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 46 HIS : no HE2:sc= -1.34 X(o=-1.3,f=-0.84) USER MOD Set 1.2: A 83 HIS : no HE2:sc= 0.0717 K(o=-1.3,f=-4.3!) USER MOD Single : A 11 SER OG : rot 120:sc= 0.0816 USER MOD Single : A 15 ASN : amide:sc= -0.0445 K(o=-0.045,f=-1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A 24 ASN : amide:sc= 0.167 K(o=0.17,f=-4.4!) USER MOD Single : A 37 THR OG1 : rot 97:sc= 1.01 USER MOD Single : A 48 THR OG1 : rot 152:sc= 0.299 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0.51 (180deg=0.143) USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= -0.145 (180deg=-0.415!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -169:sc= 0 (180deg=-0.162) USER MOD Single : A 72 LYS NZ :NH3+ 134:sc= 0.47 (180deg=-0.741!) USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.706 (180deg=0.7) 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+ 139:sc= 0.334 (180deg=-1.73!) USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= 0.949 (180deg=0.907) USER MOD Single : A 109 LYS NZ :NH3+ 169:sc= 1.76 (180deg=1.54) USER MOD Single : A 112 LYS NZ :NH3+ -158:sc= 1.31 (180deg=-0.267) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 4.362 -2.565 11.116 1.00 1.37 N ATOM 56 CA GLU A 5 4.031 -3.433 9.980 1.00 1.73 C ATOM 57 C GLU A 5 3.081 -2.675 9.031 1.00 1.61 C ATOM 58 O GLU A 5 2.929 -1.455 9.136 1.00 1.57 O ATOM 59 CB GLU A 5 3.378 -4.744 10.463 1.00 2.97 C ATOM 60 CG GLU A 5 4.320 -5.659 11.255 1.00 3.81 C ATOM 61 CD GLU A 5 3.761 -5.901 12.651 1.00 4.41 C ATOM 62 OE1 GLU A 5 2.969 -6.851 12.806 1.00 5.48 O ATOM 63 OE2 GLU A 5 4.085 -5.075 13.530 1.00 4.52 O ATOM 0 HA GLU A 5 4.946 -3.695 9.449 1.00 1.73 H new ATOM 0 HB2 GLU A 5 2.517 -4.500 11.086 1.00 2.97 H new ATOM 0 HB3 GLU A 5 3.001 -5.290 9.598 1.00 2.97 H new ATOM 0 HG2 GLU A 5 4.441 -6.608 10.733 1.00 3.81 H new ATOM 0 HG3 GLU A 5 5.308 -5.205 11.324 1.00 3.81 H new ATOM 70 N GLY A 6 2.488 -3.365 8.055 1.00 1.93 N ATOM 71 CA GLY A 6 1.292 -2.865 7.370 1.00 1.71 C ATOM 72 C GLY A 6 -0.015 -3.200 8.085 1.00 1.37 C ATOM 73 O GLY A 6 -0.037 -4.005 9.006 1.00 1.44 O ATOM 0 H GLY A 6 2.815 -4.271 7.720 1.00 1.93 H new ATOM 0 HA2 GLY A 6 1.371 -1.783 7.265 1.00 1.71 H new ATOM 0 HA3 GLY A 6 1.261 -3.281 6.363 1.00 1.71 H new ATOM 77 N TRP A 7 -1.108 -2.619 7.585 1.00 1.14 N ATOM 78 CA TRP A 7 -2.508 -2.941 7.879 1.00 0.98 C ATOM 79 C TRP A 7 -3.426 -2.511 6.709 1.00 0.66 C ATOM 80 O TRP A 7 -3.031 -1.709 5.859 1.00 0.67 O ATOM 81 CB TRP A 7 -2.931 -2.320 9.216 1.00 1.31 C ATOM 82 CG TRP A 7 -3.271 -0.869 9.181 1.00 1.27 C ATOM 83 CD1 TRP A 7 -4.506 -0.370 8.964 1.00 1.30 C ATOM 84 CD2 TRP A 7 -2.411 0.284 9.436 1.00 1.41 C ATOM 85 NE1 TRP A 7 -4.484 0.999 9.108 1.00 1.49 N ATOM 86 CE2 TRP A 7 -3.222 1.456 9.432 1.00 1.60 C ATOM 87 CE3 TRP A 7 -1.037 0.451 9.712 1.00 1.55 C ATOM 88 CZ2 TRP A 7 -2.708 2.723 9.743 1.00 1.94 C ATOM 89 CZ3 TRP A 7 -0.504 1.722 9.999 1.00 1.83 C ATOM 90 CH2 TRP A 7 -1.338 2.854 10.033 1.00 2.04 C ATOM 0 H TRP A 7 -1.033 -1.854 6.914 1.00 1.14 H new ATOM 0 HA TRP A 7 -2.611 -4.021 7.980 1.00 0.98 H new ATOM 0 HB2 TRP A 7 -3.796 -2.867 9.591 1.00 1.31 H new ATOM 0 HB3 TRP A 7 -2.124 -2.467 9.934 1.00 1.31 H new ATOM 0 HD1 TRP A 7 -5.379 -0.956 8.715 1.00 1.30 H new ATOM 0 HE1 TRP A 7 -5.299 1.601 8.990 1.00 1.49 H new ATOM 0 HE3 TRP A 7 -0.384 -0.410 9.703 1.00 1.55 H new ATOM 0 HZ2 TRP A 7 -3.356 3.587 9.760 1.00 1.94 H new ATOM 0 HZ3 TRP A 7 0.553 1.829 10.194 1.00 1.83 H new ATOM 0 HH2 TRP A 7 -0.927 3.822 10.281 1.00 2.04 H new ATOM 101 N VAL A 8 -4.653 -3.033 6.635 1.00 0.63 N ATOM 102 CA VAL A 8 -5.589 -2.761 5.524 1.00 0.67 C ATOM 103 C VAL A 8 -6.784 -1.951 6.025 1.00 0.76 C ATOM 104 O VAL A 8 -7.297 -2.213 7.115 1.00 0.81 O ATOM 105 CB VAL A 8 -6.073 -4.056 4.830 1.00 0.72 C ATOM 106 CG1 VAL A 8 -6.842 -3.735 3.535 1.00 0.97 C ATOM 107 CG2 VAL A 8 -4.913 -4.997 4.477 1.00 0.77 C ATOM 0 H VAL A 8 -5.034 -3.660 7.344 1.00 0.63 H new ATOM 0 HA VAL A 8 -5.044 -2.181 4.779 1.00 0.67 H new ATOM 0 HB VAL A 8 -6.728 -4.553 5.546 1.00 0.72 H new ATOM 0 HG11 VAL A 8 -7.171 -4.663 3.067 1.00 0.97 H new ATOM 0 HG12 VAL A 8 -7.710 -3.120 3.771 1.00 0.97 H new ATOM 0 HG13 VAL A 8 -6.190 -3.194 2.849 1.00 0.97 H new ATOM 0 HG21 VAL A 8 -5.305 -5.891 3.992 1.00 0.77 H new ATOM 0 HG22 VAL A 8 -4.225 -4.489 3.801 1.00 0.77 H new ATOM 0 HG23 VAL A 8 -4.384 -5.280 5.387 1.00 0.77 H new ATOM 117 N ARG A 9 -7.238 -0.977 5.228 1.00 0.84 N ATOM 118 CA ARG A 9 -8.423 -0.181 5.552 1.00 0.92 C ATOM 119 C ARG A 9 -9.711 -0.933 5.175 1.00 0.87 C ATOM 120 O ARG A 9 -9.900 -1.292 4.009 1.00 1.75 O ATOM 121 CB ARG A 9 -8.347 1.168 4.823 1.00 1.17 C ATOM 122 CG ARG A 9 -9.199 2.231 5.534 1.00 1.63 C ATOM 123 CD ARG A 9 -9.971 3.123 4.560 1.00 1.73 C ATOM 124 NE ARG A 9 -11.130 2.415 3.985 1.00 2.36 N ATOM 125 CZ ARG A 9 -12.370 2.880 3.870 1.00 3.25 C ATOM 126 NH1 ARG A 9 -12.755 4.031 4.372 1.00 3.68 N ATOM 127 NH2 ARG A 9 -13.265 2.155 3.236 1.00 4.78 N ATOM 0 H ARG A 9 -6.796 -0.721 4.345 1.00 0.84 H new ATOM 0 HA ARG A 9 -8.448 -0.005 6.627 1.00 0.92 H new ATOM 0 HB2 ARG A 9 -7.310 1.501 4.775 1.00 1.17 H new ATOM 0 HB3 ARG A 9 -8.691 1.049 3.796 1.00 1.17 H new ATOM 0 HG2 ARG A 9 -9.904 1.737 6.203 1.00 1.63 H new ATOM 0 HG3 ARG A 9 -8.553 2.852 6.154 1.00 1.63 H new ATOM 0 HD2 ARG A 9 -10.311 4.020 5.077 1.00 1.73 H new ATOM 0 HD3 ARG A 9 -9.308 3.449 3.759 1.00 1.73 H new ATOM 0 HE ARG A 9 -10.963 1.470 3.640 1.00 2.36 H new ATOM 0 HH11 ARG A 9 -12.089 4.615 4.879 1.00 3.68 H new ATOM 0 HH12 ARG A 9 -13.720 4.341 4.255 1.00 3.68 H new ATOM 0 HH21 ARG A 9 -13.003 1.251 2.842 1.00 4.78 H new ATOM 0 HH22 ARG A 9 -14.221 2.496 3.138 1.00 4.78 H new ATOM 141 N PHE A 10 -10.602 -1.101 6.157 1.00 0.90 N ATOM 142 CA PHE A 10 -11.916 -1.754 6.084 1.00 0.84 C ATOM 143 C PHE A 10 -12.682 -1.534 4.763 1.00 0.89 C ATOM 144 O PHE A 10 -12.685 -0.441 4.194 1.00 1.12 O ATOM 145 CB PHE A 10 -12.726 -1.252 7.300 1.00 0.99 C ATOM 146 CG PHE A 10 -14.227 -1.449 7.238 1.00 0.97 C ATOM 147 CD1 PHE A 10 -15.015 -0.540 6.510 1.00 1.68 C ATOM 148 CD2 PHE A 10 -14.836 -2.533 7.895 1.00 1.60 C ATOM 149 CE1 PHE A 10 -16.392 -0.762 6.365 1.00 1.75 C ATOM 150 CE2 PHE A 10 -16.222 -2.743 7.771 1.00 1.75 C ATOM 151 CZ PHE A 10 -16.997 -1.865 6.993 1.00 1.31 C ATOM 0 H PHE A 10 -10.410 -0.758 7.098 1.00 0.90 H new ATOM 0 HA PHE A 10 -11.766 -2.833 6.107 1.00 0.84 H new ATOM 0 HB2 PHE A 10 -12.352 -1.756 8.191 1.00 0.99 H new ATOM 0 HB3 PHE A 10 -12.526 -0.188 7.428 1.00 0.99 H new ATOM 0 HD1 PHE A 10 -14.559 0.330 6.062 1.00 1.68 H new ATOM 0 HD2 PHE A 10 -14.240 -3.205 8.495 1.00 1.60 H new ATOM 0 HE1 PHE A 10 -16.988 -0.085 5.771 1.00 1.75 H new ATOM 0 HE2 PHE A 10 -16.690 -3.577 8.273 1.00 1.75 H new ATOM 0 HZ PHE A 10 -18.057 -2.038 6.878 1.00 1.31 H new ATOM 161 N SER A 11 -13.430 -2.551 4.323 1.00 1.12 N ATOM 162 CA SER A 11 -14.438 -2.407 3.262 1.00 1.43 C ATOM 163 C SER A 11 -15.436 -3.583 3.215 1.00 1.66 C ATOM 164 O SER A 11 -15.018 -4.736 3.365 1.00 1.90 O ATOM 165 CB SER A 11 -13.755 -2.293 1.893 1.00 1.89 C ATOM 166 OG SER A 11 -14.703 -1.975 0.893 1.00 2.78 O ATOM 0 H SER A 11 -13.355 -3.499 4.691 1.00 1.12 H new ATOM 0 HA SER A 11 -14.996 -1.500 3.494 1.00 1.43 H new ATOM 0 HB2 SER A 11 -12.983 -1.525 1.928 1.00 1.89 H new ATOM 0 HB3 SER A 11 -13.260 -3.232 1.648 1.00 1.89 H new ATOM 0 HG SER A 11 -14.462 -1.123 0.473 1.00 2.78 H new ATOM 172 N PRO A 12 -16.741 -3.330 2.977 1.00 1.76 N ATOM 173 CA PRO A 12 -17.733 -4.355 2.651 1.00 2.02 C ATOM 174 C PRO A 12 -17.885 -4.569 1.132 1.00 2.06 C ATOM 175 O PRO A 12 -18.603 -5.477 0.719 1.00 2.81 O ATOM 176 CB PRO A 12 -19.030 -3.789 3.237 1.00 2.18 C ATOM 177 CG PRO A 12 -18.901 -2.293 2.943 1.00 2.05 C ATOM 178 CD PRO A 12 -17.401 -2.033 3.086 1.00 1.76 C ATOM 0 HA PRO A 12 -17.453 -5.330 3.049 1.00 2.02 H new ATOM 0 HB2 PRO A 12 -19.912 -4.221 2.764 1.00 2.18 H new ATOM 0 HB3 PRO A 12 -19.113 -3.987 4.306 1.00 2.18 H new ATOM 0 HG2 PRO A 12 -19.258 -2.048 1.943 1.00 2.05 H new ATOM 0 HG3 PRO A 12 -19.482 -1.694 3.645 1.00 2.05 H new ATOM 0 HD2 PRO A 12 -17.050 -1.353 2.310 1.00 1.76 H new ATOM 0 HD3 PRO A 12 -17.179 -1.564 4.045 1.00 1.76 H new ATOM 186 N GLY A 13 -17.266 -3.707 0.309 1.00 1.42 N ATOM 187 CA GLY A 13 -17.470 -3.619 -1.139 1.00 1.41 C ATOM 188 C GLY A 13 -16.318 -4.211 -1.964 1.00 1.15 C ATOM 189 O GLY A 13 -15.346 -4.701 -1.394 1.00 1.18 O ATOM 0 H GLY A 13 -16.585 -3.029 0.651 1.00 1.42 H new ATOM 0 HA2 GLY A 13 -18.394 -4.136 -1.399 1.00 1.41 H new ATOM 0 HA3 GLY A 13 -17.602 -2.573 -1.415 1.00 1.41 H new ATOM 193 N PRO A 14 -16.416 -4.161 -3.309 1.00 1.09 N ATOM 194 CA PRO A 14 -15.499 -4.838 -4.227 1.00 1.07 C ATOM 195 C PRO A 14 -14.085 -4.251 -4.263 1.00 0.88 C ATOM 196 O PRO A 14 -13.165 -4.940 -4.703 1.00 0.97 O ATOM 197 CB PRO A 14 -16.160 -4.729 -5.605 1.00 1.23 C ATOM 198 CG PRO A 14 -17.035 -3.484 -5.502 1.00 1.27 C ATOM 199 CD PRO A 14 -17.495 -3.519 -4.048 1.00 1.26 C ATOM 0 HA PRO A 14 -15.348 -5.865 -3.896 1.00 1.07 H new ATOM 0 HB2 PRO A 14 -15.417 -4.629 -6.396 1.00 1.23 H new ATOM 0 HB3 PRO A 14 -16.753 -5.615 -5.834 1.00 1.23 H new ATOM 0 HG2 PRO A 14 -16.476 -2.576 -5.728 1.00 1.27 H new ATOM 0 HG3 PRO A 14 -17.876 -3.521 -6.194 1.00 1.27 H new ATOM 0 HD2 PRO A 14 -17.683 -2.513 -3.672 1.00 1.26 H new ATOM 0 HD3 PRO A 14 -18.426 -4.076 -3.945 1.00 1.26 H new ATOM 207 N ASN A 15 -13.900 -2.997 -3.829 1.00 0.76 N ATOM 208 CA ASN A 15 -12.615 -2.354 -3.662 1.00 0.69 C ATOM 209 C ASN A 15 -12.256 -2.045 -2.187 1.00 0.76 C ATOM 210 O ASN A 15 -13.105 -1.997 -1.293 1.00 1.14 O ATOM 211 CB ASN A 15 -12.602 -1.104 -4.555 1.00 0.85 C ATOM 212 CG ASN A 15 -13.576 0.016 -4.184 1.00 1.44 C ATOM 213 OD1 ASN A 15 -14.256 -0.005 -3.173 1.00 2.38 O ATOM 214 ND2 ASN A 15 -13.667 1.045 -5.007 1.00 1.70 N ATOM 0 H ASN A 15 -14.680 -2.389 -3.578 1.00 0.76 H new ATOM 0 HA ASN A 15 -11.829 -3.043 -3.972 1.00 0.69 H new ATOM 0 HB2 ASN A 15 -11.593 -0.693 -4.550 1.00 0.85 H new ATOM 0 HB3 ASN A 15 -12.814 -1.415 -5.578 1.00 0.85 H new ATOM 0 HD21 ASN A 15 -14.303 1.814 -4.794 1.00 1.70 H new ATOM 0 HD22 ASN A 15 -13.102 1.071 -5.856 1.00 1.70 H new ATOM 221 N ALA A 16 -10.963 -1.789 -1.958 1.00 0.56 N ATOM 222 CA ALA A 16 -10.333 -1.394 -0.693 1.00 0.55 C ATOM 223 C ALA A 16 -8.995 -0.654 -0.939 1.00 0.51 C ATOM 224 O ALA A 16 -8.615 -0.428 -2.090 1.00 0.50 O ATOM 225 CB ALA A 16 -10.158 -2.644 0.179 1.00 0.58 C ATOM 0 H ALA A 16 -10.277 -1.858 -2.710 1.00 0.56 H new ATOM 0 HA ALA A 16 -10.973 -0.687 -0.165 1.00 0.55 H new ATOM 0 HB1 ALA A 16 -9.690 -2.366 1.124 1.00 0.58 H new ATOM 0 HB2 ALA A 16 -11.133 -3.091 0.374 1.00 0.58 H new ATOM 0 HB3 ALA A 16 -9.526 -3.364 -0.340 1.00 0.58 H new ATOM 231 N ALA A 17 -8.276 -0.276 0.126 1.00 0.54 N ATOM 232 CA ALA A 17 -6.942 0.337 0.063 1.00 0.50 C ATOM 233 C ALA A 17 -6.067 -0.158 1.236 1.00 0.54 C ATOM 234 O ALA A 17 -6.551 -0.203 2.372 1.00 0.81 O ATOM 235 CB ALA A 17 -7.103 1.861 0.114 1.00 0.54 C ATOM 0 H ALA A 17 -8.615 -0.391 1.081 1.00 0.54 H new ATOM 0 HA ALA A 17 -6.446 0.052 -0.865 1.00 0.50 H new ATOM 0 HB1 ALA A 17 -6.121 2.332 0.068 1.00 0.54 H new ATOM 0 HB2 ALA A 17 -7.704 2.192 -0.733 1.00 0.54 H new ATOM 0 HB3 ALA A 17 -7.598 2.144 1.043 1.00 0.54 H new ATOM 241 N ALA A 18 -4.797 -0.509 0.996 1.00 0.49 N ATOM 242 CA ALA A 18 -3.872 -1.042 2.004 1.00 0.49 C ATOM 243 C ALA A 18 -2.614 -0.174 2.172 1.00 0.44 C ATOM 244 O ALA A 18 -2.057 0.346 1.199 1.00 0.48 O ATOM 245 CB ALA A 18 -3.491 -2.480 1.618 1.00 0.55 C ATOM 0 H ALA A 18 -4.374 -0.428 0.072 1.00 0.49 H new ATOM 0 HA ALA A 18 -4.380 -1.033 2.968 1.00 0.49 H new ATOM 0 HB1 ALA A 18 -2.804 -2.886 2.360 1.00 0.55 H new ATOM 0 HB2 ALA A 18 -4.389 -3.096 1.579 1.00 0.55 H new ATOM 0 HB3 ALA A 18 -3.010 -2.479 0.640 1.00 0.55 H new ATOM 251 N TYR A 19 -2.140 -0.063 3.412 1.00 0.49 N ATOM 252 CA TYR A 19 -0.926 0.658 3.806 1.00 0.58 C ATOM 253 C TYR A 19 0.100 -0.338 4.370 1.00 0.74 C ATOM 254 O TYR A 19 -0.237 -1.118 5.259 1.00 1.22 O ATOM 255 CB TYR A 19 -1.317 1.691 4.877 1.00 0.71 C ATOM 256 CG TYR A 19 -2.368 2.691 4.430 1.00 0.86 C ATOM 257 CD1 TYR A 19 -1.986 3.779 3.628 1.00 2.21 C ATOM 258 CD2 TYR A 19 -3.720 2.546 4.808 1.00 1.91 C ATOM 259 CE1 TYR A 19 -2.933 4.735 3.223 1.00 2.41 C ATOM 260 CE2 TYR A 19 -4.680 3.489 4.383 1.00 2.15 C ATOM 261 CZ TYR A 19 -4.287 4.588 3.583 1.00 1.62 C ATOM 262 OH TYR A 19 -5.191 5.511 3.157 1.00 2.06 O ATOM 0 H TYR A 19 -2.612 -0.492 4.208 1.00 0.49 H new ATOM 0 HA TYR A 19 -0.479 1.163 2.950 1.00 0.58 H new ATOM 0 HB2 TYR A 19 -1.686 1.163 5.756 1.00 0.71 H new ATOM 0 HB3 TYR A 19 -0.423 2.234 5.184 1.00 0.71 H new ATOM 0 HD1 TYR A 19 -0.956 3.882 3.320 1.00 2.21 H new ATOM 0 HD2 TYR A 19 -4.021 1.711 5.424 1.00 1.91 H new ATOM 0 HE1 TYR A 19 -2.622 5.585 2.634 1.00 2.41 H new ATOM 0 HE2 TYR A 19 -5.715 3.372 4.668 1.00 2.15 H new ATOM 0 HH TYR A 19 -6.083 5.272 3.486 1.00 2.06 H new ATOM 272 N LEU A 20 1.354 -0.337 3.893 1.00 1.06 