USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 750 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 THR OG1 : rot 180:sc= -1.89! USER MOD Set 1.2: A 65 HIS : no HD1:sc= 0 X(o=-1.9,f=-1.9) USER MOD Set 2.1: A 5 ASN : amide:sc= -4.41! C(o=-4!,f=-5.7!) USER MOD Set 2.2: A 9 TYR OH : rot 60:sc= 0.436 USER MOD Single : A 8 THR OG1 : rot 10:sc= 0.646! USER MOD Single : A 12 TYR OH : rot -90:sc= -9.27! USER MOD Single : A 13 ASN : amide:sc= -8.57! C(o=-8.6!,f=-8.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -65:sc= 1.12 USER MOD Single : A 17 SER OG : rot -105:sc= -0.284 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= -5.38! (180deg=-5.99!) USER MOD Single : A 28 THR OG1 : rot -75:sc= -0.936! USER MOD Single : A 30 LYS NZ :NH3+ 136:sc= -2.71! (180deg=-5.21!) USER MOD Single : A 35 MET CE :methyl 175:sc= -40.2! (180deg=-41.8!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -128:sc= -3.25! USER MOD Single : A 51 THR OG1 : rot -168:sc= -7.48! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -156:sc= -5.77! (180deg=-7.49!) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -14.4! C(o=-20!,f=-14!) USER MOD Single : A 64 TYR OH : rot -144:sc= -10.5! USER MOD Single : A 67 LYS NZ :NH3+ -131:sc= -0.0261 (180deg=-0.0593) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.5 USER MOD Single : A 81 LYS NZ :NH3+ -159:sc= -0.953! (180deg=-2.26!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= -4.51! C(o=-6.2!,f=-4.5!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS :FLIP no HE2:sc= -22.6! C(o=-27!,f=-23!) USER MOD Single : A 95 GLN :FLIP amide:sc= -4.5 F(o=-8.3!,f=-4.5) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -15.1! C(o=-15!,f=-15!) USER MOD Single : A 103 THR OG1 : rot -50:sc= 1.15 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 150:sc= -13.7! USER MOD ----------------------------------------------------------------- ATOM 21 N ASN A 5 -3.556 12.654 7.646 1.00 0.00 N ATOM 22 CA ASN A 5 -3.258 11.745 8.753 1.00 0.00 C ATOM 23 C ASN A 5 -3.199 10.298 8.273 1.00 0.00 C ATOM 24 O ASN A 5 -3.915 9.436 8.779 1.00 0.00 O ATOM 25 CB ASN A 5 -4.321 11.884 9.844 1.00 0.00 C ATOM 26 CG ASN A 5 -5.714 11.578 9.329 1.00 0.00 C ATOM 27 OD1 ASN A 5 -6.566 12.464 9.245 1.00 0.00 O ATOM 28 ND2 ASN A 5 -5.954 10.320 8.981 1.00 0.00 N ATOM 0 HA ASN A 5 -2.283 12.013 9.159 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.084 11.211 10.668 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.298 12.898 10.244 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.873 10.055 8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.219 9.618 9.067 1.00 0.00 H new ATOM 35 N LEU A 6 -2.347 10.041 7.291 1.00 0.00 N ATOM 36 CA LEU A 6 -2.202 8.701 6.734 1.00 0.00 C ATOM 37 C LEU A 6 -1.293 7.832 7.597 1.00 0.00 C ATOM 38 O LEU A 6 -1.488 6.621 7.702 1.00 0.00 O ATOM 39 CB LEU A 6 -1.651 8.779 5.305 1.00 0.00 C ATOM 40 CG LEU A 6 -1.582 7.448 4.559 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.596 6.472 5.130 1.00 0.00 C ATOM 42 CD2 LEU A 6 -1.818 7.657 3.067 1.00 0.00 C ATOM 0 H LEU A 6 -1.744 10.743 6.862 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.189 8.240 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.272 9.467 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.650 9.208 5.342 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.585 7.028 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.536 5.527 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.382 6.300 6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.599 6.887 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.765 6.698 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.803 8.098 2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.055 8.325 2.668 1.00 0.00 H new ATOM 54 N GLU A 7 -0.291 8.461 8.191 1.00 0.00 N ATOM 55 CA GLU A 7 0.681 7.766 9.027 1.00 0.00 C ATOM 56 C GLU A 7 0.057 7.258 10.319 1.00 0.00 C ATOM 57 O GLU A 7 0.627 6.403 10.996 1.00 0.00 O ATOM 58 CB GLU A 7 1.854 8.692 9.351 1.00 0.00 C ATOM 59 CG GLU A 7 1.975 9.028 10.829 1.00 0.00 C ATOM 60 CD GLU A 7 2.884 8.070 11.572 1.00 0.00 C ATOM 61 OE1 GLU A 7 3.124 6.958 11.056 1.00 0.00 O ATOM 62 OE2 GLU A 7 3.357 8.429 12.670 1.00 0.00 O ATOM 0 H GLU A 7 -0.127 9.464 8.109 1.00 0.00 H new ATOM 0 HA GLU A 7 1.038 6.903 8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.779 8.223 9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.743 9.617 8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.357 10.043 10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.985 9.010 11.284 1.00 0.00 H new ATOM 69 N THR A 8 -1.106 7.788 10.666 1.00 0.00 N ATOM 70 CA THR A 8 -1.780 7.377 11.887 1.00 0.00 C ATOM 71 C THR A 8 -2.611 6.124 11.661 1.00 0.00 C ATOM 72 O THR A 8 -3.117 5.524 12.611 1.00 0.00 O ATOM 73 CB THR A 8 -2.660 8.506 12.425 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.624 8.001 13.331 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.399 9.255 11.338 1.00 0.00 C ATOM 0 H THR A 8 -1.599 8.498 10.124 1.00 0.00 H new ATOM 0 HA THR A 8 -1.014 