 1.00 2.44 H new ATOM 0 HG21 VAL A 110 6.794 -12.742 -3.651 1.00 2.24 H new ATOM 0 HG22 VAL A 110 7.244 -11.915 -2.141 1.00 2.24 H new ATOM 0 HG23 VAL A 110 6.954 -10.970 -3.621 1.00 2.24 H new ATOM 1730 N LEU A 111 8.844 -10.319 -0.803 1.00 1.18 N ATOM 1731 CA LEU A 111 8.814 -10.225 0.663 1.00 1.31 C ATOM 1732 C LEU A 111 7.370 -10.404 1.152 1.00 1.13 C ATOM 1733 O LEU A 111 6.500 -9.608 0.816 1.00 1.26 O ATOM 1734 CB LEU A 111 9.426 -8.856 1.030 1.00 1.40 C ATOM 1735 CG LEU A 111 9.914 -8.648 2.475 1.00 1.74 C ATOM 1736 CD1 LEU A 111 10.741 -7.351 2.510 1.00 3.42 C ATOM 1737 CD2 LEU A 111 8.765 -8.542 3.487 1.00 2.30 C ATOM 0 H LEU A 111 8.051 -9.856 -1.248 1.00 1.18 H new ATOM 0 HA LEU A 111 9.394 -11.007 1.152 1.00 1.31 H new ATOM 0 HB2 LEU A 111 10.270 -8.678 0.363 1.00 1.40 H new ATOM 0 HB3 LEU A 111 8.682 -8.089 0.815 1.00 1.40 H new ATOM 0 HG LEU A 111 10.505 -9.518 2.762 1.00 1.74 H new ATOM 0 HD11 LEU A 111 11.101 -7.177 3.524 1.00 3.42 H new ATOM 0 HD12 LEU A 111 11.591 -7.443 1.834 1.00 3.42 H new ATOM 0 HD13 LEU A 111 10.117 -6.513 2.197 1.00 3.42 H new ATOM 0 HD21 LEU A 111 9.173 -8.396 4.487 1.00 2.30 H new ATOM 0 HD22 LEU A 111 8.129 -7.696 3.228 1.00 2.30 H new ATOM 0 HD23 LEU A 111 8.176 -9.459 3.466 1.00 2.30 H new ATOM 1749 N LYS A 112 7.076 -11.462 1.917 1.00 1.05 N ATOM 1750 CA LYS A 112 5.724 -11.695 2.457 1.00 1.06 C ATOM 1751 C LYS A 112 5.559 -11.114 3.869 1.00 1.02 C ATOM 1752 O LYS A 112 6.415 -11.313 4.728 1.00 1.21 O ATOM 1753 CB LYS A 112 5.380 -13.197 2.435 1.00 1.46 C ATOM 1754 CG LYS A 112 5.104 -13.684 1.004 1.00 2.05 C ATOM 1755 CD LYS A 112 4.693 -15.164 0.924 1.00 2.41 C ATOM 1756 CE LYS A 112 3.347 -15.504 1.594 1.00 1.38 C ATOM 1757 NZ LYS A 112 2.174 -15.044 0.814 1.00 1.93 N ATOM 0 H LYS A 112 7.757 -12.175 2.179 1.00 1.05 H new ATOM 0 HA LYS A 112 5.021 -11.169 1.811 1.00 1.06 H new ATOM 0 HB2 LYS A 112 6.204 -13.768 2.863 1.00 1.46 H new ATOM 0 HB3 LYS A 112 4.506 -13.382 3.060 1.00 1.46 H new ATOM 0 HG2 LYS A 112 4.314 -13.073 0.567 1.00 2.05 H new ATOM 0 HG3 LYS A 112 5.997 -13.531 0.399 1.00 2.05 H new ATOM 0 HD2 LYS A 112 4.643 -15.455 -0.125 1.00 2.41 H new ATOM 0 HD3 LYS A 112 5.474 -15.768 1.386 1.00 2.41 H new ATOM 0 HE2 LYS A 112 3.281 -16.583 1.735 1.00 1.38 H new ATOM 0 HE3 LYS A 112 3.317 -15.051 2.585 1.00 1.38 H new ATOM 0 HZ1 LYS A 112 1.301 -15.361 1.281 1.00 1.93 H new ATOM 0 HZ2 LYS A 112 2.180 -14.006 0.758 1.00 1.93 H new ATOM 0 HZ3 LYS A 112 2.217 -15.442 -0.146 1.00 1.93 H new ATOM 1771 N VAL A 113 4.425 -10.452 4.110 1.00 0.87 N ATOM 1772 CA VAL A 113 3.990 -9.927 5.416 1.00 0.89 C ATOM 1773 C VAL A 113 2.532 -10.354 5.660 1.00 0.85 C ATOM 1774 O VAL A 113 1.842 -10.774 4.732 1.00 0.97 O ATOM 1775 CB VAL A 113 4.132 -8.383 5.476 1.00 0.97 C ATOM 1776 CG1 VAL A 113 3.840 -7.809 6.870 1.00 2.13 C ATOM 1777 CG2 VAL A 113 5.529 -7.898 5.050 1.00 2.13 C ATOM 0 H VAL A 113 3.751 -10.256 3.370 1.00 0.87 H new ATOM 0 HA VAL A 113 4.627 -10.337 6.199 1.00 0.89 H new ATOM 0 HB VAL A 113 3.386 -8.018 4.770 1.00 0.97 H new ATOM 0 HG11 VAL A 113 3.956 -6.725 6.849 1.00 2.13 H new ATOM 0 HG12 VAL A 113 2.820 -8.059 7.160 1.00 2.13 H new ATOM 0 HG13 VAL A 113 4.537 -8.234 7.592 1.00 2.13 H new ATOM 0 HG21 VAL A 113 5.571 -6.811 5.111 1.00 2.13 H new ATOM 0 HG22 VAL A 113 6.281 -8.328 5.712 1.00 2.13 H new ATOM 0 HG23 VAL A 113 5.726 -8.211 4.025 1.00 2.13 H new ATOM 1787 N VAL A 114 2.061 -10.236 6.904 1.00 0.88 N ATOM 1788 CA VAL A 114 0.661 -10.445 7.306 1.00 0.85 C ATOM 1789 C VAL A 114 0.200 -9.242 8.125 1.00 0.91 C ATOM 1790 O VAL A 114 0.882 -8.824 9.059 1.00 1.24 O ATOM 1791 CB VAL A 114 0.442 -11.755 8.103 1.00 1.06 C ATOM 1792 CG1 VAL A 114 -1.056 -11.988 8.369 1.00 1.71 C ATOM 1793 CG2 VAL A 114 1.004 -12.977 7.356 1.00 1.55 C ATOM 0 H VAL A 114 2.662 -9.984 7.689 1.00 0.88 H new ATOM 0 HA VAL A 114 0.067 -10.544 6.397 1.00 0.85 H new ATOM 0 HB VAL A 114 0.975 -11.641 9.047 1.00 1.06 H new ATOM 0 HG11 VAL A 114 -1.186 -12.913 8.930 1.00 1.71 H new ATOM 0 HG12 VAL A 114 -1.457 -11.155 8.946 1.00 1.71 H new ATOM 0 HG13 VAL A 114 -1.587 -12.061 7.420 1.00 1.71 H new ATOM 0 HG21 VAL A 114 0.831 -13.876 7.947 1.00 1.55 H new ATOM 0 HG22 VAL A 114 0.505 -13.075 6.392 1.00 1.55 H new ATOM 0 HG23 VAL A 114 2.075 -12.847 7.199 1.00 1.55 H new ATOM 1803 N LEU A 115 -0.956 -8.692 7.746 1.00 0.74 N ATOM 1804 CA LEU A 115 -1.576 -7.472 8.265 1.00 0.79 C ATOM 1805 C LEU A 115 -3.001 -7.779 8.780 1.00 0.82 C ATOM 1806 O LEU A 115 -3.708 -8.592 8.165 1.00 0.94 O ATOM 1807 CB LEU A 115 -1.681 -6.452 7.111 1.00 0.97 C ATOM 1808 CG LEU A 115 -0.381 -6.145 6.341 1.00 1.03 C ATOM 1809 CD1 LEU A 115 -0.655 -5.036 5.314 1.00 1.66 C ATOM 1810 CD2 LEU A 115 0.760 -5.715 7.270 1.00 2.17 C ATOM 0 H LEU A 115 -1.524 -9.120 7.015 1.00 0.74 H new ATOM 0 HA LEU A 115 -0.974 -7.077 9.083 1.00 0.79 H new ATOM 0 HB2 LEU A 115 -2.420 -6.818 6.399 1.00 0.97 H new ATOM 0 HB3 LEU A 115 -2.066 -5.516 7.517 