N ATOM 273 CA LEU A 20 2.400 -1.215 4.445 1.00 1.11 C ATOM 274 C LEU A 20 3.647 -0.480 4.937 1.00 0.95 C ATOM 275 O LEU A 20 3.975 0.605 4.447 1.00 0.90 O ATOM 276 CB LEU A 20 2.662 -2.434 3.531 1.00 1.31 C ATOM 277 CG LEU A 20 3.370 -2.183 2.184 1.00 1.42 C ATOM 278 CD1 LEU A 20 4.896 -2.094 2.303 1.00 2.23 C ATOM 279 CD2 LEU A 20 3.059 -3.331 1.213 1.00 1.68 C ATOM 0 H LEU A 20 1.669 0.260 3.128 1.00 1.06 H new ATOM 0 HA LEU A 20 2.004 -1.630 5.372 1.00 1.11 H new ATOM 0 HB2 LEU A 20 3.258 -3.153 4.094 1.00 1.31 H new ATOM 0 HB3 LEU A 20 1.703 -2.909 3.322 1.00 1.31 H new ATOM 0 HG LEU A 20 2.995 -1.224 1.826 1.00 1.42 H new ATOM 0 HD11 LEU A 20 5.328 -1.917 1.318 1.00 2.23 H new ATOM 0 HD12 LEU A 20 5.162 -1.273 2.969 1.00 2.23 H new ATOM 0 HD13 LEU A 20 5.285 -3.029 2.706 1.00 2.23 H new ATOM 0 HD21 LEU A 20 3.561 -3.150 0.263 1.00 1.68 H new ATOM 0 HD22 LEU A 20 3.412 -4.271 1.636 1.00 1.68 H new ATOM 0 HD23 LEU A 20 1.983 -3.388 1.050 1.00 1.68 H new ATOM 291 N THR A 21 4.334 -1.097 5.906 1.00 1.02 N ATOM 292 CA THR A 21 5.724 -0.781 6.236 1.00 1.02 C ATOM 293 C THR A 21 6.615 -1.618 5.331 1.00 1.18 C ATOM 294 O THR A 21 6.403 -2.821 5.181 1.00 1.39 O ATOM 295 CB THR A 21 6.028 -0.964 7.729 1.00 1.18 C ATOM 296 OG1 THR A 21 5.167 -0.112 8.449 1.00 1.64 O ATOM 297 CG2 THR A 21 7.434 -0.469 8.050 1.00 1.70 C ATOM 0 H THR A 21 3.935 -1.835 6.486 1.00 1.02 H new ATOM 0 HA THR A 21 5.922 0.275 6.054 1.00 1.02 H new ATOM 0 HB THR A 21 5.914 -2.018 7.982 1.00 1.18 H new ATOM 0 HG1 THR A 21 4.268 -0.501 8.475 1.00 1.64 H new ATOM 0 HG21 THR A 21 7.634 -0.606 9.113 1.00 1.70 H new ATOM 0 HG22 THR A 21 8.161 -1.036 7.468 1.00 1.70 H new ATOM 0 HG23 THR A 21 7.513 0.589 7.799 1.00 1.70 H new ATOM 305 N LEU A 22 7.561 -0.948 4.678 1.00 1.31 N ATOM 306 CA LEU A 22 8.491 -1.537 3.704 1.00 1.68 C ATOM 307 C LEU A 22 9.852 -1.728 4.373 1.00 1.36 C ATOM 308 O LEU A 22 10.484 -0.743 4.762 1.00 1.36 O ATOM 309 CB LEU A 22 8.603 -0.607 2.474 1.00 2.23 C ATOM 310 CG LEU A 22 9.138 -1.191 1.149 1.00 2.82 C ATOM 311 CD1 LEU A 22 10.429 -2.012 1.275 1.00 3.07 C ATOM 312 CD2 LEU A 22 8.061 -2.017 0.451 1.00 3.06 C ATOM 0 H LEU A 22 7.711 0.052 4.813 1.00 1.31 H new ATOM 0 HA LEU A 22 8.126 -2.507 3.367 1.00 1.68 H new ATOM 0 HB2 LEU A 22 7.612 -0.197 2.278 1.00 2.23 H new ATOM 0 HB3 LEU A 22 9.245 0.230 2.750 1.00 2.23 H new ATOM 0 HG LEU A 22 9.401 -0.321 0.547 1.00 2.82 H new ATOM 0 HD11 LEU A 22 10.724 -2.379 0.292 1.00 3.07 H new ATOM 0 HD12 LEU A 22 11.222 -1.384 1.681 1.00 3.07 H new ATOM 0 HD13 LEU A 22 10.259 -2.857 1.942 1.00 3.07 H new ATOM 0 HD21 LEU A 22 8.458 -2.420 -0.481 1.00 3.06 H new ATOM 0 HD22 LEU A 22 7.754 -2.838 1.100 1.00 3.06 H new ATOM 0 HD23 LEU A 22 7.200 -1.384 0.235 1.00 3.06 H new ATOM 324 N GLU A 23 10.298 -2.975 4.470 1.00 1.46 N ATOM 325 CA GLU A 23 11.622 -3.318 4.992 1.00 1.50 C ATOM 326 C GLU A 23 12.609 -3.561 3.845 1.00 1.37 C ATOM 327 O GLU A 23 12.313 -4.323 2.925 1.00 1.69 O ATOM 328 CB GLU A 23 11.605 -4.578 5.876 1.00 2.31 C ATOM 329 CG GLU A 23 10.514 -4.692 6.951 1.00 2.73 C ATOM 330 CD GLU A 23 10.668 -3.667 8.067 1.00 2.60 C ATOM 331 OE1 GLU A 23 11.616 -3.774 8.868 1.00 2.70 O ATOM 332 OE2 GLU A 23 9.828 -2.746 8.128 1.00 3.77 O ATOM 0 H GLU A 23 9.748 -3.786 4.187 1.00 1.46 H new ATOM 0 HA GLU A 23 11.933 -2.468 5.599 1.00 1.50 H new ATOM 0 HB2 GLU A 23 11.519 -5.444 5.220 1.00 2.31 H new ATOM 0 HB3 GLU A 23 12.572 -4.650 6.373 1.00 2.31 H new ATOM 0 HG2 GLU A 23 9.537 -4.568 6.484 1.00 2.73 H new ATOM 0 HG3 GLU A 23 10.537 -5.694 7.380 1.00 2.73 H new ATOM 339 N ASN A 24 13.810 -2.990 3.944 1.00 1.09 N ATOM 340 CA ASN A 24 14.966 -3.368 3.136 1.00 0.99 C ATOM 341 C ASN A 24 16.144 -3.815 4.025 1.00 0.97 C ATOM 342 O ASN A 24 16.907 -2.977 4.510 1.00 0.97 O ATOM 343 CB ASN A 24 15.379 -2.202 2.228 1.00 0.96 C ATOM 344 CG ASN A 24 16.434 -2.656 1.227 1.00 0.94 C ATOM 345 OD1 ASN A 24 16.897 -3.792 1.234 1.00 1.45 O ATOM 346 ND2 ASN A 24 16.823 -1.788 0.322 1.00 0.92 N ATOM 0 H ASN A 24 14.009 -2.236 4.602 1.00 1.09 H new ATOM 0 HA ASN A 24 14.685 -4.215 2.510 1.00 0.99 H new ATOM 0 HB2 ASN A 24 14.507 -1.819 1.698 1.00 0.96 H new ATOM 0 HB3 ASN A 24 15.770 -1.383 2.832 1.00 0.96 H new ATOM 0 HD21 ASN A 24 17.513 -2.057 -0.379 1.00 0.92 H new ATOM 0 HD22 ASN A 24 16.435 -0.845 0.320 1.00 0.92 H new ATOM 353 N PRO A 25 16.318 -5.130 4.235 1.00 1.07 N ATOM 354 CA PRO A 25 17.417 -5.678 5.026 1.00 1.14 C ATOM 355 C PRO A 25 18.722 -5.892 4.240 1.00 1.20 C ATOM 356 O PRO A 25 19.707 -6.309 4.847 1.00 1.37 O ATOM 357 CB PRO A 25 16.867 -7.011 5.546 1.00 1.19 C ATOM 358 CG PRO A 25 15.973 -7.473 4.393 1.00 1.21 C ATOM 359 CD PRO A 25 15.351 -6.172 3.909 1.00 1.16 C ATOM 0 HA PRO A 25 17.707 -4.980 5.812 1.00 1.14 H new ATOM 0 HB2 PRO A 25 17.664 -7.726 5.753 1.00 1.19 H new ATOM 0 HB3 PRO A 25 16.304 -6.885 6.471 1.00 1.19 H new ATOM 0 HG2 PRO A 25 16.547 -7.964 3.607 1.00 1.21 H new ATOM 0 HG3 PRO A 25 15.217 -8.184 4.727 1.00 1.21 H new ATOM 0 HD2 PRO A 25 15.157 -6.205 2.837 1.00 1.16 H new ATOM 0 HD3 PRO A 25 14.396 -5.988 4.400 1.00 1.16 H new ATOM 367 N GLY A 26 18.759 -5.642 2.923 1.00 1.13 N ATOM 368 CA GLY A 26 19.925 -5.876 2.082 1.00 1.24 C ATOM 369 C GLY A 26 20.771 -4.621 1.920 1.00 1.18 C ATOM 370 O GLY A 26 20.308 -3.499 2.090 1.00 1.60 O ATOM 0 H GLY A 26 17.962 -5.265 2.411 1.00 1.13 H new ATOM 0 HA2 GLY A 26 20.533 -6.669 2.517 1.00 1.24 H new ATOM 0 HA3 GLY A 26 19.601 -6.224 1.101 1.00 1.24 H new ATOM 374 N ASP A 27 22.011 -4.840 1.500 1.00 1.08 N ATOM 375 CA ASP A 27 23.057 -3.853 1.212 1.00 1.29 C ATOM 376 C ASP A 27 22.865 -3.159 -0.153 1.00 1.24 C ATOM 377 O ASP A 27 23.678 -2.347 -0.593 1.00 1.45 O ATOM 378 CB ASP A 27 24.385 -4.620 1.260 1.00 1.72 C ATOM 379 CG ASP A 27 24.852 -4.865 2.695 1.00 2.12 C ATOM 380 OD1 ASP A 27 24.310 -5.777 3.360 1.00 2.62 O ATOM 381 OD2 ASP A 27 25.704 -4.100 3.203 1.00 3.02 O ATOM 0 H ASP A 27 22.343 -5.790 1.337 1.00 1.08 H new ATOM 0 HA ASP A 27 23.026 -3.046 1.945 1.00 1.29 H new ATOM 0 HB2 ASP A 27 24.271 -5.575 0.748 1.00 1.72 H new ATOM 0 HB3 ASP A 27 25.148 -4.058 0.721 1.00 1.72 H new ATOM 386 N LEU A 28 21.761 -3.493 -0.819 1.00 1.02 N ATOM 387 CA LEU A 28 21.316 -3.009 -2.117 1.00 1.02 C ATOM 388 C LEU A 28 19.966 -2.282 -1.987 1.00 0.85 C ATOM 389 O LEU A 28 19.201 -2.592 -1.075 1.00 0.81 O ATOM 390 CB LEU A 28 21.286 -4.215 -3.071 1.00 1.18 C ATOM 391 CG LEU A 28 20.273 -5.342 -2.741 1.00 1.77 C ATOM 392 CD1 LEU A 28 18.878 -5.105 -3.348 1.00 2.25 C ATOM 393 CD2 LEU A 28 20.808 -6.676 -3.286 1.00 2.29 C ATOM 0 H LEU A 28 21.102 -4.166 -0.428 1.00 1.02 H new ATOM 0 HA LEU A 28 21.998 -2.265 -2.528 1.00 1.02 H new ATOM 0 HB2 LEU A 28 21.072 -3.849 -4.075 1.00 1.18 H new ATOM 0 HB3 LEU A 28 22.284 -4.652 -3.097 1.00 1.18 H new ATOM 0 HG LEU A 28 20.166 -5.356 -1.656 1.00 1.77 H new ATOM 0 HD11 LEU A 28 18.219 -5.930 -3.079 1.00 2.25 H new ATOM 0 HD12 LEU A 28 18.467 -4.172 -2.962 1.00 2.25 H new ATOM 0 HD13 LEU A 28 18.959 -5.045 -4.433 1.00 2.25 H new ATOM 0 HD21 LEU A 28 20.100 -7.473 -3.057 1.00 2.29 H new ATOM 0 HD22 LEU A 28 20.935 -6.603 -4.366 1.00 2.29 H new ATOM 0 HD23 LEU A 28 21.768 -6.900 -2.822 1.00 2.29 H new ATOM 405 N PRO A 29 19.640 -1.333 -2.883 1.00 0.82 N ATOM 406 CA PRO A 29 18.391 -0.587 -2.824 1.00 0.77 C ATOM 407 C PRO A 29 17.239 -1.428 -3.376 1.00 0.75 C ATOM 408 O PRO A 29 17.398 -2.149 -4.365 1.00 0.86 O ATOM 409 CB PRO A 29 18.635 0.672 -3.655 1.00 0.80 C ATOM 410 CG PRO A 29 19.671 0.230 -4.691 1.00 0.85 C ATOM 411 CD PRO A 29 20.438 -0.916 -4.025 1.00 0.91 C ATOM 0 HA PRO A 29 18.106 -0.330 -1.804 1.00 0.77 H new ATOM 0 HB2 PRO A 29 17.718 1.022 -4.130 1.00 0.80 H new ATOM 0 HB3 PRO A 29 19.008 1.491 -3.040 1.00 0.80 H new ATOM 0 HG2 PRO A 29 19.191 -0.100 -5.612 1.00 0.85 H new ATOM 0 HG3 PRO A 29 20.339 1.050 -4.955 1.00 0.85 H new ATOM 0 HD2 PRO A 29 20.583 -1.743 -4.721 1.00 0.91 H new ATOM 0 HD3 PRO A 29 21.428 -0.589 -3.708 1.00 0.91 H new ATOM 419 N LEU A 30 16.063 -1.312 -2.751 1.00 0.67 N ATOM 420 CA LEU A 30 14.830 -1.939 -3.212 1.00 0.64 C ATOM 421 C LEU A 30 13.894 -0.928 -3.847 1.00 0.58 C ATOM 422 O LEU A 30 13.772 0.223 -3.433 1.00 0.57 O ATOM 423 CB LEU A 30 14.084 -2.660 -2.077 1.00 0.67 C ATOM 424 CG LEU A 30 14.700 -4.012 -1.703 1.00 0.75 C ATOM 425 CD1 LEU A 30 14.031 -4.555 -0.432 1.00 1.54 C ATOM 426 CD2 LEU A 30 14.553 -5.071 -2.804 1.00 1.76 C ATOM 0 H LEU A 30 15.944 -0.769 -1.896 1.00 0.67 H new ATOM 0 HA LEU A 30 15.131 -2.675 -3.958 1.00 0.64 H new ATOM 0 HB2 LEU A 30 14.072 -2.019 -1.196 1.00 0.67 H new ATOM 0 HB3 LEU A 30 13.046 -2.812 -2.374 1.00 0.67 H new ATOM 0 HG LEU A 30 15.764 -3.828 -1.551 1.00 0.75 H new ATOM 0 HD11 LEU A 30 14.473 -5.517 -0.171 1.00 1.54 H new ATOM 0 HD12 LEU A 30 14.181 -3.852 0.387 1.00 1.54 H new ATOM 0 HD13 LEU A 30 12.963 -4.683 -0.609 1.00 1.54 H new ATOM 0 HD21 LEU A 30 15.010 -6.004 -2.475 1.00 1.76 H new ATOM 0 HD22 LEU A 30 13.496 -5.238 -3.010 1.00 1.76 H new ATOM 0 HD23 LEU A 30 15.049 -4.724 -3.711 1.00 1.76 H new ATOM 438 N ARG A 31 13.162 -1.471 -4.812 1.00 0.58 N ATOM 439 CA ARG A 31 12.215 -0.756 -5.669 1.00 0.54 C ATOM 440 C ARG A 31 10.947 -1.568 -5.899 1.00 0.57 C ATOM 441 O ARG A 31 10.960 -2.527 -6.679 1.00 0.70 O ATOM 442 CB ARG A 31 12.886 -0.421 -7.003 1.00 0.55 C ATOM 443 CG ARG A 31 11.966 0.404 -7.923 1.00 0.60 C ATOM 444 CD ARG A 31 12.679 1.495 -8.735 1.00 0.71 C ATOM 445 NE ARG A 31 13.863 1.007 -9.475 1.00 1.26 N ATOM 446 CZ ARG A 31 15.132 1.214 -9.130 1.00 1.16 C ATOM 447 NH1 ARG A 31 15.480 1.800 -8.009 1.00 2.02 N ATOM 448 NH2 ARG A 31 16.095 0.820 -9.934 1.00 2.31 N ATOM 0 H ARG A 31 13.212 -2.466 -5.031 1.00 0.58 H new ATOM 0 HA ARG A 31 11.924 0.167 -5.167 1.00 0.54 H new ATOM 0 HB2 ARG A 31 13.805 0.135 -6.817 1.00 0.55 H new ATOM 0 HB3 ARG A 31 13.169 -1.345 -7.508 1.00 0.55 H new ATOM 0 HG2 ARG A 31 11.464 -0.274 -8.614 1.00 0.60 H new ATOM 0 HG3 ARG A 31 11.191 0.871 -7.315 1.00 0.60 H new ATOM 0 HD2 ARG A 31 11.973 1.929 -9.443 1.00 0.71 H new ATOM 0 HD3 ARG A 31 12.987 2.294 -8.061 1.00 0.71 H new ATOM 0 HE ARG A 31 13.693 0.465 -10.322 1.00 1.26 H new ATOM 0 HH11 ARG A 31 14.764 2.120 -7.357 1.00 2.02 H new ATOM 0 HH12 ARG A 31 16.467 1.936 -7.789 1.00 2.02 H new ATOM 0 HH21 ARG A 31 15.867 0.359 -10.815 1.00 2.31 H new ATOM 0 HH22 ARG A 31 17.070 0.975 -9.677 1.00 2.31 H new ATOM 462 N LEU A 32 9.867 -1.208 -5.211 1.00 0.52 N ATOM 463 CA LEU A 32 8.558 -1.850 -5.331 1.00 0.62 C ATOM 464 C LEU A 32 7.825 -1.285 -6.547 1.00 0.61 C ATOM 465 O LEU A 32 7.457 -0.118 -6.526 1.00 0.56 O ATOM 466 CB LEU A 32 7.794 -1.627 -4.011 1.00 0.72 C ATOM 467 CG LEU A 32 6.454 -2.395 -3.949 1.00 0.95 C ATOM 468 CD1 LEU A 32 6.063 -2.648 -2.486 1.00 1.43 C ATOM 469 CD2 LEU A 32 5.300 -1.649 -4.638 1.00 2.46 C ATOM 0 H LEU A 32 9.877 -0.442 -4.537 1.00 0.52 H new ATOM 0 HA LEU A 32 8.649 -2.924 -5.492 1.00 0.62 H new ATOM 0 HB2 LEU A 32 8.423 -1.938 -3.177 1.00 0.72 H new ATOM 0 HB3 LEU A 32 7.601 -0.562 -3.885 1.00 0.72 H new ATOM 0 HG LEU A 32 6.613 -3.333 -4.482 1.00 0.95 H new ATOM 0 HD11 LEU A 32 5.118 -3.190 -2.450 1.00 1.43 H new ATOM 0 HD12 LEU A 32 6.839 -3.239 -1.999 1.00 1.43 H new ATOM 0 HD13 LEU A 32 5.955 -1.695 -1.968 1.00 1.43 H new ATOM 0 HD21 LEU A 32 4.387 -2.240 -4.560 1.00 2.46 H new ATOM 0 HD22 LEU A 32 5.150 -0.684 -4.154 1.00 2.46 H new ATOM 0 HD23 LEU A 32 5.543 -1.494 -5.689 1.00 2.46 H new ATOM 481 N VAL A 33 7.561 -2.108 -7.562 1.00 0.69 N ATOM 482 CA VAL A 33 6.857 -1.724 -8.807 1.00 0.70 C ATOM 483 C VAL A 33 5.388 -2.207 -8.828 1.00 0.72 C ATOM 484 O VAL A 33 4.570 -1.685 -9.582 1.00 0.75 O ATOM 485 CB VAL A 33 7.602 -2.258 -10.058 1.00 0.81 C ATOM 486 CG1 VAL A 33 9.041 -1.709 -10.141 1.00 0.81 C ATOM 487 CG2 VAL A 33 7.692 -3.796 -10.119 1.00 0.90 C ATOM 0 H VAL A 33 7.835 -3.090 -7.550 1.00 0.69 H new ATOM 0 HA VAL A 33 6.850 -0.634 -8.831 1.00 0.70 H new ATOM 0 HB VAL A 33 7.001 -1.908 -10.897 1.00 0.81 H new ATOM 0 HG11 VAL A 33 9.531 -2.105 -11.030 1.00 0.81 H new ATOM 0 HG12 VAL A 33 9.013 -0.621 -10.197 1.00 0.81 H new ATOM 0 HG13 VAL A 33 9.598 -2.012 -9.254 1.00 0.81 H new ATOM 0 HG21 VAL A 33 8.226 -4.094 -11.021 1.00 0.90 H new ATOM 0 HG22 VAL A 33 8.226 -4.164 -9.243 1.00 0.90 H new ATOM 0 HG23 VAL A 33 6.688 -4.219 -10.136 1.00 0.90 H new ATOM 497 N GLY A 34 5.055 -3.217 -8.008 1.00 0.74 N ATOM 498 CA GLY A 34 3.710 -3.785 -7.835 1.00 0.74 C ATOM 499 C GLY A 34 3.530 -4.492 -6.501 1.00 0.69 C ATOM 500 O GLY A 34 4.437 -4.546 -5.669 1.00 0.71 O ATOM 0 H GLY A 34 5.749 -3.680 -7.421 1.00 0.74 H new ATOM 0 HA2 GLY A 34 2.971 -2.988 -7.920 1.00 0.74 H new ATOM 0 HA3 GLY A 34 3.513 -4.490 -8.643 1.00 0.74 H new ATOM 504 N ALA A 35 2.363 -5.104 -6.333 1.00 0.68 N ATOM 505 CA ALA A 35 2.089 -6.039 -5.251 1.00 0.65 C ATOM 506 C ALA A 35 1.327 -7.271 -5.775 1.00 0.67 C ATOM 507 O ALA A 35 1.000 -7.361 -6.959 1.00 0.69 O ATOM 508 CB ALA A 35 1.342 -5.282 -4.140 1.00 0.58 C ATOM 0 H ALA A 35 1.568 -4.961 -6.956 1.00 0.68 H new ATOM 0 HA ALA A 35 3.015 -6.430 -4.829 1.00 0.65 H new ATOM 0 HB1 ALA A 35 1.126 -5.964 -3.317 1.00 0.58 H new ATOM 0 HB2 ALA A 35 1.962 -4.462 -3.778 1.00 0.58 H new ATOM 0 HB3 ALA A 35 0.408 -4.883 -4.536 1.00 0.58 H new ATOM 514 N ARG A 36 1.006 -8.182 -4.862 1.00 0.71 N ATOM 515 CA ARG A 36 -0.029 -9.216 -4.946 1.00 0.65 C ATOM 516 C ARG A 36 -0.533 -9.474 -3.508 1.00 0.69 C ATOM 517 O ARG A 36 -0.125 -8.778 -2.580 1.00 0.82 O ATOM 518 CB ARG A 36 0.508 -10.419 -5.755 1.00 0.89 C ATOM 519 CG ARG A 36 -0.418 -11.643 -5.791 1.00 1.34 C ATOM 520 CD ARG A 36 -0.106 -12.597 -6.950 1.00 1.55 C ATOM 521 NE ARG A 36 -1.171 -12.545 -7.968 1.00 2.48 N ATOM 522 CZ ARG A 36 -1.297 -13.330 -9.030 1.00 3.54 C ATOM 523 NH1 ARG A 36 -0.333 -14.153 -9.399 1.00 4.11 N ATOM 524 NH2 ARG A 36 -2.411 -13.310 -9.735 1.00 4.65 N ATOM 0 H ARG A 36 1.501 -8.223 -3.971 1.00 0.71 H new ATOM 0 HA ARG A 36 -0.914 -8.925 -5.511 1.00 0.65 H new ATOM 0 HB2 ARG A 36 0.696 -10.094 -6.778 1.00 0.89 H new ATOM 0 HB3 ARG A 36 1.468 -10.721 -5.335 1.00 0.89 H new ATOM 0 HG2 ARG A 36 -0.332 -12.184 -4.849 1.00 1.34 H new ATOM 0 HG3 ARG A 36 -1.452 -11.307 -5.872 1.00 1.34 H new ATOM 0 HD2 ARG A 36 0.849 -12.329 -7.402 1.00 1.55 H new ATOM 0 HD3 ARG A 36 -0.006 -13.615 -6.573 1.00 1.55 H new ATOM 0 HE ARG A 36 -1.887 -11.829 -7.842 1.00 2.48 H new ATOM 0 HH11 ARG A 36 0.534 -14.196 -8.863 1.00 4.11 H new ATOM 0 HH12 ARG A 36 -0.455 -14.746 -10.220 1.00 4.11 H new ATOM 0 HH21 ARG A 36 -3.175 -12.691 -9.464 1.00 4.65 H new ATOM 0 HH22 ARG A 36 -2.509 -13.913 -10.552 1.00 4.65 H new ATOM 538 N THR A 37 -1.506 -10.364 -3.321 1.00 0.71 N ATOM 539 CA THR A 37 -2.205 -10.670 -2.066 1.00 0.76 C ATOM 540 C THR A 37 -3.179 -11.810 -2.340 1.00 0.82 C ATOM 541 O THR A 37 -3.671 -11.900 -3.469 1.00 0.79 O ATOM 542 CB THR A 37 -2.906 -9.432 -1.484 1.00 0.73 C ATOM 543 OG1 THR A 37 -3.799 -9.793 -0.467 1.00 0.78 O ATOM 544 CG2 THR A 37 -3.708 -8.611 -2.492 1.00 0.72 C ATOM 0 H THR A 37 -1.854 -10.932 -4.094 1.00 0.71 H new ATOM 0 HA THR A 37 -1.487 -10.978 -1.306 1.00 0.76 H new ATOM 0 HB THR A 37 -2.082 -8.819 -1.119 1.00 0.73 H new ATOM 0 HG1 THR A 37 -3.364 -9.685 0.404 1.00 0.78 H new ATOM 0 HG21 THR A 37 -4.165 -7.760 -1.987 1.00 0.72 H new ATOM 0 HG22 THR A 37 -3.045 -8.253 -3.279 1.00 0.72 H new ATOM 0 HG23 THR A 37 -4.488 -9.234 -2.930 1.00 0.72 H new ATOM 552 N PRO A 38 -3.533 -12.645 -1.346 1.00 0.91 N ATOM 553 CA PRO A 38 -4.605 -13.622 -1.491 1.00 0.94 C ATOM 554 C PRO A 38 -6.005 -12.997 -1.576 1.00 0.92 C ATOM 555 O PRO A 38 -6.956 -13.705 -1.900 1.00 0.99 O ATOM 556 CB PRO A 38 -4.461 -14.531 -0.275 1.00 1.05 C ATOM 557 CG PRO A 38 -3.803 -13.663 0.794 1.00 1.10 C ATOM 558 CD PRO A 38 -2.923 -12.725 -0.024 1.00 1.04 C ATOM 0 HA PRO A 38 -4.513 -14.161 -2.434 1.00 0.94 H new ATOM 0 HB2 PRO A 38 -5.431 -14.900 0.059 1.00 1.05 H new ATOM 0 HB3 PRO A 38 -3.850 -15.404 -0.505 1.00 1.05 H new ATOM 0 HG2 PRO A 38 -4.541 -13.116 1.381 1.00 1.10 H new ATOM 0 HG3 PRO A 38 -3.217 -14.259 1.494 1.00 1.10 H new ATOM 0 HD2 PRO A 38 -2.868 -11.740 0.440 1.00 1.04 H new ATOM 0 HD3 PRO A 38 -1.903 -13.105 -0.088 1.00 1.04 H new ATOM 566 N VAL A 39 -6.143 -11.697 -1.286 1.00 0.88 N ATOM 567 CA VAL A 39 -7.442 -10.986 -1.229 1.00 0.88 C ATOM 568 C VAL A 39 -7.529 -9.756 -2.147 1.00 0.81 C ATOM 569 O VAL A 39 -8.022 -8.701 -1.763 1.00 0.90 O ATOM 570 CB VAL A 39 -7.900 -10.700 0.220 1.00 0.93 C ATOM 571 CG1 VAL A 39 -8.166 -12.017 0.971 1.00 1.00 C ATOM 572 CG2 VAL A 39 -6.882 -9.870 1.009 1.00 0.97 C ATOM 0 H VAL A 39 -5.347 -11.093 -1.080 1.00 0.88 H new ATOM 0 HA VAL A 39 -8.167 -11.685 -1.646 1.00 0.88 H new ATOM 0 HB VAL A 39 -8.819 -10.118 0.143 1.00 0.93 H new ATOM 0 HG11 VAL A 39 -8.487 -11.797 1.989 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -8.947 -12.578 0.457 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -7.252 -12.611 0.999 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.256 -9.700 2.019 1.00 0.97 H new ATOM 0 HG22 VAL A 39 -5.935 -10.407 1.058 1.00 0.97 H new ATOM 0 HG23 VAL A 39 -6.730 -8.912 0.512 1.00 0.97 H new ATOM 582 N ALA A 40 -7.106 -9.921 -3.403 1.00 0.71 N ATOM 583 CA ALA A 40 -7.375 -9.026 -4.541 1.00 0.66 C ATOM 584 C ALA A 40 -7.043 -9.761 -5.850 1.00 0.77 C ATOM 585 O ALA A 40 -6.191 -10.656 -5.841 1.00 1.07 O ATOM 586 CB ALA A 40 -6.551 -7.735 -4.420 1.00 0.65 C ATOM 0 H ALA A 40 -6.536 -10.723 -3.672 1.00 0.71 H new ATOM 0 HA ALA A 40 -8.429 -8.749 -4.541 1.00 0.66 H new ATOM 0 HB1 ALA A 40 -6.764 -7.087 -5.270 1.00 0.65 H new ATOM 0 HB2 ALA A 40 -6.815 -7.220 -3.496 1.00 0.65 H new ATOM 0 HB3 ALA A 40 -5.489 -7.981 -4.408 1.00 0.65 H new ATOM 592 N GLU A 41 -7.694 -9.403 -6.962 1.00 0.69 N ATOM 593 CA GLU A 41 -7.269 -9.837 -8.306 1.00 0.85 C ATOM 594 C GLU A 41 -6.502 -8.724 -9.054 1.00 0.66 C ATOM 595 O GLU A 41 -5.579 -9.006 -9.819 1.00 0.85 O ATOM 596 CB GLU A 41 -8.471 -10.327 -9.135 1.00 1.19 C ATOM 597 CG GLU A 41 -8.055 -11.367 -10.196 1.00 1.64 C ATOM 598 CD GLU A 41 -7.595 -12.665 -9.531 1.00 3.00 C ATOM 599 OE1 GLU A 41 -8.462 -13.386 -9.005 1.00 3.26 O ATOM 600 OE2 GLU A 41 -6.381 -12.861 -9.297 1.00 4.50 O ATOM 0 H GLU A 41 -8.524 -8.810 -6.962 1.00 0.69 H new ATOM 0 HA GLU A 41 -6.582 -10.673 -8.173 1.00 0.85 H new ATOM 0 HB2 GLU A 41 -9.216 -10.765 -8.470 1.00 1.19 H new ATOM 0 HB3 GLU A 41 -8.943 -9.477 -9.627 1.00 1.19 H new ATOM 0 HG2 GLU A 41 -8.894 -11.571 -10.861 1.00 1.64 H new ATOM 0 HG3 GLU A 41 -7.251 -10.964 -10.812 1.00 1.64 H new ATOM 607 N ARG A 42 -6.842 -7.456 -8.786 1.00 0.55 N ATOM 608 CA ARG A 42 -6.106 -6.259 -9.190 1.00 0.58 C ATOM 609 C ARG A 42 -5.560 -5.576 -7.939 1.00 0.54 C ATOM 610 O ARG A 42 -6.269 -5.393 -6.951 1.00 0.70 O ATOM 611 CB ARG A 42 -7.041 -5.299 -9.947 1.00 0.87 C ATOM 612 CG ARG A 42 -6.765 -5.292 -11.455 1.00 1.26 C ATOM 613 CD ARG A 42 -7.758 -4.356 -12.152 1.00 1.71 C ATOM 614 NE ARG A 42 -7.417 -4.163 -13.574 1.00 2.60 N ATOM 615 CZ ARG A 42 -6.904 -3.056 -14.111 1.00 3.64 C ATOM 616 NH1 ARG A 42 -6.572 -2.010 -13.393 1.00 4.15 N ATOM 617 NH2 ARG A 42 -6.708 -2.984 -15.410 1.00 4.73 N ATOM 0 H ARG A 42 -7.682 -7.230 -8.254 1.00 0.55 H new ATOM 0 HA ARG A 42 -5.283 -6.535 -9.850 1.00 0.58 H new ATOM 0 HB2 ARG A 42 -8.077 -5.588 -9.770 1.00 0.87 H new ATOM 0 HB3 ARG A 42 -6.920 -4.290 -9.552 1.00 0.87 H new ATOM 0 HG2 ARG A 42 -5.743 -4.964 -11.647 1.00 1.26 H new ATOM 0 HG3 ARG A 42 -6.857 -6.301 -11.857 1.00 1.26 H new ATOM 0 HD2 ARG A 42 -8.764 -4.767 -12.071 1.00 1.71 H new ATOM 0 HD3 ARG A 42 -7.766 -3.391 -11.645 1.00 1.71 H new ATOM 0 HE ARG A 42 -7.589 -4.947 -14.203 1.00 2.60 H new ATOM 0 HH11 ARG A 42 -6.703 -2.023 -12.382 1.00 4.15 H new ATOM 0 HH12 ARG A 42 -6.182 -1.183 -13.846 1.00 4.15 H new ATOM 0 HH21 ARG A 42 -6.949 -3.775 -16.007 1.00 4.73 H new ATOM 0 HH22 ARG A 42 -6.315 -2.137 -15.820 1.00 4.73 H new ATOM 631 N VAL A 43 -4.293 -5.193 -7.989 1.00 0.56 N ATOM 632 CA VAL A 43 -3.623 -4.386 -6.965 1.00 0.55 C ATOM 633 C VAL A 43 -2.724 -3.370 -7.651 1.00 0.76 C ATOM 634 O VAL A 43 -1.937 -3.719 -8.532 1.00 1.23 O ATOM 635 CB VAL A 43 -2.850 -5.242 -5.948 1.00 0.64 C ATOM 636 CG1 VAL A 43 -1.621 -5.959 -6.528 1.00 0.92 C ATOM 637 CG2 VAL A 43 -2.436 -4.423 -4.722 1.00 0.66 C ATOM 0 H VAL A 43 -3.679 -5.440 -8.765 1.00 0.56 H new ATOM 0 HA VAL A 43 -4.382 -3.863 -6.383 1.00 0.55 H new ATOM 0 HB VAL A 43 -3.555 -6.019 -5.652 1.00 0.64 H new ATOM 0 HG11 VAL A 43 -1.135 -6.540 -5.744 1.00 0.92 H new ATOM 0 HG12 VAL A 43 -1.934 -6.625 -7.332 1.00 0.92 H new ATOM 0 HG13 VAL A 43 -0.921 -5.221 -6.920 1.00 0.92 H new ATOM 0 HG21 VAL A 43 -1.892 -5.061 -4.025 1.00 0.66 H new ATOM 0 HG22 VAL A 43 -1.796 -3.598 -5.035 1.00 0.66 H new ATOM 0 HG23 VAL A 43 -3.325 -4.026 -4.232 1.00 0.66 H new ATOM 647 N GLU A 44 -2.902 -2.108 -7.282 1.00 0.52 N ATOM 648 CA GLU A 44 -2.413 -0.950 -8.035 1.00 0.47 C ATOM 649 C GLU A 44 -2.042 0.155 -7.053 1.00 0.57 C ATOM 650 O GLU A 44 -2.890 0.598 -6.278 1.00 1.16 O ATOM 651 CB GLU A 44 -3.522 -0.457 -8.983 1.00 0.74 C ATOM 652 CG GLU A 44 -3.665 -1.352 -10.217 1.00 1.50 C ATOM 653 CD GLU A 44 -5.028 -1.188 -10.865 1.00 2.26 C ATOM 654 OE1 GLU A 44 -5.243 -0.181 -11.569 1.00 2.76 O ATOM 655 OE2 GLU A 44 -5.869 -2.108 -10.733 1.00 3.51 O ATOM 0 H GLU A 44 -3.402 -1.850 -6.431 1.00 0.52 H new ATOM 0 HA GLU A 44 -1.537 -1.226 -8.622 1.00 0.47 H new ATOM 0 HB2 GLU A 44 -4.470 -0.426 -8.446 1.00 0.74 H new ATOM 0 HB3 GLU A 44 -3.302 0.563 -9.299 1.00 0.74 H new ATOM 0 HG2 GLU A 44 -2.886 -1.107 -10.938 1.00 1.50 H new ATOM 0 HG3 GLU A 44 -3.519 -2.394 -9.932 1.00 1.50 H new ATOM 662 N LEU A 45 -0.775 0.586 -7.047 1.00 0.61 N ATOM 663 CA LEU A 45 -0.329 1.611 -6.101 1.00 0.80 C ATOM 664 C LEU A 45 -0.618 3.044 -6.544 1.00 0.66 C ATOM 665 O LEU A 45 -0.382 3.465 -7.678 1.00 0.62 O ATOM 666 CB LEU A 45 1.120 1.443 -5.638 1.00 1.37 C ATOM 667 CG LEU A 45 2.227 1.865 -6.607 1.00 0.78 C ATOM 668 CD1 LEU A 45 3.554 1.920 -5.847 1.00 1.55 C ATOM 669 CD2 LEU A 45 2.360 0.927 -7.816 1.00 2.04 C ATOM 0 H LEU A 45 -0.050 0.245 -7.678 1.00 0.61 H new ATOM 0 HA LEU A 45 -0.955 1.434 -5.226 1.00 0.80 H new ATOM 0 HB2 LEU A 45 1.246 2.011 -4.716 1.00 1.37 H new ATOM 0 HB3 LEU A 45 1.274 0.393 -5.389 1.00 1.37 H new ATOM 0 HG LEU A 45 1.961 2.846 -7.002 1.00 0.78 H new ATOM 0 HD11 LEU A 45 4.351 2.220 -6.528 1.00 1.55 H new ATOM 0 HD12 LEU A 45 3.479 2.644 -5.035 1.00 1.55 H new ATOM 0 HD13 LEU A 45 3.779 0.936 -5.436 1.00 1.55 H new ATOM 0 HD21 LEU A 45 3.162 1.281 -8.464 1.00 2.04 H new ATOM 0 HD22 LEU A 45 2.590 -0.081 -7.471 1.00 2.04 H new ATOM 0 HD23 LEU A 45 1.422 0.915 -8.372 1.00 2.04 H new ATOM 681 N HIS A 46 -1.083 3.811 -5.572 1.00 0.68 N ATOM 682 CA HIS A 46 -1.399 5.221 -5.642 1.00 0.61 C ATOM 683 C HIS A 46 -0.574 6.027 -4.634 1.00 0.57 C ATOM 684 O HIS A 46 -0.211 5.536 -3.565 1.00 0.67 O ATOM 685 CB HIS A 46 -2.888 5.392 -5.307 1.00 0.64 C ATOM 686 CG HIS A 46 -3.896 4.721 -6.201 1.00 0.59 C ATOM 687 ND1 HIS A 46 -5.231 4.542 -5.877 1.00 0.56 N ATOM 688 CD2 HIS A 46 -3.693 4.140 -7.418 1.00 0.59 C ATOM 689 CE1 HIS A 46 -5.808 3.888 -6.887 1.00 0.57 C ATOM 690 NE2 HIS A 46 -4.898 3.612 -7.836 1.00 0.59 N ATOM 0 H HIS A 46 -1.262 3.430 -4.643 1.00 0.68 H new ATOM 0 HA HIS A 46 -1.169 5.586 -6.643 1.00 0.61 H new ATOM 0 HB2 HIS A 46 -3.046 5.026 -4.292 1.00 0.64 H new ATOM 0 HB3 HIS A 46 -3.108 6.460 -5.299 1.00 0.64 H new ATOM 0 HD1 HIS A 46 -5.690 4.854 -5.021 1.00 0.56 H new ATOM 0 HD2 HIS A 46 -2.758 4.100 -7.957 1.00 0.59 H new ATOM 0 HE1 HIS A 46 -6.853 3.620 -6.935 1.00 0.57 H new ATOM 698 N GLU A 47 -0.376 7.293 -4.956 1.00 0.45 N ATOM 699 CA GLU A 47 -0.095 8.362 -3.999 1.00 0.48 C ATOM 700 C GLU A 47 -1.405 9.038 -3.560 1.00 0.52 C ATOM 701 O GLU A 47 -2.400 9.000 -4.297 1.00 0.71 O ATOM 702 CB GLU A 47 0.872 9.368 -4.651 1.00 0.59 C ATOM 703 CG GLU A 47 0.176 10.349 -5.607 1.00 0.91 C ATOM 704 CD GLU A 47 1.105 11.163 -6.509 1.00 1.08 C ATOM 705 OE1 GLU A 47 2.335 10.953 -6.462 1.00 2.23 O ATOM 706 OE2 GLU A 47 0.545 11.983 -7.272 1.00 1.99 O ATOM 0 H GLU A 47 -0.406 7.622 -5.921 1.00 0.45 H new ATOM 0 HA GLU A 47 0.375 7.954 -3.104 1.00 0.48 H new ATOM 0 HB2 GLU A 47 1.380 9.932 -3.869 1.00 0.59 H new ATOM 0 HB3 GLU A 47 1.639 8.821 -5.199 1.00 0.59 H new ATOM 0 HG2 GLU A 47 -0.513 9.787 -6.238 1.00 0.91 H new ATOM 0 HG3 GLU A 47 -0.425 11.040 -5.016 1.00 0.91 H new ATOM 713 N THR A 48 -1.367 9.735 -2.420 1.00 0.60 N ATOM 714 CA THR A 48 -2.219 10.907 -2.155 1.00 0.49 C ATOM 715 C THR A 48 -1.337 12.145 -2.316 1.00 0.62 C ATOM 716 O THR A 48 -0.191 12.122 -1.865 1.00 0.68 O ATOM 717 CB THR A 48 -2.726 10.850 -0.721 1.00 0.80 C ATOM 718 OG1 THR A 48 -3.588 9.755 -0.576 1.00 1.13 O ATOM 719 CG2 THR A 48 -3.504 12.090 -0.267 1.00 1.10 C ATOM 0 H THR A 48 -0.742 9.503 -1.648 1.00 0.60 H new ATOM 0 HA THR A 48 -3.070 10.931 -2.835 1.00 0.49 H new ATOM 0 HB THR A 48 -1.830 10.776 -0.105 1.00 0.80 H new ATOM 0 HG1 THR A 48 -3.566 9.442 0.352 1.00 1.13 H new ATOM 0 HG21 THR A 48 -3.826 11.960 0.766 1.00 1.10 H new ATOM 0 HG22 THR A 48 -2.863 12.969 -0.339 1.00 1.10 H new ATOM 0 HG23 THR A 48 -4.378 12.225 -0.905 1.00 1.10 H new ATOM 727 N PHE A 49 -1.855 13.233 -2.892 1.00 0.83 N ATOM 728 CA PHE A 49 -1.093 14.464 -3.124 1.00 1.09 C ATOM 729 C PHE A 49 -1.897 15.742 -2.863 1.00 1.24 C ATOM 730 O PHE A 49 -3.124 15.744 -2.775 1.00 1.23 O ATOM 731 CB PHE A 49 -0.528 14.475 -4.553 1.00 1.19 C ATOM 732 CG PHE A 49 -1.581 14.631 -5.632 1.00 1.08 C ATOM 733 CD1 PHE A 49 -2.322 13.522 -6.082 1.00 1.98 C ATOM 734 CD2 PHE A 49 -1.854 15.907 -6.156 1.00 1.94 C ATOM 735 CE1 PHE A 49 -3.330 13.692 -7.048 1.00 1.91 C ATOM 736 CE2 PHE A 49 -2.872 16.073 -7.105 1.00 1.95 C ATOM 737 CZ PHE A 49 -3.607 14.971 -7.554 1.00 0.96 C ATOM 0 H PHE A 49 -2.822 13.285 -3.213 1.00 0.83 H new ATOM 0 HA PHE A 49 -0.278 14.462 -2.400 1.00 1.09 H new ATOM 0 HB2 PHE A 49 0.192 15.289 -4.642 1.00 1.19 H new ATOM 0 HB3 PHE A 49 0.018 13.547 -4.724 1.00 