7.148 12.628 1.00 0.00 H new ATOM 0 HB THR A 8 -1.977 9.196 12.920 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.422 7.064 13.534 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.005 10.042 11.786 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.680 9.698 10.648 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.045 8.565 10.795 1.00 0.00 H new ATOM 83 N TYR A 9 -2.741 5.724 10.405 1.00 0.00 N ATOM 84 CA TYR A 9 -3.501 4.541 10.070 1.00 0.00 C ATOM 85 C TYR A 9 -2.640 3.297 10.208 1.00 0.00 C ATOM 86 O TYR A 9 -1.415 3.362 10.113 1.00 0.00 O ATOM 87 CB TYR A 9 -4.051 4.642 8.653 1.00 0.00 C ATOM 88 CG TYR A 9 -5.090 5.721 8.497 1.00 0.00 C ATOM 89 CD1 TYR A 9 -6.426 5.473 8.777 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.733 6.991 8.073 1.00 0.00 C ATOM 91 CE1 TYR A 9 -7.378 6.460 8.638 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.676 7.984 7.928 1.00 0.00 C ATOM 93 CZ TYR A 9 -7.000 7.719 8.211 1.00 0.00 C ATOM 94 OH TYR A 9 -7.947 8.710 8.063 1.00 0.00 O ATOM 0 H TYR A 9 -2.328 6.204 9.605 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.337 4.466 10.765 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.229 4.835 7.964 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.486 3.684 8.370 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.725 4.490 9.110 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.698 7.206 7.853 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.414 6.251 8.862 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.380 8.967 7.594 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.387 8.874 8.923 1.00 0.00 H new ATOM 104 N GLU A 10 -3.289 2.166 10.439 1.00 0.00 N ATOM 105 CA GLU A 10 -2.584 0.905 10.600 1.00 0.00 C ATOM 106 C GLU A 10 -2.031 0.407 9.272 1.00 0.00 C ATOM 107 O GLU A 10 -2.043 -0.793 9.001 1.00 0.00 O ATOM 108 CB GLU A 10 -3.523 -0.147 11.186 1.00 0.00 C ATOM 109 CG GLU A 10 -2.855 -1.490 11.431 1.00 0.00 C ATOM 110 CD GLU A 10 -2.322 -1.627 12.844 1.00 0.00 C ATOM 111 OE1 GLU A 10 -1.198 -1.152 13.104 1.00 0.00 O ATOM 112 OE2 GLU A 10 -3.032 -2.210 13.692 1.00 0.00 O ATOM 0 H GLU A 10 -4.303 2.096 10.519 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.749 1.073 11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.929 0.224 12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.365 -0.288 10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.571 -2.289 11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.036 -1.619 10.724 1.00 0.00 H new ATOM 119 N TRP A 11 -1.560 1.318 8.431 1.00 0.00 N ATOM 120 CA TRP A 11 -1.041 0.905 7.139 1.00 0.00 C ATOM 121 C TRP A 11 -0.124 1.941 6.481 1.00 0.00 C ATOM 122 O TRP A 11 0.455 1.657 5.434 1.00 0.00 O ATOM 123 CB TRP A 11 -2.212 0.584 6.217 1.00 0.00 C ATOM 124 CG TRP A 11 -3.409 1.447 6.473 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.366 1.274 7.434 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.768 2.628 5.762 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.298 2.277 7.356 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.954 3.122 6.334 1.00 0.00 C ATOM 129 CE3 TRP A 11 -3.200 3.315 4.696 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.578 4.272 5.868 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.819 4.458 4.233 1.00 0.00 C ATOM 132 CH2 TRP A 11 -5.000 4.927 4.819 1.00 0.00 C ATOM 0 H TRP A 11 -1.527 2.321 8.614 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.422 0.024 7.309 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.896 0.707 5.181 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.491 -0.462 6.343 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.385 0.466 8.150 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.114 2.377 7.960 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.289 2.960 4.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.489 4.635 6.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.385 4.999 3.405 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.463 5.824 4.434 1.00 0.00 H new ATOM 143 N TYR A 12 0.035 3.131 7.068 1.00 0.00 N ATOM 144 CA TYR A 12 0.914 4.118 6.459 1.00 0.00 C ATOM 145 C TYR A 12 2.278 4.119 7.124 1.00 0.00 C ATOM 146 O TYR A 12 2.400 3.980 8.340 1.00 0.00 O ATOM 147 CB TYR A 12 0.330 5.530 6.497 1.00 0.00 C ATOM 148 CG TYR A 12 1.227 6.520 5.784 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.044 6.096 4.748 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.281 7.856 6.153 1.00 0.00 C ATOM 151 CE1 TYR A 12 2.887 6.970 4.094 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.123 8.741 5.507 1.00 0.00 C ATOM 153 CZ TYR A 12 2.925 8.293 4.480 1.00 0.00 C ATOM 154 OH TYR A 12 3.766 9.171 3.841 1.00 0.00 O ATOM 0 H TYR A 12 -0.418 3.423 7.934 1.00 0.00 H new ATOM 0 HA TYR A 12 1.017 3.826 5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.656 5.530 6.032 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.194 5.841 7.533 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.020 5.059 4.446 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.655 8.210 