1.00 0.97 H new ATOM 0 HG LEU A 115 -0.065 -7.061 5.843 1.00 1.03 H new ATOM 0 HD11 LEU A 115 0.260 -4.814 4.766 1.00 1.66 H new ATOM 0 HD12 LEU A 115 -1.424 -5.368 4.617 1.00 1.66 H new ATOM 0 HD13 LEU A 115 -0.996 -4.138 5.830 1.00 1.66 H new ATOM 0 HD21 LEU A 115 1.653 -5.510 6.679 1.00 2.17 H new ATOM 0 HD22 LEU A 115 0.469 -4.815 7.811 1.00 2.17 H new ATOM 0 HD23 LEU A 115 0.971 -6.514 7.981 1.00 2.17 H new ATOM 1822 N PRO A 116 -3.475 -7.114 9.848 1.00 0.78 N ATOM 1823 CA PRO A 116 -4.885 -7.122 10.217 1.00 0.82 C ATOM 1824 C PRO A 116 -5.703 -6.288 9.226 1.00 0.82 C ATOM 1825 O PRO A 116 -5.190 -5.349 8.612 1.00 0.82 O ATOM 1826 CB PRO A 116 -4.939 -6.517 11.624 1.00 0.86 C ATOM 1827 CG PRO A 116 -3.763 -5.539 11.617 1.00 0.77 C ATOM 1828 CD PRO A 116 -2.726 -6.253 10.751 1.00 0.70 C ATOM 0 HA PRO A 116 -5.308 -8.126 10.198 1.00 0.82 H new ATOM 0 HB2 PRO A 116 -5.886 -6.010 11.810 1.00 0.86 H new ATOM 0 HB3 PRO A 116 -4.828 -7.278 12.396 1.00 0.86 H new ATOM 0 HG2 PRO A 116 -4.044 -4.573 11.196 1.00 0.77 H new ATOM 0 HG3 PRO A 116 -3.388 -5.352 12.623 1.00 0.77 H new ATOM 0 HD2 PRO A 116 -2.123 -5.535 10.194 1.00 0.70 H new ATOM 0 HD3 PRO A 116 -2.040 -6.836 11.366 1.00 0.70 H new ATOM 1836 N VAL A 117 -6.991 -6.607 9.107 1.00 0.90 N ATOM 1837 CA VAL A 117 -7.963 -5.754 8.410 1.00 0.93 C ATOM 1838 C VAL A 117 -8.616 -4.837 9.438 1.00 0.95 C ATOM 1839 O VAL A 117 -9.172 -5.341 10.407 1.00 1.00 O ATOM 1840 CB VAL A 117 -9.057 -6.588 7.729 1.00 0.95 C ATOM 1841 CG1 VAL A 117 -10.114 -5.719 7.027 1.00 1.03 C ATOM 1842 CG2 VAL A 117 -8.446 -7.542 6.695 1.00 0.93 C ATOM 0 H VAL A 117 -7.394 -7.463 9.489 1.00 0.90 H new ATOM 0 HA VAL A 117 -7.440 -5.185 7.641 1.00 0.93 H new ATOM 0 HB VAL A 117 -9.547 -7.151 8.524 1.00 0.95 H new ATOM 0 HG11 VAL A 117 -10.863 -6.361 6.563 1.00 1.03 H new ATOM 0 HG12 VAL A 117 -10.596 -5.070 7.758 1.00 1.03 H new ATOM 0 HG13 VAL A 117 -9.634 -5.109 6.262 1.00 1.03 H new ATOM 0 HG21 VAL A 117 -9.238 -8.124 6.224 1.00 0.93 H new ATOM 0 HG22 VAL A 117 -7.918 -6.965 5.935 1.00 0.93 H new ATOM 0 HG23 VAL A 117 -7.747 -8.216 7.190 1.00 0.93 H new ATOM 1852 N GLU A 118 -8.571 -3.521 9.208 1.00 1.01 N ATOM 1853 CA GLU A 118 -9.115 -2.505 10.116 1.00 1.01 C ATOM 1854 C GLU A 118 -9.551 -1.208 9.416 1.00 1.02 C ATOM 1855 O GLU A 118 -9.298 -0.973 8.231 1.00 1.26 O ATOM 1856 CB GLU A 118 -8.125 -2.197 11.268 1.00 1.37 C ATOM 1857 CG GLU A 118 -8.206 -3.167 12.457 1.00 2.34 C ATOM 1858 CD GLU A 