1.19 H new ATOM 0 HD1 PHE A 49 -2.116 12.539 -5.685 1.00 1.98 H new ATOM 0 HD2 PHE A 49 -1.279 16.760 -5.827 1.00 1.94 H new ATOM 0 HE1 PHE A 49 -3.890 12.839 -7.400 1.00 1.91 H new ATOM 0 HE2 PHE A 49 -3.090 17.057 -7.492 1.00 1.95 H new ATOM 0 HZ PHE A 49 -4.387 15.104 -8.289 1.00 0.96 H new ATOM 747 N MET A 50 -1.169 16.855 -2.779 1.00 1.44 N ATOM 748 CA MET A 50 -1.708 18.186 -2.460 1.00 1.43 C ATOM 749 C MET A 50 -2.017 19.006 -3.719 1.00 1.25 C ATOM 750 O MET A 50 -1.226 19.016 -4.660 1.00 1.44 O ATOM 751 CB MET A 50 -0.699 18.967 -1.602 1.00 1.99 C ATOM 752 CG MET A 50 -0.475 18.339 -0.225 1.00 2.51 C ATOM 753 SD MET A 50 0.726 19.242 0.785 1.00 3.38 S ATOM 754 CE MET A 50 2.250 18.482 0.171 1.00 5.14 C ATOM 0 H MET A 50 -0.161 16.861 -2.934 1.00 1.44 H new ATOM 0 HA MET A 50 -2.640 18.030 -1.916 1.00 1.43 H new ATOM 0 HB2 MET A 50 0.253 19.022 -2.130 1.00 1.99 H new ATOM 0 HB3 MET A 50 -1.053 19.990 -1.476 1.00 1.99 H new ATOM 0 HG2 MET A 50 -1.426 18.295 0.306 1.00 2.51 H new ATOM 0 HG3 MET A 50 -0.133 17.312 -0.353 1.00 2.51 H new ATOM 0 HE1 MET A 50 3.107 18.918 0.685 1.00 5.14 H new ATOM 0 HE2 MET A 50 2.222 17.409 0.359 1.00 5.14 H new ATOM 0 HE3 MET A 50 2.340 18.661 -0.900 1.00 5.14 H new ATOM 764 N ARG A 51 -3.118 19.769 -3.698 1.00 1.01 N ATOM 765 CA ARG A 51 -3.434 20.786 -4.714 1.00 0.90 C ATOM 766 C ARG A 51 -4.089 22.066 -4.182 1.00 0.94 C ATOM 767 O ARG A 51 -4.858 22.065 -3.221 1.00 1.05 O ATOM 768 CB ARG A 51 -4.344 20.195 -5.810 1.00 1.00 C ATOM 769 CG ARG A 51 -3.521 19.811 -7.043 1.00 1.33 C ATOM 770 CD ARG A 51 -4.394 19.561 -8.274 1.00 1.79 C ATOM 771 NE ARG A 51 -4.835 20.839 -8.875 1.00 2.98 N ATOM 772 CZ ARG A 51 -4.911 21.134 -10.166 1.00 3.70 C ATOM 773 NH1 ARG A 51 -4.644 20.241 -11.101 1.00 3.84 N ATOM 774 NH2 ARG A 51 -5.267 22.352 -10.512 1.00 5.09 N ATOM 0 H ARG A 51 -3.825 19.697 -2.966 1.00 1.01 H new ATOM 0 HA ARG A 51 -2.461 21.076 -5.110 1.00 0.90 H new ATOM 0 HB2 ARG A 51 -4.864 19.318 -5.425 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -5.108 20.922 -6.087 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -2.808 20.606 -7.262 1.00 1.33 H new ATOM 0 HG3 ARG A 51 -2.941 18.914 -6.824 1.00 1.33 H new ATOM 0 HD2 ARG A 51 -3.836 18.982 -9.010 1.00 1.79 H new ATOM 0 HD3 ARG A 51 -5.264 18.967 -7.994 1.00 1.79 H new ATOM 0 HE ARG A 51 -5.111 21.575 -8.225 1.00 2.98 H new ATOM 0 HH11 ARG A 51 -4.370 19.294 -10.839 1.00 3.84 H new ATOM 0 HH12 ARG A 51 -4.711 20.498 -12.086 1.00 3.84 H new ATOM 0 HH21 ARG A 51 -5.477 23.045 -9.794 1.00 5.09 H new ATOM 0 HH22 ARG A 51 -5.333 22.603 -11.498 1.00 5.09 H new ATOM 788 N GLU A 52 -3.875 23.150 -4.921 1.00 1.02 N ATOM 789 CA GLU A 52 -4.818 24.233 -5.097 1.00 1.08 C ATOM 790 C GLU A 52 -5.746 23.896 -6.278 1.00 0.99 C ATOM 791 O GLU A 52 -5.284 23.290 -7.256 1.00 1.07 O ATOM 792 CB GLU A 52 -3.962 25.450 -5.455 1.00 1.41 C ATOM 793 CG GLU A 52 -4.737 26.752 -5.408 1.00 1.80 C ATOM 794 CD GLU A 52 -4.771 27.293 -3.991 1.00 1.96 C ATOM 795 OE1 GLU A 52 -5.349 26.633 -3.106 1.00 1.87 O ATOM 796 OE2 GLU A 52 -4.218 28.374 -3.733 1.00 3.05 O ATOM 0 H GLU A 52 -3.004 23.297 -5.431 1.00 1.02 H new ATOM 0 HA GLU A 52 -5.430 24.406 -4.212 1.00 1.08 H new ATOM 0 HB2 GLU A 52 -3.119 25.510 -4.767 1.00 1.41 H new ATOM 0 HB3 GLU A 52 -3.548 25.315 -6.454 1.00 1.41 H new ATOM 0 HG2 GLU A 52 -4.275 27.482 -6.072 1.00 1.80 H new ATOM 0 HG3 GLU A 52 -5.753 26.591 -5.768 1.00 1.80 H new ATOM 803 N VAL A 53 -7.017 24.309 -6.225 1.00 1.04 N ATOM 804 CA VAL A 53 -7.923 24.232 -7.400 1.00 1.20 C ATOM 805 C VAL A 53 -8.708 25.501 -7.757 1.00 1.70 C ATOM 806 O VAL A 53 -9.291 25.586 -8.834 1.00 3.53 O ATOM 807 CB VAL A 53 -8.888 23.022 -7.318 1.00 1.20 C ATOM 808 CG1 VAL A 53 -8.143 21.713 -7.630 1.00 2.51 C ATOM 809 CG2 VAL A 53 -9.585 22.932 -5.947 1.00 2.41 C ATOM 0 H VAL A 53 -7.450 24.700 -5.389 1.00 1.04 H new ATOM 0 HA VAL A 53 -7.218 24.100 -8.221 1.00 1.20 H new ATOM 0 HB VAL A 53 -9.663 23.174 -8.069 1.00 1.20 H new ATOM 0 HG11 VAL A 53 -8.838 20.875 -7.567 1.00 2.51 H new ATOM 0 HG12 VAL A 53 -7.725 21.763 -8.635 1.00 2.51 H new ATOM 0 HG13 VAL A 53 -7.338 21.572 -6.909 1.00 2.51 H new ATOM 0 HG21 VAL A 53 -10.252 22.070 -5.934 1.00 2.41 H new ATOM 0 HG22 VAL A 53 -8.835 22.822 -5.164 1.00 2.41 H new ATOM 0 HG23 VAL A 53 -10.162 23.840 -5.772 1.00 2.41 H new ATOM 819 N GLU A 54 -8.675 26.494 -6.878 1.00 1.47 N ATOM 820 CA GLU A 54 -9.562 27.678 -6.896 1.00 1.54 C ATOM 821 C GLU A 54 -9.025 28.843 -6.022 1.00 1.51 C ATOM 822 O GLU A 54 -9.801 29.613 -5.460 1.00 1.65 O ATOM 823 CB GLU A 54 -10.964 27.295 -6.369 1.00 1.78 C ATOM 824 CG GLU A 54 -11.801 26.205 -7.050 1.00 2.39 C ATOM 825 CD GLU A 54 -13.051 26.014 -6.199 1.00 2.66 C ATOM 826 OE1 GLU A 54 -14.017 26.786 -6.388 1.00 2.75 O ATOM 827 OE2 GLU A 54 -12.982 25.296 -5.176 1.00 3.74 O ATOM 0 H GLU A 54 -8.013 26.510 -6.102 1.00 1.47 H new ATOM 0 HA GLU A 54 -9.606 28.014 -7.932 1.00 1.54 H new ATOM 0 HB2 GLU A 54 -10.842 26.997 -5.328 1.00 1.78 H new ATOM 0 HB3 GLU A 54 -11.564 28.205 -6.372 1.00 1.78 H new ATOM 0 HG2 GLU A 54 -12.066 26.499 -8.066 1.00 2.39 H new ATOM 0 HG3 GLU A 54 -11.238 25.275 -7.124 1.00 2.39 H new ATOM 834 N GLY A 55 -7.714 28.894 -5.746 1.00 1.53 N ATOM 835 CA GLY A 55 -7.185 29.659 -4.592 1.00 1.67 C ATOM 836 C GLY A 55 -7.546 29.020 -3.237 1.00 1.64 C ATOM 837 O GLY A 55 -7.233 29.547 -2.169 1.00 1.89 O ATOM 0 H GLY A 55 -6.999 28.420 -6.298 1.00 1.53 H new ATOM 0 HA2 GLY A 55 -6.101 29.732 -4.677 1.00 1.67 H new ATOM 0 HA3 GLY A 55 -7.577 30.676 -4.625 1.00 1.67 H new ATOM 841 N LYS A 56 -8.191 27.852 -3.296 1.00 1.44 N ATOM 842 CA LYS A 56 -8.649 27.007 -2.213 1.00 1.46 C ATOM 843 C LYS A 56 -7.959 25.646 -2.358 1.00 1.28 C ATOM 844 O LYS A 56 -7.859 25.058 -3.449 1.00 1.26 O ATOM 845 CB LYS A 56 -10.180 26.855 -2.246 1.00 1.59 C ATOM 846 CG LYS A 56 -10.919 28.146 -1.848 1.00 2.06 C ATOM 847 CD LYS A 56 -12.442 27.979 -1.958 1.00 2.25 C ATOM 848 CE LYS A 56 -12.917 28.181 -3.406 1.00 2.41 C ATOM 849 NZ LYS A 56 -14.054 27.301 -3.761 1.00 2.59 N ATOM 0 H LYS A 56 -8.424 27.442 -4.200 1.00 1.44 H new ATOM 0 HA LYS A 56 -8.395 27.455 -1.252 1.00 1.46 H new ATOM 0 HB2 LYS A 56 -10.489 26.560 -3.249 1.00 1.59 H new ATOM 0 HB3 LYS A 56 -10.475 26.051 -1.572 1.00 1.59 H new ATOM 0 HG2 LYS A 56 -10.655 28.418 -0.826 1.00 2.06 H new ATOM 0 HG3 LYS A 56 -10.594 28.965 -2.490 1.00 2.06 H new ATOM 0 HD2 LYS A 56 -12.728 26.985 -1.613 1.00 2.25 H new ATOM 0 HD3 LYS A 56 -12.938 28.698 -1.306 1.00 2.25 H new ATOM 0 HE2 LYS A 56 -13.210 29.221 -3.546 1.00 2.41 H new ATOM 0 HE3 LYS A 56 -12.088 27.989 -4.087 1.00 2.41 H new ATOM 0 HZ1 LYS A 56 -14.368 27.513 -4.730 1.00 2.59 H new ATOM 0 HZ2 LYS A 56 -13.755 26.307 -3.704 1.00 2.59 H new ATOM 0 HZ3 LYS A 56 -14.839 27.465 -3.099 1.00 2.59 H new ATOM 863 N LYS A 57 -7.477 25.189 -1.210 1.00 1.26 N ATOM 864 CA LYS A 57 -6.700 23.984 -1.008 1.00 1.17 C ATOM 865 C LYS A 57 -7.622 22.760 -1.095 1.00 1.16 C ATOM 866 O LYS A 57 -8.770 22.806 -0.660 1.00 1.45 O ATOM 867 CB LYS A 57 -5.977 24.033 0.363 1.00 1.19 C ATOM 868 CG LYS A 57 -5.592 25.411 0.948 1.00 1.98 C ATOM 869 CD LYS A 57 -4.702 26.299 0.057 1.00 3.17 C ATOM 870 CE LYS A 57 -5.316 27.707 -0.061 1.00 3.94 C ATOM 871 NZ LYS A 57 -4.663 28.536 -1.099 1.00 4.89 N ATOM 0 H LYS A 57 -7.633 25.691 -0.336 1.00 1.26 H new ATOM 0 HA LYS A 57 -5.941 23.909 -1.786 1.00 1.17 H new ATOM 0 HB2 LYS A 57 -6.614 23.531 1.091 1.00 1.19 H new ATOM 0 HB3 LYS A 57 -5.064 23.443 0.277 1.00 1.19 H new ATOM 0 HG2 LYS A 57 -6.508 25.957 1.171 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -5.078 25.250 1.896 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -3.699 26.364 0.480 1.00 3.17 H new ATOM 0 HD3 LYS A 57 -4.602 25.852 -0.932 1.00 3.17 H new ATOM 0 HE2 LYS A 57 -6.378 27.617 -0.290 1.00 3.94 H new ATOM 0 HE3 LYS A 57 -5.240 28.213 0.902 1.00 3.94 H new ATOM 0 HZ1 LYS A 57 -5.372 29.146 -1.553 1.00 4.89 H new ATOM 0 HZ2 LYS A 57 -3.929 29.127 -0.660 1.00 4.89 H new ATOM 0 HZ3 LYS A 57 -4.229 27.918 -1.814 1.00 4.89 H new ATOM 885 N VAL A 58 -7.075 21.672 -1.609 1.00 1.02 N ATOM 886 CA VAL A 58 -7.717 20.360 -1.770 1.00 0.99 C ATOM 887 C VAL A 58 -6.644 19.264 -1.800 1.00 0.93 C ATOM 888 O VAL A 58 -5.452 19.552 -1.915 1.00 1.03 O ATOM 889 CB VAL A 58 -8.632 20.346 -3.024 1.00 1.02 C ATOM 890 CG1 VAL A 58 -7.847 20.152 -4.333 1.00 2.56 C ATOM 891 CG2 VAL A 58 -9.751 19.296 -2.921 1.00 1.87 C ATOM 0 H VAL A 58 -6.113 21.671 -1.948 1.00 1.02 H new ATOM 0 HA VAL A 58 -8.366 20.159 -0.918 1.00 0.99 H new ATOM 0 HB VAL A 58 -9.092 21.334 -3.054 1.00 1.02 H new ATOM 0 HG11 VAL A 58 -8.539 20.151 -5.175 1.00 2.56 H new ATOM 0 HG12 VAL A 58 -7.132 20.966 -4.452 1.00 2.56 H new ATOM 0 HG13 VAL A 58 -7.314 19.202 -4.300 1.00 2.56 H new ATOM 0 HG21 VAL A 58 -10.363 19.327 -3.823 1.00 1.87 H new ATOM 0 HG22 VAL A 58 -9.311 18.304 -2.815 1.00 1.87 H new ATOM 0 HG23 VAL A 58 -10.374 19.512 -2.053 1.00 1.87 H new ATOM 901 N MET A 59 -7.062 18.004 -1.703 1.00 0.87 N ATOM 902 CA MET A 59 -6.205 16.818 -1.833 1.00 0.81 C ATOM 903 C MET A 59 -6.728 15.911 -2.949 1.00 0.69 C ATOM 904 O MET A 59 -7.936 15.811 -3.153 1.00 0.82 O ATOM 905 CB MET A 59 -6.158 16.063 -0.498 1.00 0.90 C ATOM 906 CG MET A 59 -5.300 16.814 0.526 1.00 1.07 C ATOM 907 SD MET A 59 -3.527 16.474 0.396 1.00 3.48 S ATOM 908 CE MET A 59 -3.310 15.442 1.866 1.00 3.64 C ATOM 0 H MET A 59 -8.038 17.768 -1.526 1.00 0.87 H new ATOM 0 HA MET A 59 -5.194 17.132 -2.092 1.00 0.81 H new ATOM 0 HB2 MET A 59 -7.169 15.939 -0.110 1.00 0.90 H new ATOM 0 HB3 MET A 59 -5.752 15.064 -0.655 1.00 0.90 H new ATOM 0 HG2 MET A 59 -5.463 17.885 0.405 1.00 1.07 H new ATOM 0 HG3 MET A 59 -5.637 16.551 1.529 1.00 1.07 H new ATOM 0 HE1 MET A 59 -2.266 15.138 1.946 1.00 3.64 H new ATOM 0 HE2 MET A 59 -3.592 16.009 2.753 1.00 3.64 H new ATOM 0 HE3 MET A 59 -3.941 14.557 1.786 1.00 3.64 H new ATOM 918 N GLY A 60 -5.810 15.273 -3.674 1.00 0.71 N ATOM 919 CA GLY A 60 -6.086 14.290 -4.722 1.00 0.59 C ATOM 920 C GLY A 60 -5.411 12.951 -4.444 1.00 0.48 C ATOM 921 O GLY A 60 -4.688 12.784 -3.466 1.00 0.51 O ATOM 0 H GLY A 60 -4.811 15.434 -3.542 1.00 0.71 H new ATOM 0 HA2 GLY A 60 -7.163 14.142 -4.806 1.00 0.59 H new ATOM 0 HA3 GLY A 60 -5.742 14.677 -5.681 1.00 0.59 H new ATOM 925 N MET A 61 -5.626 11.994 -5.345 1.00 0.50 N ATOM 926 CA MET A 61 -4.996 10.674 -5.358 1.00 0.49 C ATOM 927 C MET A 61 -4.704 10.283 -6.812 1.00 0.48 C ATOM 928 O MET A 61 -5.475 10.604 -7.719 1.00 0.51 O ATOM 929 CB MET A 61 -5.951 9.712 -4.645 1.00 0.59 C ATOM 930 CG MET A 61 -5.585 8.229 -4.716 1.00 0.54 C ATOM 931 SD MET A 61 -6.959 7.054 -4.425 1.00 0.51 S ATOM 932 CE MET A 61 -7.798 7.827 -3.023 1.00 0.67 C ATOM 0 H MET A 61 -6.274 12.123 -6.122 1.00 0.50 H new ATOM 0 HA MET A 61 -4.040 10.653 -4.834 1.00 0.49 H new ATOM 0 HB2 MET A 61 -6.010 10.001 -3.596 1.00 0.59 H new ATOM 0 HB3 MET A 61 -6.947 9.841 -5.068 1.00 0.59 H new ATOM 0 HG2 MET A 61 -5.160 8.026 -5.699 1.00 0.54 H new ATOM 0 HG3 MET A 61 -4.802 8.032 -3.984 1.00 0.54 H new ATOM 0 HE1 MET A 61 -8.531 7.134 -2.611 1.00 0.67 H new ATOM 0 HE2 MET A 61 -7.066 8.080 -2.256 1.00 0.67 H new ATOM 0 HE3 MET A 61 -8.303 8.734 -3.356 1.00 0.67 H new ATOM 942 N ARG A 62 -3.561 9.641 -7.042 1.00 0.48 N ATOM 943 CA ARG A 62 -2.925 9.465 -8.356 1.00 0.57 C ATOM 944 C ARG A 62 -2.215 8.102 -8.390 1.00 0.50 C ATOM 945 O ARG A 62 -1.543 7.786 -7.414 1.00 0.47 O ATOM 946 CB ARG A 62 -1.888 10.598 -8.510 1.00 0.91 C ATOM 947 CG ARG A 62 -2.165 11.667 -9.567 1.00 1.15 C ATOM 948 CD ARG A 62 -1.390 11.470 -10.876 1.00 1.69 C ATOM 949 NE ARG A 62 -2.254 10.929 -11.938 1.00 3.51 N ATOM 950 CZ ARG A 62 -1.997 10.945 -13.242 1.00 4.70 C ATOM 951 NH1 ARG A 62 -0.847 11.378 -13.714 1.00 4.24 N ATOM 952 NH2 ARG A 62 -2.910 10.526 -14.095 1.00 6.69 N ATOM 0 H ARG A 62 -3.026 9.209 -6.289 1.00 0.48 H new ATOM 0 HA ARG A 62 -3.658 9.499 -9.162 1.00 0.57 H new ATOM 0 HB2 ARG A 62 -1.788 11.096 -7.546 1.00 0.91 H new ATOM 0 HB3 ARG A 62 -0.923 10.143 -8.736 1.00 0.91 H new ATOM 0 HG2 ARG A 62 -3.232 11.677 -9.787 1.00 1.15 H new ATOM 0 HG3 ARG A 62 -1.916 12.644 -9.154 1.00 1.15 H new ATOM 0 HD2 ARG A 62 -0.969 12.423 -11.198 1.00 1.69 H new ATOM 0 HD3 ARG A 62 -0.553 10.793 -10.706 1.00 1.69 H new ATOM 0 HE ARG A 62 -3.133 10.502 -11.646 1.00 3.51 H new ATOM 0 HH11 ARG A 62 -0.126 11.712 -13.074 1.00 4.24 H new ATOM 0 HH12 ARG A 62 -0.676 11.379 -14.720 1.00 4.24 H new ATOM 0 HH21 ARG A 62 -3.811 10.191 -13.754 1.00 6.69 H new ATOM 0 HH22 ARG A 62 -2.716 10.537 -15.096 1.00 6.69 H new ATOM 966 N PRO A 63 -2.328 7.275 -9.447 1.00 0.57 N ATOM 967 CA PRO A 63 -1.566 6.035 -9.532 1.00 0.60 C ATOM 968 C PRO A 63 -0.097 6.333 -9.830 1.00 0.58 C ATOM 969 O PRO A 63 0.176 7.272 -10.577 1.00 0.63 O ATOM 970 CB PRO A 63 -2.237 5.216 -10.629 1.00 0.73 C ATOM 971 CG PRO A 63 -2.778 6.294 -11.573 1.00 0.76 C ATOM 972 CD PRO A 63 -3.168 7.435 -10.625 1.00 0.68 C ATOM 0 HA PRO A 63 -1.564 5.479 -8.595 1.00 0.60 H new ATOM 0 HB2 PRO A 63 -1.530 4.556 -11.131 1.00 0.73 H new ATOM 0 HB3 PRO A 63 -3.035 4.587 -10.234 1.00 0.73 H new ATOM 0 HG2 PRO A 63 -2.025 6.611 -12.294 1.00 0.76 H new ATOM 0 HG3 PRO A 63 -3.635 5.935 -12.143 1.00 0.76 H new ATOM 0 HD2 PRO A 63 -3.005 8.406 -11.093 1.00 0.68 H new ATOM 0 HD3 PRO A 63 -4.225 7.382 -10.362 1.00 0.68 H new ATOM 980 N VAL A 64 0.829 5.557 -9.248 1.00 0.59 N ATOM 981 CA VAL A 64 2.280 5.837 -9.353 1.00 0.61 C ATOM 982 C VAL A 64 3.056 4.592 -9.807 1.00 0.56 C ATOM 983 O VAL A 64 2.567 3.482 -9.594 1.00 0.52 O ATOM 984 CB VAL A 64 2.852 6.438 -8.047 1.00 0.65 C ATOM 985 CG1 VAL A 64 2.245 7.822 -7.790 1.00 0.84 C ATOM 986 CG2 VAL A 64 2.684 5.541 -6.816 1.00 0.64 C ATOM 0 H VAL A 64 0.605 4.728 -8.698 1.00 0.59 H new ATOM 0 HA VAL A 64 2.410 6.597 -10.123 1.00 0.61 H new ATOM 0 HB VAL A 64 3.927 6.525 -8.203 1.00 0.65 H new ATOM 0 HG11 VAL A 64 2.656 8.234 -6.868 1.00 0.84 H new ATOM 0 HG12 VAL A 64 2.484 8.484 -8.622 1.00 0.84 H new ATOM 0 HG13 VAL A 64 1.163 7.733 -7.697 1.00 0.84 H new ATOM 0 HG21 VAL A 64 3.111 6.036 -5.944 1.00 0.64 H new ATOM 0 HG22 VAL A 64 1.624 5.354 -6.644 1.00 0.64 H new ATOM 0 HG23 VAL A 64 3.197 4.594 -6.983 1.00 0.64 H new ATOM 996 N PRO A 65 4.221 4.743 -10.476 1.00 0.61 N ATOM 997 CA PRO A 65 4.869 3.654 -11.203 1.00 0.62 C ATOM 998 C PRO A 65 5.657 2.720 -10.289 1.00 0.57 C ATOM 999 O PRO A 65 5.818 1.555 -10.639 1.00 0.59 O ATOM 1000 CB PRO A 65 5.766 4.340 -12.233 1.00 0.72 C ATOM 1001 CG PRO A 65 6.186 5.628 -11.528 1.00 0.74 C ATOM 1002 CD PRO A 65 4.948 5.988 -10.706 1.00 0.69 C ATOM 0 HA PRO A 65 4.132 3.004 -11.675 1.00 0.62 H new ATOM 0 HB2 PRO A 65 6.627 3.723 -12.491 1.00 0.72 H new ATOM 0 HB3 PRO A 65 5.231 4.545 -13.160 1.00 0.72 H new ATOM 0 HG2 PRO A 65 7.060 5.475 -10.895 1.00 0.74 H new ATOM 0 HG3 PRO A 65 6.441 6.413 -12.240 1.00 0.74 H new ATOM 0 HD2 PRO A 65 5.232 6.451 -9.761 1.00 0.69 H new ATOM 0 HD3 PRO A 65 4.325 6.707 -11.238 1.00 0.69 H new ATOM 1010 N PHE A 66 6.123 3.217 -9.137 1.00 0.53 N ATOM 1011 CA PHE A 66 6.906 2.465 -8.150 1.00 0.48 C ATOM 1012 C PHE A 66 7.220 3.304 -6.901 1.00 0.44 C ATOM 1013 O PHE A 66 7.137 4.533 -6.922 1.00 0.49 O ATOM 1014 CB PHE A 66 8.221 1.933 -8.762 1.00 0.54 C ATOM 1015 CG PHE A 66 9.194 3.018 -9.143 1.00 0.58 C ATOM 1016 CD1 PHE A 66 10.090 3.513 -8.181 1.00 1.87 C ATOM 1017 CD2 PHE A 66 9.156 3.568 -10.433 1.00 1.90 C ATOM 1018 CE1 PHE A 66 10.938 4.583 -8.492 1.00 1.97 C ATOM 1019 CE2 PHE A 66 10.031 4.621 -10.762 1.00 1.85 C ATOM 1020 CZ PHE A 66 10.918 5.129 -9.789 1.00 0.72 C ATOM 0 H PHE A 66 5.960 4.184 -8.858 1.00 0.53 H new ATOM 0 HA PHE A 66 6.288 1.620 -7.847 1.00 0.48 H new ATOM 0 HB2 PHE A 66 8.699 1.263 -8.047 1.00 0.54 H new ATOM 0 HB3 PHE A 66 7.986 1.341 -9.646 1.00 0.54 H new ATOM 0 HD1 PHE A 66 10.125 3.067 -7.198 1.00 1.87 H new ATOM 0 HD2 PHE A 66 8.462 3.187 -11.167 1.00 1.90 H new ATOM 0 HE1 PHE A 66 11.602 4.986 -7.742 1.00 1.97 H new ATOM 0 HE2 PHE A 66 10.023 5.039 -11.758 1.00 1.85 H new ATOM 0 HZ PHE A 66 11.585 5.941 -10.041 1.00 0.72 H new ATOM 1030 N LEU A 67 7.670 2.617 -5.844 1.00 0.40 N ATOM 1031 CA LEU A 67 8.293 3.176 -4.637 1.00 0.44 C ATOM 1032 C LEU A 67 9.739 2.696 -4.479 1.00 0.48 C ATOM 1033 O LEU A 67 10.054 1.573 -4.859 1.00 0.48 O ATOM 1034 CB LEU A 67 7.527 2.711 -3.389 1.00 0.52 C ATOM 1035 CG LEU A 67 6.019 2.996 -3.375 1.00 0.50 C ATOM 1036 CD1 LEU A 67 5.499 2.680 -1.979 1.00 0.62 C ATOM 1037 CD2 LEU A 67 5.648 4.439 -3.714 1.00 0.48 C ATOM 0 H LEU A 67 7.606 1.600 -5.805 1.00 0.40 H new ATOM 0 HA LEU A 67 8.270 4.261 -4.739 1.00 0.44 H new ATOM 0 HB2 LEU A 67 7.674 1.637 -3.277 1.00 0.52 H new ATOM 0 HB3 LEU A 67 7.974 3.186 -2.516 1.00 0.52 H new ATOM 0 HG LEU A 67 5.569 2.374 -4.149 1.00 0.50 H new ATOM 0 HD11 LEU A 67 4.427 2.873 -1.938 1.00 0.62 H new ATOM 0 HD12 LEU A 67 5.688 1.631 -1.749 1.00 0.62 H new ATOM 0 HD13 LEU A 67 6.009 3.309 -1.250 1.00 0.62 H new ATOM 0 HD21 LEU A 67 4.565 4.553 -3.681 1.00 0.48 H new ATOM 0 HD22 LEU A 67 6.106 5.112 -2.989 1.00 0.48 H new ATOM 0 HD23 LEU A 67 6.009 4.682 -4.713 1.00 0.48 H new ATOM 1049 N GLU A 68 10.577 3.516 -3.848 1.00 0.54 N ATOM 1050 CA GLU A 68 11.978 3.212 -3.548 1.00 0.60 C ATOM 1051 C GLU A 68 12.185 3.095 -2.034 1.00 0.72 C ATOM 1052 O GLU A 68 11.595 3.863 -1.275 1.00 0.86 O ATOM 1053 CB GLU A 68 12.872 4.345 -4.089 1.00 0.82 C ATOM 1054 CG GLU A 68 14.376 4.009 -4.066 1.00 0.78 C ATOM 1055 CD GLU A 68 14.789 3.017 -5.161 1.00 0.95 C ATOM 1056 OE1 GLU A 68 13.910 2.540 -5.913 1.00 2.03 O ATOM 1057 OE2 GLU A 68 16.005 2.773 -5.322 1.00 1.69 O ATOM 0 H GLU A 68 10.293 4.439 -3.521 1.00 0.54 H new ATOM 0 HA GLU A 68 12.242 2.266 -4.020 1.00 0.60 H new ATOM 0 HB2 GLU A 68 12.575 4.573 -5.113 1.00 0.82 H new ATOM 0 HB3 GLU A 68 12.700 5.245 -3.499 1.00 0.82 H new ATOM 0 HG2 GLU A 68 14.949 4.929 -4.183 1.00 0.78 H new ATOM 0 HG3 GLU A 68 14.634 3.594 -3.092 1.00 0.78 H new ATOM 1064 N VAL A 69 13.078 2.191 -1.611 1.00 0.72 N ATOM 1065 CA VAL A 69 13.670 2.186 -0.262 1.00 0.74 C ATOM 1066 C VAL A 69 15.179 1.879 -0.332 1.00 0.73 C ATOM 1067 O VAL A 69 15.556 0.858 -0.910 1.00 0.75 O ATOM 1068 CB VAL A 69 12.958 1.185 0.687 1.00 0.77 C ATOM 1069 CG1 VAL A 69 13.553 1.169 2.107 1.00 0.87 C ATOM 1070 CG2 VAL A 69 11.471 1.525 0.833 1.00 0.87 C ATOM 0 H VAL A 69 13.416 1.431 -2.202 1.00 0.72 H new ATOM 0 HA VAL A 69 13.529 3.184 0.153 1.00 0.74 H new ATOM 0 HB VAL A 69 13.101 0.209 0.224 1.00 0.77 H new ATOM 0 HG11 VAL A 69 13.011 0.449 2.720 1.00 0.87 H new ATOM 0 HG12 VAL A 69 14.604 0.885 2.058 1.00 0.87 H new ATOM 0 HG13 VAL A 69 13.465 2.161 2.549 1.00 0.87 H new ATOM 0 HG21 VAL A 69 10.998 0.807 1.503 1.00 0.87 H new ATOM 0 HG22 VAL A 69 11.366 2.529 1.244 1.00 0.87 H new ATOM 0 HG23 VAL A 69 10.990 1.481 -0.144 1.00 0.87 H new ATOM 1080 N PRO A 70 16.053 2.719 0.265 1.00 0.75 N ATOM 1081 CA PRO A 70 17.505 2.521 0.274 1.00 0.79 C ATOM 1082 C PRO A 70 17.914 1.303 1.127 1.00 0.85 C ATOM 1083 O PRO A 70 17.087 0.800 1.889 1.00 0.93 O ATOM 1084 CB PRO A 70 18.083 3.831 0.831 1.00 0.85 C ATOM 1085 CG PRO A 70 16.978 4.343 1.747 1.00 0.85 C ATOM 1086 CD PRO A 70 15.714 3.933 0.998 1.00 0.80 C ATOM 0 HA PRO A 70 17.888 2.304 -0.723 1.00 0.79 H new ATOM 0 HB2 PRO A 70 19.011 3.661 1.377 1.00 0.85 H new ATOM 0 HB3 PRO A 70 18.307 4.542 0.036 1.00 0.85 H new ATOM 0 HG2 PRO A 70 17.029 3.890 2.737 1.00 0.85 H new ATOM 0 HG3 PRO A 70 17.035 5.422 1.888 1.00 0.85 H new ATOM 0 HD2 PRO A 70 14.892 3.753 1.691 1.00 0.80 H new ATOM 0 HD3 PRO A 70 15.391 4.721 0.318 1.00 0.80 H new ATOM 1094 N PRO A 71 19.170 0.822 1.016 1.00 0.88 N ATOM 1095 CA PRO A 71 19.644 -0.354 1.740 1.00 1.01 C ATOM 1096 C PRO A 71 19.654 -0.192 3.255 1.00 1.12 C ATOM 1097 O PRO A 71 19.903 0.891 3.780 1.00 1.11 O ATOM 1098 CB PRO A 71 21.047 -0.640 1.212 1.00 1.09 C ATOM 1099 CG PRO A 71 21.511 0.663 0.582 1.00 1.01 C ATOM 1100 CD PRO A 71 20.205 1.294 0.105 1.00 0.90 C ATOM 0 HA PRO A 71 18.957 -1.182 1.566 1.00 1.01 H new ATOM 0 HB2 PRO A 71 21.715 -0.948 2.016 1.00 1.09 H new ATOM 0 HB3 PRO A 71 21.035 -1.448 0.481 1.00 1.09 H new ATOM 0 HG2 PRO A 71 22.028 1.298 1.301 1.00 1.01 H new ATOM 0 HG3 PRO A 71 22.201 0.490 -0.244 1.00 1.01 H new ATOM 0 HD2 PRO A 71 20.270 2.382 0.120 1.00 0.90 H new ATOM 0 HD3 PRO A 71 19.983 1.002 -0.921 1.00 0.90 H new ATOM 1108 N LYS A 72 19.422 -1.316 3.945 1.00 1.34 N ATOM 1109 CA LYS A 72 19.512 -1.486 5.404 1.00 1.66 C ATOM 1110 C LYS A 72 18.771 -0.413 6.206 1.00 1.68 C ATOM 1111 O LYS A 72 19.229 0.096 7.230 1.00 2.19 O ATOM 1112 CB LYS A 72 20.955 -1.799 5.817 1.00 2.31 C ATOM 1113 CG LYS A 72 21.373 -3.052 5.026 1.00 2.72 C ATOM 1114 CD LYS A 72 22.345 -3.960 5.751 1.00 2.28 C ATOM 1115 CE LYS A 72 23.761 -3.379 5.698 1.00 1.85 C ATOM 1116 NZ LYS A 72 24.774 -4.456 5.730 1.00 2.61 N ATOM 0 H LYS A 72 19.151 -2.180 3.476 1.00 1.34 H new ATOM 0 HA LYS A 72 18.941 -2.369 5.690 1.00 1.66 H new ATOM 0 HB2 LYS A 72 21.614 -0.960 5.592 1.00 2.31 H new ATOM 0 HB3 LYS A 72 21.022 -1.977 6.890 1.00 2.31 H new ATOM 0 HG2 LYS A 72 20.479 -3.624 4.777 1.00 2.72 H new ATOM 0 HG3 LYS A 72 21.823 -2.738 4.084 1.00 2.72 H new ATOM 0 HD2 LYS A 72 22.034 -4.082 6.789 1.00 2.28 H new ATOM 0 HD3 LYS A 72 22.335 -4.951 5.297 1.00 2.28 H new ATOM 0 HE2 LYS A 72 23.882 -2.787 4.791 1.00 1.85 H new ATOM 0 HE3 LYS A 72 23.914 -2.705 6.541 1.00 1.85 H new ATOM 0 HZ1 LYS A 72 25.495 -4.276 5.002 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 25.226 -4.480 6.666 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 24.315 -5.370 5.544 1.00 2.61 H new ATOM 1130 N GLY A 73 17.574 -0.132 5.701 1.00 1.62 N ATOM 1131 CA GLY A 73 16.556 0.762 6.254 1.00 1.78 C ATOM 1132 C GLY A 73 15.152 0.176 6.105 1.00 1.58 C ATOM 1133 O GLY A 73 14.955 -0.803 5.389 1.00 1.40 O ATOM 0 H GLY A 73 17.264 -0.555 4.826 1.00 1.62 H new ATOM 0 HA2 GLY A 73 16.765 0.944 7.308 1.00 1.78 H new ATOM 0 HA3 GLY A 73 16.604 1.726 5.748 1.00 1.78 H new ATOM 1137 N ARG A 74 14.165 0.786 6.766 1.00 1.77 N ATOM 1138 CA ARG A 74 12.754 0.394 6.654 1.00 1.70 C ATOM 1139 C ARG A 74 11.835 1.609 6.828 1.00 2.01 C ATOM 1140 O ARG A 74 12.093 2.441 7.696 1.00 2.88 O ATOM 1141 CB ARG A 74 12.430 -0.767 7.605 1.00 2.65 C ATOM 1142 CG ARG A 74 12.396 -0.481 9.115 1.00 2.61 C ATOM 1143 CD ARG A 74 11.026 -0.064 9.622 1.00 2.29 C ATOM 1144 NE ARG A 74 10.817 -0.456 11.029 1.00 2.88 N ATOM 1145 CZ ARG A 74 9.952 -1.361 11.481 1.00 3.79 C ATOM 1146 NH1 ARG A 74 9.212 -2.107 10.697 1.00 4.56 N ATOM 1147 NH2 ARG A 74 9.814 -1.523 12.778 1.00 4.48 N ATOM 0 H ARG A 74 14.321 1.571 7.398 1.00 1.77 H new ATOM 0 HA ARG A 74 12.567 0.017 5.648 1.00 1.70 H new ATOM 0 HB2 ARG A 74 11.458 -1.169 7.320 1.00 2.65 H new ATOM 0 HB3 ARG A 74 13.164 -1.554 7.432 1.00 2.65 H new ATOM 0 HG2 ARG A 74 12.718 -1.373 9.653 1.00 2.61 H new ATOM 0 HG3 ARG A 74 13.114 0.306 9.344 1.00 2.61 H new ATOM 0 HD2 ARG A 74 10.917 1.016 9.526 1.00 2.29 H new ATOM 0 HD3 ARG A 74 10.255 -0.519 9.000 1.00 2.29 H new ATOM 0 HE ARG A 74 11.394 0.014 11.726 1.00 2.88 H new ATOM 0 HH11 ARG A 74 9.283 -2.009 9.684 1.00 4.56 H new ATOM 0 HH12 ARG A 74 8.565 -2.785 11.100 1.00 4.56 H new ATOM 0 HH21 ARG A 74 10.366 -0.959 13.424 1.00 4.48 H new ATOM 0 HH22 ARG A 74 9.155 -2.213 13.139 1.00 4.48 H new ATOM 1161 N VAL A 75 10.822 1.744 5.973 1.00 1.71 N ATOM 1162 CA VAL A 75 10.060 2.989 5.738 1.00 2.37 C ATOM 1163 C VAL A 75 8.640 2.631 5.301 1.00 1.78 C ATOM 1164 O VAL A 75 8.467 1.735 4.488 1.00 1.68 O ATOM 1165 CB VAL A 75 10.705 3.860 4.622 1.00 3.22 C ATOM 1166 CG1 VAL A 75 9.951 5.194 4.437 1.00 4.17 C ATOM 1167 CG2 VAL A 75 12.187 4.188 4.879 1.00 3.76 C ATOM 0 H VAL A 75 10.491 0.968 5.401 1.00 1.71 H new ATOM 0 HA VAL A 75 10.059 3.558 6.668 1.00 2.37 H new ATOM 0 HB VAL A 75 10.635 3.250 3.721 1.00 3.22 H new ATOM 0 HG11 VAL A 75 10.430 5.776 3.650 1.00 4.17 H new ATOM 0 HG12 VAL A 75 8.916 4.992 4.161 1.00 4.17 H new ATOM 0 HG13 VAL A 75 9.974 5.757 5.370 1.00 4.17 H new ATOM 0 HG21 VAL A 75 12.572 4.798 4.061 1.00 3.76 H new ATOM 0 HG22 VAL A 75 12.281 4.737 5.816 1.00 3.76 H new ATOM 0 HG23 VAL A 75 12.759 3.262 4.942 1.00 3.76 H new ATOM 1177 N GLU A 76 7.619 3.313 5.810 1.00 1.66 N ATOM 1178 CA GLU A 76 6.221 3.042 5.450 1.00 1.10 C ATOM 1179 C GLU A 76 5.678 3.969 4.361 1.00 1.15 C ATOM 1180 O GLU A 76 6.147 5.089 4.145 1.00 1.42 O ATOM 1181 CB GLU A 76 5.272 3.002 6.662 1.00 1.26 C ATOM 1182 CG GLU A 76 5.862 3.470 7.986 1.00 1.88 C ATOM 1183 CD GLU A 76 6.179 4.960 7.914 1.00 2.14 C ATOM 1184 OE1 GLU A 76 5.254 5.784 7.740 1.00 2.96 O ATOM 1185 OE2 GLU A 76 7.379 5.292 7.797 1.00 2.94 O ATOM 0 H GLU A 76 7.732 4.070 6.484 1.00 1.66 H new ATOM 0 HA GLU A 76 6.247 2.037 5.029 1.00 1.10 H new ATOM 0 HB2 GLU A 76 4.401 3.617 6.437 1.00 1.26 H new ATOM 0 HB3 GLU A 76 4.916 1.979 6.786 1.00 1.26 H new ATOM 0 HG2 GLU A 76 5.159 3.278 8.796 1.00 1.88 H new ATOM 0 HG3 GLU A 76 6.768 2.907 8.210 1.00 1.88 H new ATOM 1192 N LEU A 77 4.624 3.473 3.712 1.00 1.08 N ATOM 1193 CA LEU A 77 3.865 4.126 2.650 1.00 1.28 C ATOM 1194 C LEU A 77 3.096 5.386 3.104 1.00 1.83 C ATOM 1195 O LEU A 77 2.954 6.327 2.334 1.00 3.59 O ATOM 1196 CB LEU A 77 2.909 3.051 2.094 1.00 1.14 C ATOM 1197 CG LEU A 77 3.479 2.277 0.899 1.00 0.86 C ATOM 1198 CD1 LEU A 77 4.679 1.387 1.236 1.00 1.02 C ATOM 1199 CD2 LEU A 77 2.373 1.449 0.235 1.00 1.02 C ATOM 0 H LEU A 77 4.256 2.547 3.929 1.00 1.08 H new ATOM 0 HA LEU A 77 4.551 4.503 1.891 1.00 1.28 H new ATOM 0 HB2 LEU A 77 2.667 2.346 2.890 1.00 1.14 H new ATOM 0 HB3 LEU A 77 1.975 3.527 1.795 1.00 1.14 H new ATOM 0 HG LEU A 77 3.857 3.030 0.208 1.00 0.86 H new ATOM 0 HD11 LEU A 77 5.018 0.877 0.334 1.00 1.02 H new ATOM 0 HD12 LEU A 77 5.488 2.001 1.632 1.00 1.02 H new ATOM 0 HD13 LEU A 77 4.386 0.648 1.982 1.00 1.02 H new ATOM 0 HD21 LEU A 77 2.787 0.903 -0.613 1.00 1.02 H new ATOM 0 HD22 LEU A 77 1.964 0.743 0.957 1.00 1.02 H new ATOM 0 HD23 LEU A 77 