6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.512 6.621 3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.152 9.779 5.806 1.00 0.00 H new ATOM 0 HH TYR A 12 4.633 9.184 4.297 1.00 0.00 H new ATOM 164 N ASN A 13 3.298 4.271 6.299 1.00 0.00 N ATOM 165 CA ASN A 13 4.672 4.289 6.756 1.00 0.00 C ATOM 166 C ASN A 13 5.358 5.577 6.308 1.00 0.00 C ATOM 167 O ASN A 13 5.161 6.036 5.184 1.00 0.00 O ATOM 168 CB ASN A 13 5.398 3.064 6.219 1.00 0.00 C ATOM 169 CG ASN A 13 5.858 2.136 7.324 1.00 0.00 C ATOM 170 OD1 ASN A 13 6.839 2.411 8.015 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.146 1.027 7.500 1.00 0.00 N ATOM 0 H ASN A 13 3.195 4.386 5.291 1.00 0.00 H new ATOM 0 HA ASN A 13 4.697 4.259 7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.738 2.521 5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.260 3.383 5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.406 0.365 8.231 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.340 0.839 6.904 1.00 0.00 H new ATOM 178 N LYS A 14 6.138 6.172 7.202 1.00 0.00 N ATOM 179 CA LYS A 14 6.822 7.427 6.904 1.00 0.00 C ATOM 180 C LYS A 14 7.450 7.407 5.519 1.00 0.00 C ATOM 181 O LYS A 14 7.292 8.347 4.741 1.00 0.00 O ATOM 182 CB LYS A 14 7.905 7.695 7.949 1.00 0.00 C ATOM 183 CG LYS A 14 7.573 7.143 9.323 1.00 0.00 C ATOM 184 CD LYS A 14 7.717 8.207 10.397 1.00 0.00 C ATOM 185 CE LYS A 14 8.462 7.677 11.612 1.00 0.00 C ATOM 186 NZ LYS A 14 7.729 7.954 12.878 1.00 0.00 N ATOM 0 H LYS A 14 6.313 5.807 8.138 1.00 0.00 H new ATOM 0 HA LYS A 14 6.077 8.222 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.843 7.258 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.064 8.770 8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.554 6.757 9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.232 6.304 9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.249 9.067 9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.730 8.557 10.699 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.610 6.602 11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.451 8.132 11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.270 7.577 13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.609 8.981 12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.795 7.498 12.845 1.00 0.00 H new ATOM 200 N SER A 15 8.155 6.334 5.216 1.00 0.00 N ATOM 201 CA SER A 15 8.805 6.194 3.917 1.00 0.00 C ATOM 202 C SER A 15 9.687 4.953 3.876 1.00 0.00 C ATOM 203 O SER A 15 10.912 5.052 3.784 1.00 0.00 O ATOM 204 CB SER A 15 9.640 7.437 3.606 1.00 0.00 C ATOM 205 OG SER A 15 10.560 7.184 2.558 1.00 0.00 O ATOM 0 H SER A 15 8.295 5.545 5.847 1.00 0.00 H new ATOM 0 HA SER A 15 8.027 6.087 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.982 8.260 3.326 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.179 7.750 4.500 1.00 0.00 H new ATOM 0 HG SER A 15 11.214 6.516 2.851 1.00 0.00 H new ATOM 211 N ILE A 16 9.062 3.785 3.954 1.00 0.00 N ATOM 212 CA ILE A 16 9.790 2.530 3.936 1.00 0.00 C ATOM 213 C ILE A 16 9.927 1.974 2.517 1.00 0.00 C ATOM 214 O ILE A 16 11.039 1.833 2.008 1.00 0.00 O ATOM 215 CB ILE A 16 9.108 1.499 4.852 1.00 0.00 C ATOM 216 CG1 ILE A 16 8.621 0.282 4.066 1.00 0.00 C ATOM 217 CG2 ILE A 16 7.955 2.146 5.598 1.00 0.00 C ATOM 218 CD1 ILE A 16 7.161 0.361 3.665 1.00 0.00 C ATOM 0 H ILE A 16 8.050 3.684 4.030 1.00 0.00 H new ATOM 0 HA ILE A 16 10.794 2.728 4.311 1.00 0.00 H new ATOM 0 HB ILE A 16 9.848 1.149 5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.230 0.173 3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.776 -0.614 4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.479 1.408 6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.331 2.970 6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.226 2.526 4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.887 -0.537 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.542 0.439 4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.003 1.238 3.037 1.00 0.00 H new ATOM 230 N SER A 17 8.798 1.662 1.883 1.00 0.00 N ATOM 231 CA SER A 17 8.802 1.125 0.527 1.00 0.00 C ATOM 232 C SER A 17 7.934 -0.123 0.437 1.00 0.00 C ATOM 233 O SER A 17 7.852 -0.905 1.385 1.00 0.00 O ATOM 234 CB SER A 17 10.230 0.799 0.083 1.00 0.00 C ATOM 235 OG SER A 17 10.843 -0.118 0.973 1.00 0.00 O ATOM 0 H SER A 17 7.869 1.773 2.289 1.00 0.00 H new ATOM 0 HA SER A 17 8.390 1.885 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.215 0.380 -0.923 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.818 1.715 0.037 1.00 0.00 H new ATOM 0 HG SER A 17 11.494 0.355 1.533 1.00 0.00 H new ATOM 241 N ARG A 18 7.287 -0.310 -0.710 1.00 0.00 N ATOM 242 CA ARG A 18 6.428 -1.464 -0.920 1.00 0.00 C ATOM 243 C ARG A 18 7.206 -2.758 -0.717 1.00 0.00 C ATOM 244 O ARG A 18 6.628 -3.801 -0.407 1.00 0.00 O ATOM 245 CB ARG A 18 5.827 -1.431 -2.326 1.00 0.00 C ATOM 246 CG ARG A 18 6.089 -2.695 -3.131 1.00 0.00 C ATOM 247 CD ARG A 18 7.578 -2.946 -3.304 1.00 0.00 C ATOM 248 NE ARG A 18 8.370 -1.737 -3.089 1.00 0.00 N ATOM 249 CZ ARG A 18 9.640 -1.614 -3.455 1.00 0.00 C ATOM 250 