118 -9.643 -3.403 12.934 1.00 3.79 C ATOM 1859 OE1 GLU A 118 -10.420 -2.419 12.973 1.00 4.06 O ATOM 1860 OE2 GLU A 118 -9.974 -4.582 13.191 1.00 5.22 O ATOM 0 H GLU A 118 -8.147 -3.124 8.369 1.00 1.01 H new ATOM 0 HA GLU A 118 -10.023 -2.943 10.530 1.00 1.01 H new ATOM 0 HB2 GLU A 118 -7.110 -2.213 10.871 1.00 1.37 H new ATOM 0 HB3 GLU A 118 -8.310 -1.185 11.628 1.00 1.37 H new ATOM 0 HG2 GLU A 118 -7.761 -4.121 12.173 1.00 2.34 H new ATOM 0 HG3 GLU A 118 -7.614 -2.772 13.283 1.00 2.34 H new ATOM 1867 N ALA A 119 -10.275 -0.369 10.165 1.00 1.15 N ATOM 1868 CA ALA A 119 -11.026 0.770 9.637 1.00 1.39 C ATOM 1869 C ALA A 119 -10.376 2.152 9.865 1.00 1.79 C ATOM 1870 O ALA A 119 -10.513 2.733 10.944 1.00 2.23 O ATOM 1871 CB ALA A 119 -12.455 0.688 10.202 1.00 1.59 C ATOM 0 H ALA A 119 -10.355 -0.467 11.177 1.00 1.15 H new ATOM 0 HA ALA A 119 -11.033 0.692 8.550 1.00 1.39 H new ATOM 0 HB1 ALA A 119 -13.043 1.525 9.827 1.00 1.59 H new ATOM 0 HB2 ALA A 119 -12.917 -0.249 9.890 1.00 1.59 H new ATOM 0 HB3 ALA A 119 -12.419 0.729 11.291 1.00 1.59 H new ATOM 1877 N ARG A 120 -9.805 2.679 8.765 1.00 2.23 N ATOM 1878 CA ARG A 120 -9.371 4.045 8.384 1.00 2.72 C ATOM 1879 C ARG A 120 -8.319 4.038 7.276 1.00 3.82 C ATOM 1880 O ARG A 120 -7.381 3.219 7.356 1.00 4.97 O ATOM 1881 CB ARG A 120 -8.970 4.909 9.572 1.00 3.26 C ATOM 1882 CG ARG A 120 -10.217 5.626 10.099 1.00 4.02 C ATOM 1883 CD ARG A 120 -9.930 6.229 11.471 1.00 5.16 C ATOM 1884 NE ARG A 120 -11.126 6.865 12.059 1.00 5.96 N ATOM 1885 CZ ARG A 120 -11.698 7.995 11.690 1.00 6.49 C ATOM 1886 NH1 ARG A 120 -11.226 8.738 10.731 1.00 6.51 N ATOM 1887 NH2 ARG A 120 -12.780 8.405 12.286 1.00 7.63 N ATOM 1888 OXT ARG A 120 -8.544 4.801 6.312 1.00 4.13 O ATOM 0 H ARG A 120 -9.603 2.047 7.990 1.00 2.23 H new ATOM 0 HA ARG A 120 -10.255 4.526 7.966 1.00 2.72 H new ATOM 0 HB2 ARG A 120 -8.528 4.293 10.356 1.00 3.26 H new ATOM 0 HB3 ARG A 120 -8.214 5.635 9.273 1.00 3.26 H new ATOM 0 HG2 ARG A 120 -10.517 6.410 9.404 1.00 4.02 H new ATOM 0 HG3 ARG A 120 -11.049 4.925 10.167 1.00 4.02 H new ATOM 0 HD2 ARG A 120 -9.568 5.449 12.141 1.00 5.16 H new ATOM 0 HD3 ARG A 120 -9.133 6.968 11.382 1.00 5.16 H new ATOM 0 HE ARG A 120 -11.560 6.374 12.841 1.00 5.96 H new ATOM 0 HH11 ARG A 120 -10.382 8.453 10.233 1.00 6.51 H new ATOM 0 HH12 ARG A 120 -11.700 9.605 10.477 1.00 6.51 H new ATOM 0 HH21 ARG A 120 -13.187 7.852 13.040 1.00 7.63 H new ATOM 0 HH22 ARG A 120 -13.220 9.279 11.999 1.00 7.63 H new