1.581 2.112 -0.113 1.00 1.02 H new ATOM 1211 N LYS A 78 2.630 5.378 4.356 1.00 1.04 N ATOM 1212 CA LYS A 78 1.951 6.429 5.160 1.00 1.20 C ATOM 1213 C LYS A 78 0.422 6.224 5.166 1.00 1.14 C ATOM 1214 O LYS A 78 -0.149 6.188 4.079 1.00 1.18 O ATOM 1215 CB LYS A 78 2.209 7.897 4.718 1.00 1.55 C ATOM 1216 CG LYS A 78 3.647 8.403 4.542 1.00 1.46 C ATOM 1217 CD LYS A 78 4.629 7.774 5.540 1.00 2.02 C ATOM 1218 CE LYS A 78 6.086 8.182 5.318 1.00 2.55 C ATOM 1219 NZ LYS A 78 6.989 7.138 5.856 1.00 3.60 N ATOM 0 H LYS A 78 2.727 4.528 4.912 1.00 1.04 H new ATOM 0 HA LYS A 78 2.394 6.303 6.148 1.00 1.20 H new ATOM 0 HB2 LYS A 78 1.695 8.045 3.768 1.00 1.55 H new ATOM 0 HB3 LYS A 78 1.724 8.545 5.448 1.00 1.55 H new ATOM 0 HG2 LYS A 78 3.981 8.187 3.527 1.00 1.46 H new ATOM 0 HG3 LYS A 78 3.662 9.487 4.659 1.00 1.46 H new ATOM 0 HD2 LYS A 78 4.334 8.055 6.551 1.00 2.02 H new ATOM 0 HD3 LYS A 78 4.552 6.689 5.475 1.00 2.02 H new ATOM 0 HE2 LYS A 78 6.275 8.325 4.254 1.00 2.55 H new ATOM 0 HE3 LYS A 78 6.285 9.135 5.808 1.00 2.55 H new ATOM 0 HZ1 LYS A 78 7.978 7.429 5.717 1.00 3.60 H new ATOM 0 HZ2 LYS A 78 6.805 7.010 6.872 1.00 3.60 H new ATOM 0 HZ3 LYS A 78 6.819 6.241 5.357 1.00 3.60 H new ATOM 1233 N PRO A 79 -0.269 6.237 6.326 1.00 1.53 N ATOM 1234 CA PRO A 79 -1.722 6.034 6.412 1.00 1.96 C ATOM 1235 C PRO A 79 -2.586 7.125 5.753 1.00 1.93 C ATOM 1236 O PRO A 79 -3.802 6.967 5.702 1.00 3.01 O ATOM 1237 CB PRO A 79 -2.023 5.899 7.906 1.00 2.45 C ATOM 1238 CG PRO A 79 -0.904 6.692 8.575 1.00 2.17 C ATOM 1239 CD PRO A 79 0.288 6.413 7.663 1.00 1.94 C ATOM 0 HA PRO A 79 -1.992 5.147 5.839 1.00 1.96 H new ATOM 0 HB2 PRO A 79 -3.004 6.304 8.155 1.00 2.45 H new ATOM 0 HB3 PRO A 79 -2.019 4.856 8.222 1.00 2.45 H new ATOM 0 HG2 PRO A 79 -1.135 7.756 8.627 1.00 2.17 H new ATOM 0 HG3 PRO A 79 -0.722 6.355 9.596 1.00 2.17 H new ATOM 0 HD2 PRO A 79 0.999 7.239 7.685 1.00 1.94 H new ATOM 0 HD3 PRO A 79 0.826 5.521 7.984 1.00 1.94 H new ATOM 1247 N GLY A 80 -1.984 8.214 5.250 1.00 1.37 N ATOM 1248 CA GLY A 80 -2.650 9.185 4.374 1.00 1.73 C ATOM 1249 C GLY A 80 -2.012 9.360 2.990 1.00 1.80 C ATOM 1250 O GLY A 80 -2.637 9.995 2.150 1.00 2.89 O ATOM 0 H GLY A 80 -1.010 8.446 5.444 1.00 1.37 H new ATOM 0 HA2 GLY A 80 -3.688 8.879 4.242 1.00 1.73 H new ATOM 0 HA3 GLY A 80 -2.664 10.153 4.875 1.00 1.73 H new ATOM 1254 N GLY A 81 -0.800 8.840 2.740 1.00 1.10 N ATOM 1255 CA GLY A 81 -0.033 9.076 1.504 1.00 0.99 C ATOM 1256 C GLY A 81 -0.120 7.912 0.530 1.00 1.05 C ATOM 1257 O GLY A 81 -1.164 7.674 -0.073 1.00 1.87 O ATOM 0 H GLY A 81 -0.316 8.233 3.402 1.00 1.10 H new ATOM 0 HA2 GLY A 81 -0.402 9.979 1.019 1.00 0.99 H new ATOM 0 HA3 GLY A 81 1.012 9.255 1.758 1.00 0.99 H new ATOM 1261 N TYR A 82 0.984 7.192 0.342 1.00 0.60 N ATOM 1262 CA TYR A 82 1.053 6.110 -0.641 1.00 0.57 C ATOM 1263 C TYR A 82 0.268 4.896 -0.160 1.00 0.60 C ATOM 1264 O TYR A 82 0.163 4.638 1.035 1.00 0.69 O ATOM 1265 CB TYR A 82 2.498 5.693 -0.928 1.00 0.64 C ATOM 1266 CG TYR A 82 3.295 6.751 -1.645 1.00 0.61 C ATOM 1267 CD1 TYR A 82 3.149 6.884 -3.033 1.00 2.09 C ATOM 1268 CD2 TYR A 82 4.161 7.604 -0.935 1.00 1.80 C ATOM 1269 CE1 TYR A 82 3.892 7.850 -3.726 1.00 2.07 C ATOM 1270 CE2 TYR A 82 4.902 8.581 -1.628 1.00 1.85 C ATOM 1271 CZ TYR A 82 4.778 8.702 -3.031 1.00 0.68 C ATOM 1272 OH TYR A 82 5.506 9.631 -3.708 1.00 0.79 O ATOM 0 H TYR A 82 1.850 7.339 0.861 1.00 0.60 H new ATOM 0 HA TYR A 82 0.613 6.490 -1.563 1.00 0.57 H new ATOM 0 HB2 TYR A 82 2.992 5.452 0.013 1.00 0.64 H new ATOM 0 HB3 TYR A 82 2.493 4.783 -1.528 1.00 0.64 H new ATOM 0 HD1 TYR A 82 2.464 6.243 -3.568 1.00 2.09 H new ATOM 0 HD2 TYR A 82 4.257 7.510 0.137 1.00 1.80 H new ATOM 0 HE1 TYR A 82 3.786 7.943 -4.797 1.00 2.07 H new ATOM 0 HE2 TYR A 82 5.566 9.239 -1.087 1.00 1.85 H new ATOM 0 HH TYR A 82 6.063 10.133 -3.077 1.00 0.79 H new ATOM 1282 N HIS A 83 -0.351 4.177 -1.088 1.00 0.55 N ATOM 1283 CA HIS A 83 -1.172 3.019 -0.732 1.00 0.54 C ATOM 1284 C HIS A 83 -1.447 2.139 -1.945 1.00 0.54 C ATOM 1285 O HIS A 83 -1.529 2.635 -3.066 1.00 0.61 O ATOM 1286 CB HIS A 83 -2.466 3.451 -0.027 1.00 0.55 C ATOM 1287 CG HIS A 83 -3.315 4.366 -0.851 1.00 0.49 C ATOM 1288 ND1 HIS A 83 -3.123 5.719 -1.035 1.00 0.49 N ATOM 1289 CD2 HIS A 83 -4.326 3.972 -1.677 1.00 0.49 C ATOM 1290 CE1 HIS A 83 -3.978 6.126 -1.981 1.00 0.48 C ATOM 1291 NE2 HIS A 83 -4.746 5.096 -2.380 1.00 0.48 N ATOM 0 H HIS A 83 -0.303 4.371 -2.088 1.00 0.55 H new ATOM 0 HA HIS A 83 -0.607 2.414 -0.023 1.00 0.54 H new ATOM 0 HB2 HIS A 83 -3.045 2.564 0.230 1.00 0.55 H new ATOM 0 HB3 HIS A 83 -2.212 3.948 0.909 1.00 0.55 H new ATOM 0 HD1 HIS A 83 -2.451 6.304 -0.539 1.00 0.49 H new ATOM 0 HD2 HIS A 83 -4.726 2.973 -1.768 1.00 0.49 H new ATOM 0 HE1 HIS A 83 -4.042 7.133 -2.367 1.00 0.48 H new ATOM 1299 N PHE A 84 -1.675 0.850 -1.723 1.00 0.52 N ATOM 1300 CA PHE A 84 -2.263 -0.016 -2.730 1.00 0.55 C ATOM 1301 C PHE A 84 -3.761 0.195 -2.727 1.00 0.53 C ATOM 1302 O PHE A 84 -4.378 0.131 -1.672 1.00 0.61 O ATOM 1303 CB PHE A 84 -1.918 -1.471 -2.423 1.00 0.59 C ATOM 1304 CG PHE A 84 -0.432 -1.679 -2.485 1.00 0.59 C ATOM 1305 CD1 PHE A 84 0.189 -1.776 -3.741 1.00 1.41 C ATOM 1306 CD2 PHE A 84 0.335 -1.582 -1.313 1.00 1.66 C ATOM 1307 CE1 PHE A 84 1.585 -1.758 -3.825 1.00 1.41 C ATOM 1308 CE2 PHE A 84 1.732 -1.547 -1.404 1.00 1.79 C ATOM 1309 CZ PHE A 84 2.356 -1.625 -2.657 1.00 0.89 C ATOM 0 H PHE A 84 -1.458 0.380 -0.844 1.00 0.52 H new ATOM 0 HA PHE A 84 -1.867 0.223 -3.717 1.00 0.55 H new ATOM 0 HB2 PHE A 84 -2.288 -1.739 -1.433 1.00 0.59 H new ATOM 0 HB3 PHE A 84 -2.414 -2.128 -3.137 1.00 0.59 H new ATOM 0 HD1 PHE A 84 -0.408 -1.864 -4.637 1.00 1.41 H new ATOM 0 HD2 PHE A 84 -0.149 -1.535 -0.349 1.00 1.66 H new ATOM 0 HE1 PHE A 84 2.070 -1.846 -4.786 1.00 1.41 H new ATOM 0 HE2 PHE A 84 2.329 -1.460 -0.508 1.00 1.79 H new ATOM 0 HZ PHE A 84 3.433 -1.583 -2.725 1.00 0.89 H new ATOM 1319 N MET A 85 -4.364 0.387 -3.890 1.00 0.52 N ATOM 1320 CA MET A 85 -5.784 0.125 -4.108 1.00 0.52 C ATOM 1321 C MET A 85 -5.921 -1.362 -4.430 1.00 0.45 C ATOM 1322 O MET A 85 -5.200 -1.865 -5.291 1.00 0.46 O ATOM 1323 CB MET A 85 -6.334 0.990 -5.246 1.00 0.62 C ATOM 1324 CG MET A 85 -7.678 1.630 -4.867 1.00 0.74 C ATOM 1325 SD MET A 85 -7.589 2.965 -3.626 1.00 0.57 S ATOM 1326 CE MET A 85 -9.329 3.025 -3.096 1.00 0.62 C ATOM 0 H MET A 85 -3.880 0.732 -4.719 1.00 0.52 H new ATOM 0 HA MET A 85 -6.362 0.378 -3.219 1.00 0.52 H new ATOM 0 HB2 MET A 85 -5.614 1.771 -5.491 1.00 0.62 H new ATOM 0 HB3 MET A 85 -6.460 0.380 -6.140 1.00 0.62 H new ATOM 0 HG2 MET A 85 -8.139 2.028 -5.771 1.00 0.74 H new ATOM 0 HG3 MET A 85 -8.339 0.850 -4.489 1.00 0.74 H new ATOM 0 HE1 MET A 85 -9.451 3.794 -2.334 1.00 0.62 H new ATOM 0 HE2 MET A 85 -9.962 3.259 -3.952 1.00 0.62 H new ATOM 0 HE3 MET A 85 -9.618 2.058 -2.685 1.00 0.62 H new ATOM 1336 N LEU A 86 -6.825 -2.049 -3.739 1.00 0.46 N ATOM 1337 CA LEU A 86 -7.147 -3.452 -3.983 1.00 0.44 C ATOM 1338 C LEU A 86 -8.524 -3.515 -4.641 1.00 0.47 C ATOM 1339 O LEU A 86 -9.472 -2.895 -4.154 1.00 0.55 O ATOM 1340 CB LEU A 86 -7.164 -4.245 -2.668 1.00 0.47 C ATOM 1341 CG LEU A 86 -5.806 -4.612 -2.030 1.00 0.46 C ATOM 1342 CD1 LEU A 86 -4.939 -3.402 -1.650 1.00 0.50 C ATOM 1343 CD2 LEU A 86 -6.091 -5.420 -0.755 1.00 0.55 C ATOM 0 H LEU A 86 -7.366 -1.638 -2.978 1.00 0.46 H new ATOM 0 HA LEU A 86 -6.390 -3.893 -4.631 1.00 0.44 H new ATOM 0 HB2 LEU A 86 -7.733 -3.670 -1.937 1.00 0.47 H new ATOM 0 HB3 LEU A 86 -7.713 -5.170 -2.842 1.00 0.47 H new ATOM 0 HG LEU A 86 -5.244 -5.173 -2.777 1.00 0.46 H new ATOM 0 HD11 LEU A 86 -4.004 -3.748 -1.209 1.00 0.50 H new ATOM 0 HD12 LEU A 86 -4.723 -2.814 -2.542 1.00 0.50 H new ATOM 0 HD13 LEU A 86 -5.473 -2.784 -0.929 1.00 0.50 H new ATOM 0 HD21 LEU A 86 -5.149 -5.695 -0.280 1.00 0.55 H new ATOM 0 HD22 LEU A 86 -6.682 -4.816 -0.066 1.00 0.55 H new ATOM 0 HD23 LEU A 86 -6.644 -6.323 -1.013 1.00 0.55 H new ATOM 1355 N LEU A 87 -8.634 -4.269 -5.734 1.00 0.45 N ATOM 1356 CA LEU A 87 -9.878 -4.510 -6.462 1.00 0.53 C ATOM 1357 C LEU A 87 -10.065 -6.013 -6.705 1.00 0.54 C ATOM 1358 O LEU A 87 -9.103 -6.764 -6.894 1.00 0.58 O ATOM 1359 CB LEU A 87 -9.886 -3.743 -7.801 1.00 0.69 C ATOM 1360 CG LEU A 87 -9.939 -2.202 -7.698 1.00 0.86 C ATOM 1361 CD1 LEU A 87 -8.552 -1.546 -7.576 1.00 1.41 C ATOM 1362 CD2 LEU A 87 -10.613 -1.642 -8.958 1.00 1.52 C ATOM 0 H LEU A 87 -7.833 -4.744 -6.150 1.00 0.45 H new ATOM 0 HA LEU A 87 -10.708 -4.146 -5.857 1.00 0.53 H new ATOM 0 HB2 LEU A 87 -8.993 -4.019 -8.361 1.00 0.69 H new ATOM 0 HB3 LEU A 87 -10.744 -4.078 -8.384 1.00 0.69 H new ATOM 0 HG LEU A 87 -10.496 -1.971 -6.790 1.00 0.86 H new ATOM 0 HD11 LEU A 87 -8.666 -0.464 -7.508 1.00 1.41 H new ATOM 0 HD12 LEU A 87 -8.052 -1.915 -6.680 1.00 1.41 H new ATOM 0 HD13 LEU A 87 -7.954 -1.793 -8.453 1.00 1.41 H new ATOM 0 HD21 LEU A 87 -10.655 -0.555 -8.895 1.00 1.52 H new ATOM 0 HD22 LEU A 87 -10.039 -1.933 -9.838 1.00 1.52 H new ATOM 0 HD23 LEU A 87 -11.624 -2.041 -9.037 1.00 1.52 H new ATOM 1374 N GLY A 88 -11.319 -6.472 -6.685 1.00 0.62 N ATOM 1375 CA GLY A 88 -11.636 -7.900 -6.821 1.00 0.77 C ATOM 1376 C GLY A 88 -11.139 -8.701 -5.618 1.00 0.83 C ATOM 1377 O GLY A 88 -10.551 -9.767 -5.787 1.00 1.08 O ATOM 0 H GLY A 88 -12.137 -5.873 -6.575 1.00 0.62 H new ATOM 0 HA2 GLY A 88 -12.714 -8.026 -6.923 1.00 0.77 H new ATOM 0 HA3 GLY A 88 -11.181 -8.290 -7.732 1.00 0.77 H new ATOM 1381 N LEU A 89 -11.298 -8.146 -4.410 1.00 0.76 N ATOM 1382 CA LEU A 89 -10.975 -8.811 -3.151 1.00 0.87 C ATOM 1383 C LEU A 89 -11.715 -10.124 -2.946 1.00 0.94 C ATOM 1384 O LEU A 89 -12.860 -10.311 -3.339 1.00 1.12 O ATOM 1385 CB LEU A 89 -11.085 -7.883 -1.928 1.00 1.02 C ATOM 1386 CG LEU A 89 -12.297 -6.928 -1.829 1.00 0.95 C ATOM 1387 CD1 LEU A 89 -13.639 -7.675 -1.811 1.00 1.33 C ATOM 1388 CD2 LEU A 89 -12.149 -6.055 -0.576 1.00 1.24 C ATOM 0 H LEU A 89 -11.663 -7.202 -4.283 1.00 0.76 H new ATOM 0 HA LEU A 89 -9.921 -9.075 -3.242 1.00 0.87 H new ATOM 0 HB2 LEU A 89 -11.084 -8.510 -1.036 1.00 1.02 H new ATOM 0 HB3 LEU A 89 -10.181 -7.275 -1.892 1.00 1.02 H new ATOM 0 HG LEU A 89 -12.305 -6.303 -2.722 1.00 0.95 H new ATOM 0 HD11 LEU A 89 -14.455 -6.956 -1.740 1.00 1.33 H new ATOM 0 HD12 LEU A 89 -13.745 -8.255 -2.728 1.00 1.33 H new ATOM 0 HD13 LEU A 89 -13.671 -8.345 -0.952 1.00 1.33 H new ATOM 0 HD21 LEU A 89 -13.001 -5.379 -0.501 1.00 1.24 H new ATOM 0 HD22 LEU A 89 -12.111 -6.691 0.308 1.00 1.24 H new ATOM 0 HD23 LEU A 89 -11.230 -5.474 -0.644 1.00 1.24 H new ATOM 1400 N LYS A 90 -11.010 -11.040 -2.291 1.00 1.03 N ATOM 1401 CA LYS A 90 -11.485 -12.426 -2.133 1.00 1.07 C ATOM 1402 C LYS A 90 -12.077 -12.690 -0.727 1.00 1.20 C ATOM 1403 O LYS A 90 -12.700 -13.722 -0.486 1.00 1.27 O ATOM 1404 CB LYS A 90 -10.416 -13.398 -2.634 1.00 0.94 C ATOM 1405 CG LYS A 90 -10.256 -13.211 -4.171 1.00 0.77 C ATOM 1406 CD LYS A 90 -8.793 -13.272 -4.570 1.00 2.39 C ATOM 1407 CE LYS A 90 -8.591 -12.943 -6.061 1.00 1.92 C ATOM 1408 NZ LYS A 90 -7.213 -13.214 -6.532 1.00 3.74 N ATOM 0 H LYS A 90 -10.105 -10.856 -1.857 1.00 1.03 H new ATOM 0 HA LYS A 90 -12.349 -12.608 -2.773 1.00 1.07 H new ATOM 0 HB2 LYS A 90 -9.468 -13.211 -2.129 1.00 0.94 H new ATOM 0 HB3 LYS A 90 -10.701 -14.425 -2.405 1.00 0.94 H new ATOM 0 HG2 LYS A 90 -10.814 -13.986 -4.697 1.00 0.77 H new ATOM 0 HG3 LYS A 90 -10.680 -12.253 -4.472 1.00 0.77 H new ATOM 0 HD2 LYS A 90 -8.221 -12.570 -3.963 1.00 2.39 H new ATOM 0 HD3 LYS A 90 -8.401 -14.267 -4.361 1.00 2.39 H new ATOM 0 HE2 LYS A 90 -9.294 -13.528 -6.655 1.00 1.92 H new ATOM 0 HE3 LYS A 90 -8.827 -11.893 -6.231 1.00 1.92 H new ATOM 0 HZ1 LYS A 90 -7.248 -13.648 -7.476 1.00 3.74 H new ATOM 0 HZ2 LYS A 90 -6.681 -12.322 -6.581 1.00 3.74 H new ATOM 0 HZ3 LYS A 90 -6.741 -13.862 -5.870 1.00 3.74 H new ATOM 1422 N ARG A 91 -11.951 -11.702 0.176 1.00 1.27 N ATOM 1423 CA ARG A 91 -12.826 -11.480 1.334 1.00 1.31 C ATOM 1424 C ARG A 91 -13.209 -9.984 1.388 1.00 1.37 C ATOM 1425 O ARG A 91 -12.314 -9.166 1.172 1.00 1.49 O ATOM 1426 CB ARG A 91 -12.122 -11.942 2.633 1.00 1.40 C ATOM 1427 CG ARG A 91 -11.069 -10.970 3.213 1.00 3.12 C ATOM 1428 CD ARG A 91 -10.178 -11.589 4.301 1.00 3.73 C ATOM 1429 NE ARG A 91 -10.938 -12.009 5.494 1.00 4.21 N ATOM 1430 CZ ARG A 91 -10.767 -13.137 6.181 1.00 4.49 C ATOM 1431 NH1 ARG A 91 -9.815 -14.000 5.893 1.00 4.66 N ATOM 1432 NH2 ARG A 91 -11.559 -13.427 7.187 1.00 5.27 N ATOM 0 H ARG A 91 -11.205 -11.009 0.114 1.00 1.27 H new ATOM 0 HA ARG A 91 -13.738 -12.069 1.237 1.00 1.31 H new ATOM 0 HB2 ARG A 91 -12.883 -12.118 3.393 1.00 1.40 H new ATOM 0 HB3 ARG A 91 -11.637 -12.899 2.440 1.00 1.40 H new ATOM 0 HG2 ARG A 91 -10.437 -10.610 2.402 1.00 3.12 H new ATOM 0 HG3 ARG A 91 -11.581 -10.102 3.628 1.00 3.12 H new ATOM 0 HD2 ARG A 91 -9.654 -12.451 3.888 1.00 3.73 H new ATOM 0 HD3 ARG A 91 -9.418 -10.866 4.596 1.00 3.73 H new ATOM 0 HE ARG A 91 -11.665 -11.374 5.824 1.00 4.21 H new ATOM 0 HH11 ARG A 91 -9.176 -13.815 5.120 1.00 4.66 H new ATOM 0 HH12 ARG A 91 -9.717 -14.853 6.443 1.00 4.66 H new ATOM 0 HH21 ARG A 91 -12.310 -12.787 7.446 1.00 5.27 H new ATOM 0 HH22 ARG A 91 -11.424 -14.292 7.710 1.00 5.27 H new ATOM 1446 N PRO A 92 -14.464 -9.607 1.698 1.00 1.53 N ATOM 1447 CA PRO A 92 -14.747 -8.281 2.234 1.00 1.70 C ATOM 1448 C PRO A 92 -14.039 -8.177 3.589 1.00 1.57 C ATOM 1449 O PRO A 92 -13.938 -9.167 4.312 1.00 1.72 O ATOM 1450 CB PRO A 92 -16.269 -8.181 2.337 1.00 2.07 C ATOM 1451 CG PRO A 92 -16.710 -9.636 2.511 1.00 2.08 C ATOM 1452 CD PRO A 92 -15.655 -10.441 1.749 1.00 1.76 C ATOM 0 HA PRO A 92 -14.387 -7.459 1.615 1.00 1.70 H new ATOM 0 HB2 PRO A 92 -16.575 -7.565 3.183 1.00 2.07 H new ATOM 0 HB3 PRO A 92 -16.704 -7.734 1.443 1.00 2.07 H new ATOM 0 HG2 PRO A 92 -16.744 -9.919 3.563 1.00 2.08 H new ATOM 0 HG3 PRO A 92 -17.708 -9.801 2.104 1.00 2.08 H new ATOM 0 HD2 PRO A 92 -15.447 -11.385 2.253 1.00 1.76 H new ATOM 0 HD3 PRO A 92 -16.002 -10.685 0.745 1.00 1.76 H new ATOM 1460 N LEU A 93 -13.500 -7.003 3.905 1.00 1.63 N ATOM 1461 CA LEU A 93 -12.430 -6.793 4.877 1.00 1.65 C ATOM 1462 C LEU A 93 -13.001 -6.196 6.160 1.00 1.63 C ATOM 1463 O LEU A 93 -13.214 -4.984 6.265 1.00 2.23 O ATOM 1464 CB LEU A 93 -11.384 -5.871 4.222 1.00 1.84 C ATOM 1465 CG LEU A 93 -10.596 -6.547 3.082 1.00 1.60 C ATOM 1466 CD1 LEU A 93 -9.958 -5.473 2.199 1.00 2.41 C ATOM 1467 CD2 LEU A 93 -9.511 -7.470 3.644 1.00 2.46 C ATOM 0 H LEU A 93 -13.810 -6.133 3.472 1.00 1.63 H new ATOM 0 HA LEU A 93 -11.954 -7.734 5.155 1.00 1.65 H new ATOM 0 HB2 LEU A 93 -11.886 -4.986 3.831 1.00 1.84 H new ATOM 0 HB3 LEU A 93 -10.684 -5.530 4.984 1.00 1.84 H new ATOM 0 HG LEU A 93 -11.284 -7.149 2.489 1.00 1.60 H new ATOM 0 HD11 LEU A 93 -9.400 -5.949 1.392 1.00 2.41 H new ATOM 0 HD12 LEU A 93 -10.738 -4.839 1.776 1.00 2.41 H new ATOM 0 HD13 LEU A 93 -9.281 -4.864 2.798 1.00 2.41 H new ATOM 0 HD21 LEU A 93 -8.968 -7.936 2.822 1.00 2.46 H new ATOM 0 HD22 LEU A 93 -8.819 -6.889 4.253 1.00 2.46 H new ATOM 0 HD23 LEU A 93 -9.973 -8.243 4.258 1.00 2.46 H new ATOM 1479 N LYS A 94 -13.283 -7.063 7.134 1.00 1.22 N ATOM 1480 CA LYS A 94 -13.788 -6.686 8.445 1.00 1.28 C ATOM 1481 C LYS A 94 -12.662 -6.190 9.352 1.00 1.28 C ATOM 1482 O LYS A 94 -11.615 -6.815 9.473 1.00 1.74 O ATOM 1483 CB LYS A 94 -14.513 -7.881 9.078 1.00 1.56 C ATOM 1484 CG LYS A 94 -15.986 -7.980 8.692 1.00 1.67 C ATOM 1485 CD LYS A 94 -16.351 -8.018 7.203 1.00 2.86 C ATOM 1486 CE LYS A 94 -16.433 -9.438 6.616 1.00 3.65 C ATOM 1487 NZ LYS A 94 -15.130 -10.146 6.565 1.00 3.94 N ATOM 0 H LYS A 94 -13.162 -8.070 7.025 1.00 1.22 H new ATOM 0 HA LYS A 94 -14.493 -5.863 8.324 1.00 1.28 H new ATOM 0 HB2 LYS A 94 -14.007 -8.800 8.782 1.00 1.56 H new ATOM 0 HB3 LYS A 94 -14.435 -7.809 10.163 1.00 1.56 H new ATOM 0 HG2 LYS A 94 -16.390 -8.880 9.156 1.00 1.67 H new ATOM 0 HG3 LYS A 94 -16.504 -7.131 9.139 1.00 1.67 H new ATOM 0 HD2 LYS A 94 -17.311 -7.521 7.062 1.00 2.86 H new ATOM 0 HD3 LYS A 94 -15.611 -7.446 6.643 1.00 2.86 H new ATOM 0 HE2 LYS A 94 -17.131 -10.026 7.211 1.00 3.65 H new ATOM 0 HE3 LYS A 94 -16.843 -9.380 5.608 1.00 3.65 H new ATOM 0 HZ1 LYS A 94 -15.256 -11.074 6.112 1.00 3.94 H new ATOM 0 HZ2 LYS A 94 -14.450 -9.582 6.016 1.00 3.94 H new ATOM 0 HZ3 LYS A 94 -14.769 -10.279 7.531 1.00 3.94 H new ATOM 1501 N ALA A 95 -12.937 -5.094 10.042 1.00 1.15 N ATOM 1502 CA ALA A 95 -12.048 -4.477 11.019 1.00 1.19 C ATOM 1503 C ALA A 95 -11.770 -5.444 12.177 1.00 1.24 C ATOM 1504 O ALA A 95 -12.653 -5.710 12.983 1.00 1.65 O ATOM 1505 CB ALA A 95 -12.711 -3.188 11.489 1.00 1.35 C ATOM 0 H ALA A 95 -13.817 -4.590 9.934 1.00 1.15 H new ATOM 0 HA ALA A 95 -11.079 -4.244 10.578 1.00 1.19 H new ATOM 0 HB1 ALA A 95 -12.072 -2.697 12.223 1.00 1.35 H new ATOM 0 HB2 ALA A 95 -12.861 -2.524 10.637 1.00 1.35 H new ATOM 0 HB3 ALA A 95 -13.675 -3.419 11.943 1.00 1.35 H new ATOM 1511 N GLY A 96 -10.557 -5.996 12.203 1.00 1.09 N ATOM 1512 CA GLY A 96 -10.125 -7.085 13.091 1.00 1.11 C ATOM 1513 C GLY A 96 -9.742 -8.391 12.379 1.00 1.16 C ATOM 1514 O GLY A 96 -9.372 -9.344 13.054 1.00 1.60 O ATOM 0 H GLY A 96 -9.812 -5.685 11.579 1.00 1.09 H new ATOM 0 HA2 GLY A 96 -9.269 -6.742 13.672 1.00 1.11 H new ATOM 0 HA3 GLY A 96 -10.927 -7.296 13.798 1.00 1.11 H new ATOM 1518 N GLU A 97 -9.823 -8.454 11.043 1.00 0.92 N ATOM 1519 CA GLU A 97 -9.284 -9.559 10.232 1.00 0.88 C ATOM 1520 C GLU A 97 -7.775 -9.421 9.987 1.00 0.81 C ATOM 1521 O GLU A 97 -7.133 -8.486 10.457 1.00 0.82 O ATOM 1522 CB GLU A 97 -10.037 -9.664 8.895 1.00 0.87 C ATOM 1523 CG GLU A 97 -11.452 -10.186 9.139 1.00 1.12 C ATOM 1524 CD GLU A 97 -12.280 -10.411 7.881 1.00 1.05 C ATOM 1525 OE1 GLU A 97 -12.139 -9.721 6.852 1.00 2.21 O ATOM 1526 OE2 GLU A 97 -13.146 -11.314 7.898 1.00 1.88 O ATOM 0 H GLU A 97 -10.272 -7.728 10.485 1.00 0.92 H new ATOM 0 HA GLU A 97 -9.436 -10.477 10.801 1.00 0.88 H new ATOM 0 HB2 GLU A 97 -10.078 -8.688 8.412 1.00 0.87 H new ATOM 0 HB3 GLU A 97 -9.504 -10.332 8.218 1.00 0.87 H new ATOM 0 HG2 GLU A 97 -11.387 -11.126 9.686 1.00 1.12 H new ATOM 0 HG3 GLU A 97 -11.978 -9.479 9.781 1.00 1.12 H new ATOM 1533 N GLU A 98 -7.234 -10.346 9.198 1.00 0.82 N ATOM 1534 CA GLU A 98 -5.841 -10.634 8.943 1.00 0.87 C ATOM 1535 C GLU A 98 -5.740 -10.980 7.450 1.00 0.81 C ATOM 1536 O GLU A 98 -6.627 -11.613 6.866 1.00 1.00 O ATOM 1537 CB GLU A 98 -5.361 -11.814 9.806 1.00 1.19 C ATOM 1538 CG GLU A 98 -5.314 -11.480 11.309 1.00 1.94 C ATOM 1539 CD GLU A 98 -4.903 -12.678 12.175 1.00 2.48 C ATOM 1540 OE1 GLU A 98 -4.379 -13.664 11.609 1.00 2.99 O ATOM 1541 OE2 GLU A 98 -5.130 -12.596 13.401 1.00 3.31 O ATOM 0 H GLU A 98 -7.835 -10.977 8.668 1.00 0.82 H new ATOM 0 HA GLU A 98 -5.211 -9.781 9.195 1.00 0.87 H new ATOM 0 HB2 GLU A 98 -6.024 -12.665 9.649 1.00 1.19 H new ATOM 0 HB3 GLU A 98 -4.368 -12.118 9.476 1.00 1.19 H new ATOM 0 HG2 GLU A 98 -4.612 -10.662 11.472 1.00 1.94 H new ATOM 0 HG3 GLU A 98 -6.295 -11.127 11.628 1.00 1.94 H new ATOM 1548 N VAL A 99 -4.679 -10.464 6.850 1.00 0.79 N ATOM 1549 CA VAL A 99 -4.389 -10.369 5.414 1.00 0.77 C ATOM 1550 C VAL A 99 -2.860 -10.405 5.212 1.00 0.80 C ATOM 1551 O VAL A 99 -2.103 -10.076 6.123 1.00 1.27 O ATOM 1552 CB VAL A 99 -5.006 -9.058 4.843 1.00 0.95 C ATOM 1553 CG1 VAL A 99 -4.598 -8.784 3.385 1.00 1.20 C ATOM 1554 CG2 VAL A 99 -6.549 -9.068 4.929 1.00 1.03 C ATOM 0 H VAL A 99 -3.922 -10.061 7.403 1.00 0.79 H new ATOM 0 HA VAL A 99 -4.832 -11.209 4.879 1.00 0.77 H new ATOM 0 HB VAL A 99 -4.605 -8.260 5.468 1.00 0.95 H new ATOM 0 HG11 VAL A 99 -5.060 -7.857 3.046 1.00 1.20 H new ATOM 0 HG12 VAL A 99 -3.514 -8.693 3.322 1.00 1.20 H new ATOM 0 HG13 VAL A 99 -4.931 -9.608 2.753 1.00 1.20 H new ATOM 0 HG21 VAL A 99 -6.942 -8.137 4.521 1.00 1.03 H new ATOM 0 HG22 VAL A 99 -6.940 -9.909 4.356 1.00 1.03 H new ATOM 0 HG23 VAL A 99 -6.855 -9.165 5.971 1.00 1.03 H new ATOM 1564 N GLU A 100 -2.397 -10.776 4.016 1.00 0.92 N ATOM 1565 CA GLU A 100 -1.017 -10.538 3.571 1.00 1.07 C ATOM 1566 C GLU A 100 -1.002 -9.739 2.266 1.00 0.95 C ATOM 1567 O GLU A 100 -1.940 -9.827 1.469 1.00 0.84 O ATOM 1568 CB GLU A 100 -0.253 -11.852 3.344 1.00 1.41 C ATOM 1569 CG GLU A 100 0.124 -12.560 4.646 1.00 2.38 C ATOM 1570 CD GLU A 100 1.215 -13.596 4.384 1.00 2.89 C ATOM 1571 OE1 GLU A 100 0.902 -14.761 4.055 1.00 2.69 O ATOM 1572 OE2 GLU A 100 2.416 -13.242 4.446 1.00 4.11 O ATOM 0 H GLU A 100 -2.972 -11.254 3.322 1.00 0.92 H new ATOM 0 HA GLU A 100 -0.525 -9.975 4.364 1.00 1.07 H new ATOM 0 HB2 GLU A 100 -0.864 -12.521 2.738 1.00 1.41 H new ATOM 0 HB3 GLU A 100 0.653 -11.645 2.775 1.00 1.41 H new ATOM 0 HG2 GLU A 100 0.472 -11.831 5.378 1.00 2.38 H new ATOM 0 HG3 GLU A 100 -0.754 -13.045 5.072 1.00 2.38 H new ATOM 1579 N LEU A 101 0.097 -9.015 2.030 1.00 1.05 N ATOM 1580 CA LEU A 101 0.496 -8.517 0.713 1.00 0.95 C ATOM 1581 C LEU A 101 1.879 -9.070 0.355 1.00 0.90 C ATOM 1582 O LEU A 101 2.816 -9.042 1.158 1.00 1.11 O ATOM 1583 CB LEU A 101 0.508 -6.970 0.640 1.00 1.10 C ATOM 1584 CG LEU A 101 -0.754 -6.343 0.009 1.00 1.17 C ATOM 1585 CD1 LEU A 101 -1.981 -6.356 0.927 1.00 1.52 C ATOM 1586 CD2 LEU A 101 -0.475 -4.887 -0.388 1.00 1.91 C ATOM 0 H LEU A 101 0.749 -8.753 2.770 1.00 1.05 H new ATOM 0 HA LEU A 101 -0.246 -8.863 -0.007 1.00 0.95 H new ATOM 0 HB2 LEU A 101 0.629 -6.573 1.648 1.00 1.10 H new ATOM 0 HB3 LEU A 101 1.379 -6.654 0.067 1.00 1.10 H new ATOM 0 HG LEU A 101 -0.984 -6.962 -0.859 1.00 1.17 H new ATOM 0 HD11 LEU A 101 -2.826 -5.899 0.412 1.00 1.52 H new ATOM 0 HD12 LEU A 101 -2.229 -7.385 1.188 1.00 1.52 H new ATOM 0 HD13 LEU A 101 -1.762 -5.794 1.835 1.00 1.52 H new ATOM 0 HD21 LEU A 101 -1.371 -4.453 -0.832 1.00 1.91 H new ATOM 0 HD22 LEU A 101 -0.196 -4.316 0.497 1.00 1.91 H new ATOM 0 HD23 LEU A 101 0.340 -4.857 -1.111 1.00 1.91 H new ATOM 1598 N ASP A 102 1.982 -9.512 -0.890 1.00 0.70 N ATOM 1599 CA ASP A 102 3.201 -9.843 -1.613 1.00 0.70 C ATOM 1600 C ASP A 102 3.722 -8.583 -2.330 1.00 0.76 C ATOM 1601 O ASP A 102 2.941 -7.787 -2.849 1.00 0.84 O ATOM 1602 CB ASP A 102 2.904 -10.955 -2.635 1.00 0.70 C ATOM 1603 CG ASP A 102 1.977 -12.075 -2.137 1.00 1.27 C ATOM 1604 OD1 ASP A 102 2.455 -12.966 -1.400 1.00 1.82 O ATOM 1605 OD2 ASP A 102 0.791 -12.046 -2.546 1.00 2.37 O ATOM 0 H ASP A 102 1.152 -9.660 -1.464 1.00 0.70 H new ATOM 0 HA ASP A 102 3.962 -10.198 -0.918 1.00 0.70 H new ATOM 0 HB2 ASP A 102 2.457 -10.502 -3.520 1.00 0.70 H new ATOM 0 HB3 ASP A 102 3.849 -11.400 -2.948 1.00 0.70 H new ATOM 1610 N LEU A 103 5.035 -8.367 -2.352 1.00 0.86 N ATOM 1611 CA LEU A 103 5.704 -7.169 -2.848 1.00 0.82 C ATOM 1612 C LEU A 103 6.495 -7.497 -4.123 1.00 0.88 C ATOM 1613 O LEU A 103 7.432 -8.296 -4.089 1.00 1.04 O ATOM 1614 CB LEU A 103 6.645 -6.656 -1.740 1.00 0.87 C ATOM 1615 CG LEU A 103 5.953 -5.989 -0.532 1.00 0.89 C ATOM 1616 CD1 LEU A 103 5.053 -6.882 0.331 1.00 0.94 C ATOM 1617 CD2 LEU A 103 7.038 -5.410 0.381 1.00 1.14 C ATOM 0 H LEU A 103 5.696 -9.062 -2.005 1.00 0.86 H new ATOM 0 HA LEU A 103 4.973 -6.400 -3.098 1.00 0.82 H new ATOM 0 HB2 LEU A 103 7.241 -7.494 -1.377 1.00 0.87 H new ATOM 0 HB3 LEU A 103 7.338 -5.939 -2.180 1.00 0.87 H new ATOM 0 HG LEU A 103 5.288 -5.246 -0.971 1.00 0.89 H new ATOM 0 HD11 LEU A 103 4.629 -6.293 1.144 1.00 0.94 H new ATOM 0 HD12 LEU A 103 4.248 -7.288 -0.282 1.00 0.94 H new ATOM 0 HD13 LEU A 103 5.642 -7.701 0.745 1.00 0.94 H new ATOM 0 HD21 LEU A 103 6.572 -4.933 1.243 1.00 1.14 H new ATOM 0 HD22 LEU A 103 7.694 -6.212 0.721 1.00 1.14 H new ATOM 0 HD23 LEU A 103 7.622 -4.673 -0.170 1.00 1.14 H new ATOM 1629 N LEU A 104 6.149 -6.847 -5.240 1.00 0.84 N ATOM 1630 CA LEU A 104 6.814 -7.012 -6.536 1.00 0.92 C ATOM 1631 C LEU A 104 7.961 -6.001 -6.658 1.00 0.85 C ATOM 1632 O LEU A 104 7.750 -4.798 -6.859 1.00 0.84 O ATOM 1633 CB LEU A 104 5.782 -6.872 -7.677 1.00 0.94 C ATOM 1634 CG LEU A 104 4.615 -7.882 -7.643 1.00 1.00 C ATOM 1635 CD1 LEU A 104 3.731 -7.700 -8.885 1.00 1.04 C ATOM 1636 CD2 LEU A 104 5.084 -9.344 -7.575 1.00 1.13 C ATOM 0 H LEU A 104 5.381 -6.176 -5.268 1.00 0.84 H new ATOM 0 HA LEU A 104 7.247 -8.010 -6.612 1.00 0.92 H new ATOM 0 HB2 LEU A 104 5.368 -5.864 -7.648 1.00 0.94 H new ATOM 0 HB3 LEU A 104 6.302 -6.976 -8.629 1.00 0.94 H new ATOM 0 HG LEU A 104 4.053 -7.675 -6.732 1.00 1.00 H new ATOM 0 HD11 LEU A 104 2.909 -8.416 -8.855 1.00 1.04 H new ATOM 0 HD12 LEU A 104 3.329 -6.687 -8.900 1.00 1.04 H new ATOM 0 HD13 LEU A 104 4.326 -7.868 -9.783 1.00 1.04 H new ATOM 0 HD21 LEU A 104 4.217 -10.004 -7.554 1.00 1.13 H new ATOM 0 HD22 LEU A 104 5.692 -9.572 -8.450 1.00 1.13 H new ATOM 0 HD23 LEU A 104 5.677 -9.494 -6.673 1.00 1.13 H new ATOM 1648 N PHE A 105 9.186 -6.500 -6.521 1.00 0.83 N ATOM 1649 CA PHE A 105 10.417 -5.723 -6.573 1.00 0.79 C ATOM 1650 C PHE A 105 11.085 -5.839 -7.953 1.00 0.89 C ATOM 1651 O PHE A 105 11.055 -6.889 -8.601 1.00 1.21 O ATOM 1652 CB PHE A 105 11.331 -6.182 -5.434 1.00 0.86 C ATOM 1653 CG PHE A 105 10.865 -5.773 -4.048 1.00 0.81 C ATOM 1654 CD1 PHE A 105 10.876 -4.416 -3.673 1.00 1.97 C ATOM 1655 CD2 PHE A 105 10.461 -6.744 -3.111 1.00 1.89 C ATOM 1656 CE1 PHE A 105 10.525 -4.029 -2.369 1.00 2.01 C ATOM 1657 CE2 PHE A 105 10.123 -6.359 -1.803 1.00 1.87 C ATOM 1658 CZ PHE A 105 10.170 -5.006 -1.426 1.00 0.85 C ATOM 0 H PHE A 105 9.353 -7.494 -6.365 1.00 0.83 H new ATOM 0 HA PHE A 105 10.200 -4.664 -6.436 1.00 0.79 H new ATOM 0 HB2 PHE A 105 11.416 -7.268 -5.469 1.00 0.86 H new ATOM 0 HB3 PHE A 105 12.330 -5.778 -5.601 1.00 0.86 H new ATOM 0 HD1 PHE A 105 11.157 -3.664 -4.396 1.00 1.97 H new ATOM 0 HD2 PHE A 105 10.411 -7.784 -3.398 1.00 1.89 H new ATOM 0 HE1 PHE A 105 10.528 -2.985 -2.093 1.00 2.01 H new ATOM 0 HE2 PHE A 105 9.825 -7.107 -1.083 1.00 1.87 H new ATOM 0 HZ PHE A 105 9.933 -4.718 -0.412 1.00 0.85 H new ATOM 1668 N ALA A 106 11.695 -4.739 -8.407 1.00 0.76 N ATOM 1669 CA ALA A 106 12.174 -4.562 -9.777 1.00 0.98 C ATOM 1670 C ALA A 106 13.080 -5.706 -10.279 1.00 1.37 C ATOM 1671 O ALA A 106 14.126 -6.019 -9.699 1.00 1.70 O ATOM 1672 CB ALA A 106 12.865 -3.199 -9.887 1.00 1.36 C ATOM 0 H ALA A 106 11.873 -3.928 -7.815 1.00 0.76 H new ATOM 0 HA ALA A 106 11.307 -4.595 -10.436 1.00 0.98 H new ATOM 0 HB1 ALA A 106 13.227 -3.056 -10.905 1.00 1.36 H new ATOM 0 HB2 ALA A 106 12.155 -2.410 -9.640 1.00 1.36 H new ATOM 0 HB3 ALA A 106 13.706 -3.160 -9.194 1.00 1.36 H new ATOM 1678 N GLY A 107 12.671 -6.310 -11.401 1.00 2.03 N ATOM 1679 CA GLY A 107 13.408 -7.370 -12.097 1.00 2.76 C ATOM 1680 C GLY A 107 13.392 -8.697 -11.341 1.00 2.43 C ATOM 1681 O GLY A 107 14.419 -9.092 -10.793 1.00 3.09 O ATOM 0 H GLY A 107 11.794 -6.068 -11.862 1.00 2.03 H new ATOM 0 HA2 GLY A 107 12.977 -7.516 -13.087 1.00 2.76 H new ATOM 0 HA3 GLY A 107 14.441 -7.053 -12.243 1.00 2.76 H new ATOM 1685 N GLY A 108 12.246 -9.389 -11.324 1.00 2.07 N ATOM 1686 CA GLY A 108 12.144 -10.795 -10.898 1.00 2.08 C ATOM 1687 C GLY A 108 12.319 -11.057 -9.400 1.00 1.94 C ATOM 1688 O GLY A 108 12.630 -12.180 -9.021 1.00 2.23 O ATOM 0 H GLY A 108 11.353 -8.987 -11.608 1.00 2.07 H new ATOM 0 HA2 GLY A 108 11.169 -11.176 -11.202 1.00 2.08 H new ATOM 0 HA3 GLY A 108 12.894 -11.373 -11.438 1.00 2.08 H new ATOM 1692 N LYS A 109 12.150 -10.049 -8.538 1.00 1.67 N ATOM 1693 CA LYS A 109 12.284 -10.195 -7.081 1.00 1.60 C ATOM 1694 C LYS A 109 10.917 -10.147 -6.394 1.00 1.38 C ATOM 1695 O LYS A 109 10.086 -9.307 -6.733 1.00 1.43 O ATOM 1696 CB LYS A 109 13.201 -9.085 -6.547 1.00 1.80 C ATOM 1697 CG LYS A 109 14.650 -9.355 -6.955 1.00 2.41 C ATOM 1698 CD LYS A 109 15.520 -8.098 -6.803 1.00 2.54 C ATOM 1699 CE LYS A 109 16.701 -8.123 -7.777 1.00 3.54 C ATOM 1700 NZ LYS A 109 16.257 -7.847 -9.166 1.00 4.66 N ATOM 0 H LYS A 109 11.915 -9.101 -8.832 1.00 1.67 H new ATOM 0 HA LYS A 109 12.725 -11.167 -6.860 1.00 1.60 H new ATOM 0 HB2 LYS A 109 12.880 -8.119 -6.937 1.00 1.80 H new ATOM 0 HB3 LYS A 109 13.125 -9.032 -5.461 1.00 1.80 H new ATOM 0 HG2 LYS A 109 15.058 -10.158 -6.342 1.00 2.41 H new ATOM 0 HG3 LYS A 109 14.680 -9.697 -7.989 1.00 2.41 H new ATOM 0 HD2 LYS A 109 14.915 -7.209 -6.983 1.00 2.54 H new ATOM 0 HD3 LYS A 109 15.890 -8.030 -5.780 1.00 2.54 H new ATOM 0 HE2 LYS A 109 17.441 -7.382 -7.475 1.00 3.54 H new ATOM 0 HE3 LYS A 109 17.190 -9.096 -7.735 1.00 3.54 H new ATOM 0 HZ1 LYS A 109 17.088 -7.686 -9.770 1.00 4.66 H new ATOM 0 HZ2 LYS A 109 15.719 -8.661 -9.527 1.00 4.66 H new ATOM 0 HZ3 LYS A 109 15.652 -7.001 -9.176 1.00 4.66 H new ATOM 1714 N VAL A 110 10.721 -11.003 -5.395 1.00 1.28 N ATOM 1715 CA VAL A 110 9.457 -11.114 -4.651 1.00 1.19 C ATOM 1716 C VAL A 110 9.675 -11.488 -3.182 1.00 1.23 C ATOM 1717 O VAL A 110 10.624 -12.203 -2.855 1.00 1.37 O ATOM 1718 CB VAL A 110 8.488 -12.082 -5.372 1.00 1.29 C ATOM 1719 CG1 VAL A 110 8.922 -13.556 -5.271 1.00 2.36 C ATOM 1720 CG2 VAL A 110 7.034 -11.923 -4.902 1.00 1.45 C ATOM 0 H VAL A 110 11.440 -11.649 -5.071 1.00 1.28 H new ATOM 0 HA VAL A 110 8.991 -10.129 -4.636 1.00 1.19 H new ATOM 0 HB VAL A 110 8.536 -11.796 -6.423 1.00 1.29 H new ATOM 0 HG11 VAL A 110 8.202 -14.184 -5.796 1.00 2.36 H new ATOM 0 HG12 VAL A 110 9.907 -13.677 -5.723 1.00 2.36 H new ATOM 0 HG13 VAL A 110 8.965 -13.852 -4.223 1.00 2.36 H new ATOM 0 HG21 VAL A 110 6.399 -12.626 -5.441 1.00 1.45 H new ATOM 0 HG22 VAL A 110 6.973 -12.125 -3.833 1.00 1.45 H new ATOM 0 HG23 VAL A 110 6.697 -10.905 -5.099 1.00 1.45 H new ATOM 1730 N LEU A 111 8.792 -10.977 -2.320 1.00 1.15 N ATOM 1731 CA LEU A 111 8.705 -11.198 -0.872 1.00 1.18 C ATOM 1732 C LEU A 111 7.256 -10.909 -0.425 1.00 1.15 C ATOM 1733 O LEU A 111 6.450 -10.471 -1.240 1.00 1.59 O ATOM 1734 CB LEU A 111 9.769 -10.305 -0.194 1.00 1.29 C ATOM 1735 CG LEU A 111 9.989 -10.472 1.326 1.00 1.34 C ATOM 1736 CD1 LEU A 111 10.254 -11.931 1.728 1.00 2.46 C ATOM 1737 CD2 LEU A 111 11.172 -9.590 1.754 1.00 2.17 C ATOM 0 H LEU A 111 8.059 -10.346 -2.643 1.00 1.15 H new ATOM 0 HA LEU A 111 8.920 -12.226 -0.582 1.00 1.18 H new ATOM 0 HB2 LEU A 111 10.722 -10.484 -0.692 1.00 1.29 H new ATOM 0 HB3 LEU A 111 9.502 -9.265 -0.381 1.00 1.29 H new ATOM 0 HG LEU A 111 9.074 -10.166 1.833 1.00 1.34 H new ATOM 0 HD11 LEU A 111 10.401 -11.990 2.806 1.00 2.46 H new ATOM 0 HD12 LEU A 111 9.401 -12.547 1.444 1.00 2.46 H new ATOM 0 HD13 LEU A 111 11.148 -12.292 1.219 1.00 2.46 H new ATOM 0 HD21 LEU A 111 11.338 -9.699 2.826 1.00 2.17 H new ATOM 0 HD22 LEU A 111 12.068 -9.897 1.215 1.00 2.17 H new ATOM 0 HD23 LEU A 111 10.950 -8.548 1.525 1.00 2.17 H new ATOM 1749 N LYS A 112 6.897 -11.121 0.845 1.00 1.09 N ATOM 1750 CA LYS A 112 5.556 -10.794 1.369 1.00 1.29 C ATOM 1751 C LYS A 112 5.571 -10.369 2.846 1.00 1.24 C ATOM 1752 O LYS A 112 6.516 -10.692 3.569 1.00 1.42 O ATOM 1753 CB LYS A 112 4.566 -11.933 1.060 1.00 1.61 C ATOM 1754 CG LYS A 112 4.806 -13.239 1.822 1.00 1.58 C ATOM 1755 CD LYS A 112 3.810 -14.299 1.327 1.00 1.65 C ATOM 1756 CE LYS A 112 3.977 -15.618 2.088 1.00 1.82 C ATOM 1757 NZ LYS A 112 3.388 -15.528 3.443 1.00 3.03 N ATOM 0 H LYS A 112 7.523 -11.523 1.543 1.00 1.09 H new ATOM 0 HA LYS A 112 5.199 -9.908 0.844 1.00 1.29 H new ATOM 0 HB2 LYS A 112 3.557 -11.584 1.281 1.00 1.61 H new ATOM 0 HB3 LYS A 112 4.604 -12.144 -0.009 1.00 1.61 H new ATOM 0 HG2 LYS A 112 5.829 -13.582 1.667 1.00 1.58 H new ATOM 0 HG3 LYS A 112 4.683 -13.078 2.893 1.00 1.58 H new ATOM 0 HD2 LYS A 112 2.792 -13.931 1.452 1.00 1.65 H new ATOM 0 HD3 LYS A 112 3.958 -14.471 0.261 1.00 1.65 H new ATOM 0 HE2 LYS A 112 3.499 -16.425 1.533 1.00 1.82 H new ATOM 0 HE3 LYS A 112 5.036 -15.867 2.164 1.00 1.82 H new ATOM 0 HZ1 LYS A 112 3.817 -16.250 4.057 1.00 3.03 H new ATOM 0 HZ2 LYS A 112 3.570 -14.584 3.839 1.00 3.03 H new ATOM 0 HZ3 LYS A 112 2.362 -15.687 3.387 1.00 3.03 H new ATOM 1771 N VAL A 113 4.565 -9.606 3.281 1.00 1.15 N ATOM 1772 CA VAL A 113 4.455 -9.011 4.634 1.00 1.29 C ATOM 1773 C VAL A 113 3.000 -9.099 5.118 1.00 1.31 C ATOM 1774 O VAL A 113 2.078 -9.218 4.312 1.00 1.34 O ATOM 1775 CB VAL A 113 4.949 -7.536 4.687 1.00 1.47 C ATOM 1776 CG1 VAL A 113 5.153 -7.023 6.127 1.00 1.75 C ATOM 1777 CG2 VAL A 113 6.275 -7.307 3.934 1.00 2.54 C ATOM 0 H VAL A 113 3.771 -9.371 2.686 1.00 1.15 H new ATOM 0 HA VAL A 113 5.106 -9.584 5.294 1.00 1.29 H new ATOM 0 HB VAL A 113 4.148 -6.982 4.198 1.00 1.47 H new ATOM 0 HG11 VAL A 113 5.498 -5.989 6.100 1.00 1.75 H new ATOM 0 HG12 VAL A 113 4.209 -7.076 6.669 1.00 1.75 H new ATOM 0 HG13 VAL A 113 5.897 -7.640 6.631 1.00 1.75 H new ATOM 0 HG21 VAL A 113 6.561 -6.258 4.011 1.00 2.54 H new ATOM 0 HG22 VAL A 113 7.055 -7.929 4.373 1.00 2.54 H new ATOM 0 HG23 VAL A 113 6.148 -7.572 2.884 1.00 2.54 H new ATOM 1787 N VAL A 114 2.818 -9.042 6.438 1.00 1.41 N ATOM 1788 CA VAL A 114 1.559 -9.297 7.165 1.00 1.38 C ATOM 1789 C VAL A 114 0.814 -7.986 7.451 1.00 1.31 C ATOM 1790 O VAL A 114 1.441 -6.948 7.677 1.00 1.90 O ATOM 1791 CB VAL A 114 1.843 -10.067 8.481 1.00 2.05 C ATOM 1792 CG1 VAL A 114 0.570 -10.334 9.303 1.00 2.13 C ATOM 1793 CG2 VAL A 114 2.522 -11.419 8.183 1.00 2.55 C ATOM 0 H VAL A 114 3.583 -8.804 7.070 1.00 1.41 H new ATOM 0 HA VAL A 114 0.919 -9.914 6.534 1.00 1.38 H new ATOM 0 HB VAL A 114 2.502 -9.427 9.068 1.00 2.05 H new ATOM 0 HG11 VAL A 114 0.831 -10.876 10.212 1.00 2.13 H new ATOM 0 HG12 VAL A 114 0.102 -9.386 9.567 1.00 2.13 H new ATOM 0 HG13 VAL A 114 -0.126 -10.930 8.713 1.00 2.13 H new ATOM 0 HG21 VAL A 114 2.713 -11.944 9.119 1.00 2.55 H new ATOM 0 HG22 VAL A 114 1.868 -12.024 7.554 1.00 2.55 H new ATOM 0 HG23 VAL A 114 3.465 -11.246 7.665 1.00 2.55 H new ATOM 1803 N LEU A 115 -0.526 -8.037 7.413 1.00 0.87 N ATOM 1804 CA LEU A 115 -1.439 -6.906 7.604 1.00 0.93 C ATOM 1805 C LEU A 115 -2.735 -7.349 8.337 1.00 0.75 C ATOM 1806 O LEU A 115 -3.491 -8.156 7.790 1.00 0.77 O ATOM 1807 CB LEU A 115 -1.803 -6.283 6.232 1.00 1.32 C ATOM 1808 CG LEU A 115 -0.628 -5.736 5.394 1.00 1.17 C ATOM 1809 CD1 LEU A 115 -0.102 -6.785 4.409 1.00 2.51 C ATOM 1810 CD2 LEU A 115 -1.056 -4.521 4.564 1.00 2.60 C ATOM 0 H LEU A 115 -1.023 -8.910 7.240 1.00 0.87 H new ATOM 0 HA LEU A 115 -0.933 -6.163 8.221 1.00 0.93 H new ATOM 0 HB2 LEU A 115 -2.322 -7.038 5.641 1.00 1.32 H new ATOM 0 HB3 LEU A 115 -2.509 -5.470 6.402 1.00 1.32 H new ATOM 0 HG LEU A 115 0.148 -5.462 6.108 1.00 1.17 H new ATOM 0 HD11 LEU A 115 0.725 -6.364 3.836 1.00 2.51 H new ATOM 0 HD12 LEU A 115 0.246 -7.659 4.960 1.00 2.51 H new ATOM 0 HD13 LEU A 115 -0.902 -7.079 3.729 1.00 2.51 H new ATOM 0 HD21 LEU A 115 -0.207 -4.159 3.985 1.00 2.60 H new ATOM 0 HD22 LEU A 115 -1.861 -4.808 3.887 1.00 2.60 H new ATOM 0 HD23 LEU A 115 -1.405 -3.731 5.229 1.00 2.60 H new ATOM 1822 N PRO A 116 -3.069 -6.794 9.517 1.00 0.72 N ATOM 1823 CA PRO A 116 -4.420 -6.860 10.060 1.00 0.74 C ATOM 1824 C PRO A 116 -5.334 -5.840 9.355 1.00 0.65 C ATOM 1825 O PRO A 116 -4.857 -4.926 8.680 1.00 0.71 O ATOM 1826 CB PRO A 116 -4.265 -6.569 11.553 1.00 0.96 C ATOM 1827 CG PRO A 116 -3.079 -5.607 11.592 1.00 0.81 C ATOM 1828 CD PRO A 116 -2.209 -6.041 10.413 1.00 0.73 C ATOM 0 HA PRO A 116 -4.890 -7.831 9.902 1.00 0.74 H new ATOM 0 HB2 PRO A 116 -5.165 -6.118 11.972 1.00 0.96 H new ATOM 0 HB3 PRO A 116 -4.068 -7.477 12.123 1.00 0.96 H new ATOM 0 HG2 PRO A 116 -3.402 -4.571 11.489 1.00 0.81 H new ATOM 0 HG3 PRO A 116 -2.537 -5.680 12.535 1.00 0.81 H new ATOM 0 HD2 PRO A 116 -1.784 -5.175 9.905 1.00 0.73 H new ATOM 0 HD3 PRO A 116 -1.373 -6.653 10.753 1.00 0.73 H new ATOM 1836 N VAL A 117 -6.651 -5.964 9.520 1.00 0.67 N ATOM 1837 CA VAL A 117 -7.635 -4.990 9.002 1.00 0.75 C ATOM 1838 C VAL A 117 -8.114 -4.035 10.114 1.00 0.89 C ATOM 1839 O VAL A 117 -8.345 -4.459 11.243 1.00 1.17 O ATOM 1840 CB VAL A 117 -8.831 -5.715 8.360 1.00 0.80 C ATOM 1841 CG1 VAL A 117 -9.837 -4.732 7.727 1.00 0.94 C ATOM 1842 CG2 VAL A 117 -8.403 -6.714 7.271 1.00 0.74 C ATOM 0 H VAL A 117 -7.076 -6.745 10.019 1.00 0.67 H new ATOM 0 HA VAL A 117 -7.141 -4.392 8.236 1.00 0.75 H new ATOM 0 HB VAL A 117 -9.304 -6.253 9.182 1.00 0.80 H new ATOM 0 HG11 VAL A 117 -10.663 -5.290 7.287 1.00 0.94 H new ATOM 0 HG12 VAL A 117 -10.221 -4.060 8.494 1.00 0.94 H new ATOM 0 HG13 VAL A 117 -9.338 -4.150 6.952 1.00 0.94 H new ATOM 0 HG21 VAL A 117 -9.286 -7.196 6.852 1.00 0.74 H new ATOM 0 HG22 VAL A 117 -7.870 -6.185 6.481 1.00 0.74 H new ATOM 0 HG23 VAL A 117 -7.749 -7.469 7.707 1.00 0.74 H new ATOM 1852 N GLU A 118 -8.308 -2.752 9.795 1.00 0.84 N ATOM 1853 CA GLU A 118 -8.701 -1.668 10.698 1.00 0.94 C ATOM 1854 C GLU A 118 -10.004 -0.992 10.224 1.00 1.07 C ATOM 1855 O GLU A 118 -10.204 -0.836 9.021 1.00 1.29 O ATOM 1856 CB GLU A 118 -7.562 -0.640 10.662 1.00 1.31 C ATOM 1857 CG GLU A 118 -7.824 0.561 11.568 1.00 2.75 C ATOM 1858 CD GLU A 118 -6.835 1.680 11.309 1.00 4.04 C ATOM 1859 OE1 GLU A 118 -6.727 2.129 10.145 1.00 4.97 O ATOM 1860 OE2 GLU A 118 -6.261 2.210 12.287 1.00 4.83 O ATOM 0 H GLU A 118 -8.187 -2.422 8.837 1.00 0.84 H new ATOM 0 HA GLU A 118 -8.876 -2.057 11.701 1.00 0.94 H new ATOM 0 HB2 GLU A 118 -6.633 -1.123 10.965 1.00 1.31 H new ATOM 0 HB3 GLU A 118 -7.423 -0.294 9.638 1.00 1.31 H new ATOM 0 HG2 GLU A 118 -8.838 0.926 11.406 1.00 2.75 H new ATOM 0 HG3 GLU A 118 -7.760 0.252 12.611 1.00 2.75 H new ATOM 1867 N ALA A 119 -10.860 -0.522 11.145 1.00 1.36 N ATOM 1868 CA ALA A 119 -11.987 0.358 10.815 1.00 1.65 C ATOM 1869 C ALA A 119 -11.550 1.828 10.666 1.00 1.84 C ATOM 1870 O ALA A 119 -11.322 2.535 11.651 1.00 2.44 O ATOM 1871 CB ALA A 119 -13.101 0.227 11.865 1.00 2.04 C ATOM 0 H ALA A 119 -10.788 -0.742 12.138 1.00 1.36 H new ATOM 0 HA ALA A 119 -12.376 0.038 9.848 1.00 1.65 H new ATOM 0 HB1 ALA A 119 -13.928 0.887 11.603 1.00 2.04 H new ATOM 0 HB2 ALA A 119 -13.455 -0.804 11.894 1.00 2.04 H new ATOM 0 HB3 ALA A 119 -12.712 0.504 12.845 1.00 2.04 H new ATOM 1877 N ARG A 120 -11.497 2.273 9.410 1.00 1.88 N ATOM 1878 CA ARG A 120 -11.320 3.621 8.913 1.00 2.26 C ATOM 1879 C ARG A 120 -11.826 3.671 7.465 1.00 2.95 C ATOM 1880 O ARG A 120 -12.260 2.612 6.963 1.00 4.06 O ATOM 1881 CB ARG A 120 -9.835 3.934 9.070 1.00 2.86 C ATOM 1882 CG ARG A 120 -9.537 5.403 8.797 1.00 3.74 C ATOM 1883 CD ARG A 120 -8.147 5.727 9.336 1.00 4.69 C ATOM 1884 NE ARG A 120 -8.117 5.705 10.815 1.00 5.32 N ATOM 1885 CZ ARG A 120 -7.248 5.021 11.533 1.00 6.25 C ATOM 1886 NH1 ARG A 120 -6.103 4.650 11.059 1.00 6.95 N ATOM 1887 NH2 ARG A 120 -7.545 4.616 12.732 1.00 7.17 N ATOM 1888 OXT ARG A 120 -11.758 4.746 6.829 1.00 3.23 O ATOM 0 H ARG A 120 -11.588 1.615 8.636 1.00 1.88 H new ATOM 0 HA ARG A 120 -11.888 4.377 9.455 1.00 2.26 H new ATOM 0 HB2 ARG A 120 -9.514 3.679 10.080 1.00 2.86 H new ATOM 0 HB3 ARG A 120 -9.258 3.312 8.386 1.00 2.86 H new ATOM 0 HG2 ARG A 120 -9.584 5.606 7.727 1.00 3.74 H new ATOM 0 HG3 ARG A 120 -10.285 6.036 9.275 1.00 3.74 H new ATOM 0 HD2 ARG A 120 -7.428 5.006 8.946 1.00 4.69 H new ATOM 0 HD3 ARG A 120 -7.838 6.710 8.980 1.00 4.69 H new ATOM 0 HE ARG A 120 -8.816 6.256 11.313 1.00 5.32 H new ATOM 0 HH11 ARG A 120 -5.847 4.886 10.100 1.00 6.95 H new ATOM 0 HH12 ARG A 120 -5.456 4.122 11.644 1.00 6.95 H new ATOM 0 HH21 ARG A 120 -8.461 4.826 13.129 1.00 7.17 H new ATOM 0 HH22 ARG A 120 -6.862 4.088 13.276 1.00 7.17 H new