NH1 ARG A 18 10.262 -2.622 -4.053 1.00 0.00 N ATOM 251 NH2 ARG A 18 10.292 -0.481 -3.225 1.00 0.00 N ATOM 0 H ARG A 18 7.343 0.325 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 18 5.621 -1.425 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.751 -1.276 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.234 -0.576 -2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.631 -3.548 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.617 -2.609 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.898 -3.718 -2.604 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.766 -3.328 -4.307 1.00 0.00 H new ATOM 0 HE ARG A 18 7.922 -0.943 -2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.764 -3.494 -4.232 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.238 -2.525 -4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.817 0.297 -2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.268 -0.388 -3.507 1.00 0.00 H new ATOM 265 N ASP A 19 8.526 -2.685 -0.883 1.00 0.00 N ATOM 266 CA ASP A 19 9.367 -3.863 -0.701 1.00 0.00 C ATOM 267 C ASP A 19 9.273 -4.333 0.739 1.00 0.00 C ATOM 268 O ASP A 19 9.174 -5.531 1.018 1.00 0.00 O ATOM 269 CB ASP A 19 10.819 -3.548 -1.065 1.00 0.00 C ATOM 270 CG ASP A 19 11.794 -4.542 -0.462 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.373 -5.680 -0.165 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.976 -4.182 -0.287 1.00 0.00 O ATOM 0 H ASP A 19 9.029 -1.835 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 19 9.017 -4.656 -1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.927 -3.549 -2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.068 -2.544 -0.721 1.00 0.00 H new ATOM 277 N LYS A 20 9.259 -3.368 1.644 1.00 0.00 N ATOM 278 CA LYS A 20 9.130 -3.651 3.057 1.00 0.00 C ATOM 279 C LYS A 20 7.753 -4.209 3.320 1.00 0.00 C ATOM 280 O LYS A 20 7.591 -5.266 3.924 1.00 0.00 O ATOM 281 CB LYS A 20 9.337 -2.382 3.873 1.00 0.00 C ATOM 282 CG LYS A 20 10.533 -2.456 4.794 1.00 0.00 C ATOM 283 CD LYS A 20 10.990 -1.075 5.235 1.00 0.00 C ATOM 284 CE LYS A 20 11.508 -0.259 4.063 1.00 0.00 C ATOM 285 NZ LYS A 20 12.909 0.196 4.278 1.00 0.00 N ATOM 0 H LYS A 20 9.336 -2.376 1.419 1.00 0.00 H new ATOM 0 HA LYS A 20 9.888 -4.377 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.460 -1.538 3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.442 -2.188 4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.281 -3.053 5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.352 -2.965 4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.160 -0.549 5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.774 -1.173 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.456 -0.857 3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.864 0.607 3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.224 0.749 3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.955 0.788 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.528 -0.631 4.397 1.00 0.00 H new ATOM 299 N ALA A 21 6.764 -3.492 2.827 1.00 0.00 N ATOM 300 CA ALA A 21 5.386 -3.904 2.965 1.00 0.00 C ATOM 301 C ALA A 21 5.212 -5.293 2.368 1.00 0.00 C ATOM 302 O ALA A 21 4.595 -6.171 2.972 1.00 0.00 O ATOM 303 CB ALA A 21 4.476 -2.898 2.288 1.00 0.00 C ATOM 0 H ALA A 21 6.893 -2.614 2.324 1.00 0.00 H new ATOM 0 HA ALA A 21 5.116 -3.945 4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.439 -3.215 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.607 -1.920 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.728 -2.835 1.229 1.00 0.00 H new ATOM 309 N GLU A 22 5.791 -5.493 1.187 1.00 0.00 N ATOM 310 CA GLU A 22 5.723 -6.786 0.526 1.00 0.00 C ATOM 311 C GLU A 22 6.489 -7.819 1.335 1.00 0.00 C ATOM 312 O GLU A 22 5.975 -8.898 1.644 1.00 0.00 O ATOM 313 CB GLU A 22 6.292 -6.696 -0.891 1.00 0.00 C ATOM 314 CG GLU A 22 5.674 -7.690 -1.860 1.00 0.00 C ATOM 315 CD GLU A 22 6.406 -7.744 -3.187 1.00 0.00 C ATOM 316 OE1 GLU A 22 6.645 -6.669 -3.777 1.00 0.00 O ATOM 317 OE2 GLU A 22 6.739 -8.861 -3.636 1.00 0.00 O ATOM 0 H GLU A 22 6.308 -4.779 0.674 1.00 0.00 H new ATOM 0 HA GLU A 22 4.678 -7.090 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.138 -5.686 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.369 -6.861 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.676 -8.682 -1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.632 -7.421 -2.035 1.00 0.00 H new ATOM 324 N LYS A 23 7.716 -7.465 1.701 1.00 0.00 N ATOM 325 CA LYS A 23 8.554 -8.347 2.501 1.00 0.00 C ATOM 326 C LYS A 23 7.932 -8.545 3.875 1.00 0.00 C ATOM 327 O LYS A 23 7.872 -9.657 4.395 1.00 0.00 O ATOM 328 CB LYS A 23 9.970 -7.781 2.630 1.00 0.00 C ATOM 329 CG LYS A 23 10.090 -6.656 3.643 1.00 0.00 C ATOM 330 CD LYS A 23 10.404 -7.186 5.032 1.00 0.00 C ATOM 331 CE LYS A 23 9.549 -6.509 6.090 1.00 0.00 C ATOM 332 NZ LYS A 23 9.234 -7.426 7.221 1.00 0.00 N ATOM 0 H LYS A 23 8.151 -6.575 1.457 1.00 0.00 H new ATOM 0 HA LYS A 23 8.622 -9.313 2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.649 -8.586 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.296 -7.417 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.874 -5.966 3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.159 -6.090 3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.235 -8.262 5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.458 -7.023 5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.070 -5.630 6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.621 -6.159 5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.504 -6.996 7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.885 -8.331 6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.093 -7.592 7.783 1.00 0.00 H new ATOM 346 N LEU A 24 7.448 -7.454 4.446 1.00 0.00 N ATOM 347 CA LEU A 24 6.797 -7.498 5.747 1.00 0.00 C ATOM 348 C LEU A 24 5.467 -8.230 5.640 1.00 0.00 C ATOM 349 O LEU A 24 5.111 -9.031 6.504 1.00 0.00 O ATOM 350 CB LEU A 24 6.565 -6.085 6.292 1.00 0.00 C ATOM 351 CG LEU A 24 5.126 -5.785 6.720 1.00 0.00 C ATOM 352 CD1 LEU A 24 5.112 -4.971 8.004 1.00 0.00 C ATOM 353 CD2 LEU A 24 4.380 -5.051 5.614 1.00 0.00 C ATOM 0 H LEU A 24 7.493 -6.524 4.029 1.00 0.00 H new ATOM 0 HA LEU A 24 7.452 -8.032 6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.223 -5.929 7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.859 -5.365 5.529 1.00 0.00 H new ATOM 0 HG LEU A 24 4.618 -6.731 6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.081 -4.767 8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.607 -5.532 8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.637 -4.029 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.359 -4.847 5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.886 -4.111 5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.360 -5.669 4.717 1.00 0.00 H new ATOM 365 N LEU A 25 4.729 -7.933 4.573 1.00 0.00 N ATOM 366 CA LEU A 25 3.426 -8.544 4.349 1.00 0.00 C ATOM 367 C LEU A 25 3.545 -10.011 3.969 1.00 0.00 C ATOM 368 O LEU A 25 2.897 -10.870 4.568 1.00 0.00 O ATOM 369 CB LEU A 25 2.663 -7.786 3.263 1.00 0.00 C ATOM 370 CG LEU A 25 2.017 -6.476 3.716 1.00 0.00 C ATOM 371 CD1 LEU A 25 2.384 -5.344 2.771 1.00 0.00 C ATOM 372 CD2 LEU A 25 0.507 -6.633 3.800 1.00 0.00 C ATOM 0 H LEU A 25 5.014 -7.272 3.850 1.00 0.00 H new ATOM 0 HA LEU A 25 2.875 -8.486 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.348 -7.570 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.885 -8.438 2.865 1.00 0.00 H new ATOM 0 HG LEU A 25 2.395 -6.229 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.915 -4.420 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.467 -5.218 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.034 -5.581 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.061 -5.693 4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.114 -6.903 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.262 -7.417 4.517 1.00 0.00 H new ATOM 384 N LEU A 26 4.370 -10.299 2.978 1.00 0.00 N ATOM 385 CA LEU A 26 4.556 -11.673 2.537 1.00 0.00 C ATOM 386 C LEU A 26 5.032 -12.539 3.694 1.00 0.00 C ATOM 387 O LEU A 26 4.651 -13.703 3.816 1.00 0.00 O ATOM 388 CB LEU A 26 5.551 -11.741 1.377 1.00 0.00 C ATOM 389 CG LEU A 26 6.957 -12.191 1.762 1.00 0.00 C ATOM 390 CD1 LEU A 26 7.536 -11.262 2.813 1.00 0.00 C ATOM 391 CD2 LEU A 26 6.937 -13.626 2.269 1.00 0.00 C ATOM 0 H LEU A 26 4.918 -9.608 2.466 1.00 0.00 H new ATOM 0 HA LEU A 26 3.596 -12.053 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.161 -12.424 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.615 -10.756 0.914 1.00 0.00 H new ATOM 0 HG LEU A 26 7.591 -12.150 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.540 -11.594 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.583 -10.248 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.902 -11.276 3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.948 -13.931 2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.292 -13.694 3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.557 -14.283 1.487 1.00 0.00 H new ATOM 403 N ASP A 27 5.860 -11.952 4.548 1.00 0.00 N ATOM 404 CA ASP A 27 6.394 -12.649 5.710 1.00 0.00 C ATOM 405 C ASP A 27 5.291 -12.941 6.720 1.00 0.00 C ATOM 406 O ASP A 27 5.200 -14.042 7.261 1.00 0.00 O ATOM 407 CB ASP A 27 7.500 -11.821 6.367 1.00 0.00 C ATOM 408 CG ASP A 27 7.934 -12.393 7.703 1.00 0.00 C ATOM 409 OD1 ASP A 27 8.254 -13.599 7.755 1.00 0.00 O ATOM 410 OD2 ASP A 27 7.953 -11.635 8.695 1.00 0.00 O ATOM 0 H ASP A 27 6.178 -10.987 4.456 1.00 0.00 H new ATOM 0 HA ASP A 27 6.815 -13.597 5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.360 -11.773 5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.149 -10.799 6.509 1.00 0.00 H new ATOM 415 N THR A 28 4.462 -11.937 6.968 1.00 0.00 N ATOM 416 CA THR A 28 3.361 -12.064 7.915 1.00 0.00 C ATOM 417 C THR A 28 2.361 -13.108 7.449 1.00 0.00 C ATOM 418 O THR A 28 1.952 -13.982 8.212 1.00 0.00 O ATOM 419 CB THR A 28 2.664 -10.717 8.103 1.00 0.00 C ATOM 420 OG1 THR A 28 3.190 -9.749 7.213 1.00 0.00 O ATOM 421 CG2 THR A 28 2.793 -10.166 9.508 1.00 0.00 C ATOM 0 H THR A 28 4.531 -11.021 6.525 1.00 0.00 H new ATOM 0 HA THR A 28 3.773 -12.387 8.871 1.00 0.00 H new ATOM 0 HB THR A 28 1.610 -10.908 7.900 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.072 -9.460 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.276 -9.209 9.572 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.349 -10.866 10.216 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.847 -10.026 9.749 1.00 0.00 H new ATOM 429 N GLY A 29 1.975 -13.012 6.188 1.00 0.00 N ATOM 430 CA GLY A 29 1.026 -13.955 5.627 1.00 0.00 C ATOM 431 C GLY A 29 -0.384 -13.749 6.147 1.00 0.00 C ATOM 432 O GLY A 29 -1.121 -14.712 6.352 1.00 0.00 O ATOM 0 H GLY A 29 2.302 -12.296 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.025 -13.860 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.349 -14.970 5.858 1.00 0.00 H new ATOM 436 N LYS A 30 -0.763 -12.492 6.354 1.00 0.00 N ATOM 437 CA LYS A 30 -2.099 -12.171 6.845 1.00 0.00 C ATOM 438 C LYS A 30 -3.007 -11.767 5.701 1.00 0.00 C ATOM 439 O LYS A 30 -2.675 -10.872 4.923 1.00 0.00 O ATOM 440 CB LYS A 30 -2.050 -11.029 7.858 1.00 0.00 C ATOM 441 CG LYS A 30 -0.639 -10.598 8.226 1.00 0.00 C ATOM 442 CD LYS A 30 -0.571 -10.073 9.651 1.00 0.00 C ATOM 443 CE LYS A 30 -0.101 -8.628 9.690 1.00 0.00 C ATOM 444 NZ LYS A 30 -0.582 -7.920 10.909 1.00 0.00 N ATOM 0 H LYS A 30 -0.166 -11.681 6.190 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.492 -13.066 7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.588 -10.172 7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.574 -11.335 8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.041 -11.443 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.302 -9.825 7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.554 -10.150 10.115 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.107 -10.693 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.988 -8.600 9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.458 -8.106 8.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.195 -7.359 11.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.369 -7.289 10.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.907 -8.617 11.609 1.00 0.00 H new ATOM 458 N GLU A 31 -4.163 -12.406 5.606 1.00 0.00 N ATOM 459 CA GLU A 31 -5.103 -12.067 4.557 1.00 0.00 C ATOM 460 C GLU A 31 -5.671 -10.681 4.817 1.00 0.00 C ATOM 461 O GLU A 31 -6.229 -10.418 5.881 1.00 0.00 O ATOM 462 CB GLU A 31 -6.234 -13.096 4.493 1.00 0.00 C ATOM 463 CG GLU A 31 -7.621 -12.480 4.582 1.00 0.00 C ATOM 464 CD GLU A 31 -8.694 -13.505 4.897 1.00 0.00 C ATOM 465 OE1 GLU A 31 -8.371 -14.710 4.936 1.00 0.00 O ATOM 466 OE2 GLU A 31 -9.857 -13.101 5.108 1.00 0.00 O ATOM 0 H GLU A 31 -4.467 -13.150 6.234 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.582 -12.073 3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.153 -13.656 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.110 -13.811 5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.623 -11.708 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.858 -11.989 3.638 1.00 0.00 H new ATOM 473 N GLY A 32 -5.521 -9.795 3.845 1.00 0.00 N ATOM 474 CA GLY A 32 -6.023 -8.450 4.000 1.00 0.00 C ATOM 475 C GLY A 32 -5.036 -7.524 4.673 1.00 0.00 C ATOM 476 O GLY A 32 -5.432 -6.522 5.255 1.00 0.00 O ATOM 0 H GLY A 32 -5.062 -9.984 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.279 -8.049 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.943 -8.477 4.583 1.00 0.00 H new ATOM 480 N ALA A 33 -3.748 -7.829 4.599 1.00 0.00 N ATOM 481 CA ALA A 33 -2.770 -6.951 5.231 1.00 0.00 C ATOM 482 C ALA A 33 -2.324 -5.876 4.253 1.00 0.00 C ATOM 483 O ALA A 33 -1.740 -6.182 3.216 1.00 0.00 O ATOM 484 CB ALA A 33 -1.574 -7.754 5.721 1.00 0.00 C ATOM 0 H ALA A 33 -3.364 -8.647 4.126 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.236 -6.469 6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.853 -7.084 6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.907 -8.495 6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.104 -8.259 4.877 1.00 0.00 H new ATOM 490 N PHE A 34 -2.598 -4.614 4.577 1.00 0.00 N ATOM 491 CA PHE A 34 -2.206 -3.527 3.696 1.00 0.00 C ATOM 492 C PHE A 34 -1.375 -2.455 4.386 1.00 0.00 C ATOM 493 O PHE A 34 -1.362 -2.333 5.610 1.00 0.00 O ATOM 494 CB PHE A 34 -3.421 -2.897 3.013 1.00 0.00 C ATOM 495 CG PHE A 34 -4.521 -2.477 3.943 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.298 -1.536 4.935 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.792 -3.002 3.802 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.323 -1.131 5.765 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.817 -2.605 4.636 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.583 -1.667 5.618 1.00 0.00 C ATOM 0 H PHE A 34 -3.081 -4.326 5.428 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.567 -3.981 2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.091 -2.026 2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.825 -3.609 2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.311 -1.115 5.060 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.985 -3.732 3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.137 -0.393 6.531 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.803 -3.030 4.519 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.385 -1.353 6.270 1.00 0.00 H new ATOM 510 N MET A 35 -0.715 -1.657 3.554 1.00 0.00 N ATOM 511 CA MET A 35 0.108 -0.542 3.998 1.00 0.00 C ATOM 512 C MET A 35 0.101 0.522 2.909 1.00 0.00 C ATOM 513 O MET A 35 -0.342 0.257 1.792 1.00 0.00 O ATOM 514 CB MET A 35 1.541 -0.993 4.289 1.00 0.00 C ATOM 515 CG MET A 35 1.887 -2.352 3.707 1.00 0.00 C ATOM 516 SD MET A 35 1.086 -3.707 4.586 1.00 0.00 S ATOM 517 CE MET A 35 0.808 -2.953 6.185 1.00 0.00 C ATOM 0 H MET A 35 -0.738 -1.769 2.540 1.00 0.00 H new ATOM 0 HA MET A 35 -0.301 -0.138 4.924 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.233 -0.251 3.891 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.691 -1.022 5.368 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.592 -2.380 2.658 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.968 -2.492 3.738 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.239 -3.636 6.815 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.766 -2.737 6.657 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.249 -2.026 6.058 1.00 0.00 H new ATOM 527 N VAL A 36 0.570 1.721 3.216 1.00 0.00 N ATOM 528 CA VAL A 36 0.576 2.780 2.220 1.00 0.00 C ATOM 529 C VAL A 36 1.857 3.604 2.273 1.00 0.00 C ATOM 530 O VAL A 36 2.373 3.901 3.346 1.00 0.00 O ATOM 531 CB VAL A 36 -0.658 3.687 2.374 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.927 2.880 2.132 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.684 4.336 3.749 1.00 0.00 C ATOM 0 H VAL A 36 0.944 1.982 4.128 1.00 0.00 H new ATOM 0 HA VAL A 36 0.535 2.301 1.242 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.602 4.483 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.797 3.528 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.908 2.466 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.985 2.068 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.565 4.972 3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.719 3.562 4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.214 4.939 3.884 1.00 0.00 H new ATOM 543 N ARG A 37 2.375 3.953 1.097 1.00 0.00 N ATOM 544 CA ARG A 37 3.602 4.724 1.000 1.00 0.00 C ATOM 545 C ARG A 37 3.343 6.125 0.452 1.00 0.00 C ATOM 546 O ARG A 37 2.551 6.308 -0.480 1.00 0.00 O ATOM 547 CB ARG A 37 4.622 3.998 0.118 1.00 0.00 C ATOM 548 CG ARG A 37 4.542 2.482 0.207 1.00 0.00 C ATOM 549 CD ARG A 37 4.220 2.014 1.617 1.00 0.00 C ATOM 550 NE ARG A 37 4.537 3.027 2.620 1.00 0.00 N ATOM 551 CZ ARG A 37 5.716 3.632 2.710 1.00 0.00 C ATOM 552 NH1 ARG A 37 6.688 3.327 1.861 1.00 0.00 N ATOM 553 NH2 ARG A 37 5.924 4.543 3.650 1.00 0.00 N ATOM 0 H ARG A 37 1.959 3.711 0.198 1.00 0.00 H new ATOM 0 HA ARG A 37 4.006 4.825 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.472 4.300 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.625 4.317 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.778 2.118 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.490 2.049 -0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.162 1.760 1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.780 1.104 1.833 1.00 0.00 H new ATOM 0 HE ARG A 37 3.812 3.285 3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.531 2.626 1.137 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.592 3.793 1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.178 4.780 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.830 5.007 3.719 1.00 0.00 H new ATOM 567 N ASP A 38 4.027 7.100 1.053 1.00 0.00 N ATOM 568 CA ASP A 38 3.911 8.505 0.672 1.00 0.00 C ATOM 569 C ASP A 38 4.502 8.766 -0.708 1.00 0.00 C ATOM 570 O ASP A 38 5.501 8.160 -1.095 1.00 0.00 O ATOM 571 CB ASP A 38 4.611 9.392 1.702 1.00 0.00 C ATOM 572 CG ASP A 38 5.710 10.237 1.088 1.00 0.00 C ATOM 573 OD1 ASP A 38 6.484 9.698 0.269 1.00 0.00 O ATOM 574 OD2 ASP A 38 5.795 11.436 1.424 1.00 0.00 O ATOM 0 H ASP A 38 4.679 6.935 1.820 1.00 0.00 H new ATOM 0 HA ASP A 38 2.849 8.747 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.876 10.044 2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.034 8.766 2.488 1.00 0.00 H new ATOM 663 N TYR A 45 0.639 8.628 -3.304 1.00 0.00 N ATOM 664 CA TYR A 45 0.689 7.636 -2.236 1.00 0.00 C ATOM 665 C TYR A 45 0.373 6.254 -2.774 1.00 0.00 C ATOM 666 O TYR A 45 -0.473 6.101 -3.655 1.00 0.00 O ATOM 667 CB TYR A 45 -0.309 7.987 -1.130 1.00 0.00 C ATOM 668 CG TYR A 45 0.059 9.217 -0.336 1.00 0.00 C ATOM 669 CD1 TYR A 45 -0.296 10.484 -0.779 1.00 0.00 C ATOM 670 CD2 TYR A 45 0.756 9.110 0.859 1.00 0.00 C ATOM 671 CE1 TYR A 45 0.035 11.612 -0.053 1.00 0.00 C ATOM 672 CE2 TYR A 45 1.091 10.232 1.593 1.00 0.00 C ATOM 673 CZ TYR A 45 0.728 11.480 1.132 1.00 0.00 C ATOM 674 OH TYR A 45 1.060 12.600 1.859 1.00 0.00 O ATOM 0 HA TYR A 45 1.698 7.638 -1.825 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.292 8.136 -1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.393 7.140 -0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.840 10.590 -1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.041 8.134 1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.247 12.591 -0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.633 10.132 2.522 1.00 0.00 H new ATOM 0 HH TYR A 45 1.545 12.333 2.668 1.00 0.00 H new ATOM 684 N THR A 46 1.046 5.246 -2.239 1.00 0.00 N ATOM 685 CA THR A 46 0.805 3.879 -2.681 1.00 0.00 C ATOM 686 C THR A 46 0.409 2.990 -1.503 1.00 0.00 C ATOM 687 O THR A 46 0.910 3.166 -0.396 1.00 0.00 O ATOM 688 CB THR A 46 2.048 3.313 -3.373 1.00 0.00 C ATOM 689 OG1 THR A 46 1.680 2.462 -4.443 1.00 0.00 O ATOM 690 CG2 THR A 46 2.943 2.523 -2.444 1.00 0.00 C ATOM 0 H THR A 46 1.752 5.344 -1.510 1.00 0.00 H new ATOM 0 HA THR A 46 -0.019 3.894 -3.395 1.00 0.00 H new ATOM 0 HB THR A 46 2.601 4.181 -3.731 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.487 2.111 -4.874 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.805 2.151 -2.998 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.284 3.166 -1.633 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.386 1.682 -2.031 1.00 0.00 H new ATOM 698 N VAL A 47 -0.496 2.037 -1.737 1.00 0.00 N ATOM 699 CA VAL A 47 -0.935 1.146 -0.671 1.00 0.00 C ATOM 700 C VAL A 47 -0.557 -0.309 -0.940 1.00 0.00 C ATOM 701 O VAL A 47 -0.967 -0.898 -1.945 1.00 0.00 O ATOM 702 CB VAL A 47 -2.456 1.219 -0.436 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.854 0.322 0.732 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.908 2.656 -0.209 1.00 0.00 C ATOM 0 H VAL A 47 -0.932 1.867 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.416 1.494 0.222 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.961 0.857 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.931 0.383 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.577 -0.709 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.338 0.650 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.986 2.677 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.401 3.063 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.662 3.257 -1.084 1.00 0.00 H new ATOM 714 N SER A 48 0.209 -0.884 -0.014 1.00 0.00 N ATOM 715 CA SER A 48 0.637 -2.277 -0.106 1.00 0.00 C ATOM 716 C SER A 48 -0.368 -3.169 0.615 1.00 0.00 C ATOM 717 O SER A 48 -0.502 -3.094 1.835 1.00 0.00 O ATOM 718 CB SER A 48 2.031 -2.446 0.511 1.00 0.00 C ATOM 719 OG SER A 48 2.398 -1.298 1.257 1.00 0.00 O ATOM 0 H SER A 48 0.548 -0.399 0.817 1.00 0.00 H new ATOM 0 HA SER A 48 0.685 -2.567 -1.156 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.043 -3.323 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.763 -2.621 -0.277 1.00 0.00 H new ATOM 0 HG SER A 48 3.280 -0.986 0.965 1.00 0.00 H new ATOM 725 N VAL A 49 -1.089 -3.993 -0.143 1.00 0.00 N ATOM 726 CA VAL A 49 -2.095 -4.870 0.435 1.00 0.00 C ATOM 727 C VAL A 49 -1.727 -6.343 0.296 1.00 0.00 C ATOM 728 O VAL A 49 -1.113 -6.756 -0.688 1.00 0.00 O ATOM 729 CB VAL A 49 -3.467 -4.631 -0.203 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.583 -4.860 0.803 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.536 -3.235 -0.787 1.00 0.00 C ATOM 0 H VAL A 49 -0.993 -4.069 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.139 -4.627 1.497 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.602 -5.349 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.546 -4.684 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.541 -5.887 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.464 -4.174 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.516 -3.077 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.378 -2.502 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.764 -3.120 -1.548 1.00 0.00 H new ATOM 741 N PHE A 50 -2.109 -7.124 1.303 1.00 0.00 N ATOM 742 CA PHE A 50 -1.821 -8.552 1.319 1.00 0.00 C ATOM 743 C PHE A 50 -3.088 -9.372 1.541 1.00 0.00 C ATOM 744 O PHE A 50 -3.693 -9.317 2.618 1.00 0.00 O ATOM 745 CB PHE A 50 -0.798 -8.868 2.411 1.00 0.00 C ATOM 746 CG PHE A 50 -0.365 -10.307 2.437 1.00 0.00 C ATOM 747 CD1 PHE A 50 -0.931 -11.233 1.574 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.606 -10.732 3.327 1.00 0.00 C ATOM 749 CE1 PHE A 50 -0.533 -12.555 1.598 1.00 0.00 C ATOM 750 CE2 PHE A 50 1.007 -12.053 3.355 1.00 0.00 C ATOM 751 CZ PHE A 50 0.438 -12.966 2.490 1.00 0.00 C ATOM 0 H PHE A 50 -2.620 -6.789 2.120 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.409 -8.822 0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.079 -8.237 2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.223 -8.608 3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.691 -10.917 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.055 -10.023 4.007 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.980 -13.267 0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.766 -12.372 4.054 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.751 -13.999 2.511 1.00 0.00 H new ATOM 761 N THR A 51 -3.468 -10.141 0.519 1.00 0.00 N ATOM 762 CA THR A 51 -4.646 -10.990 0.578 1.00 0.00 C ATOM 763 C THR A 51 -4.241 -12.446 0.792 1.00 0.00 C ATOM 764 O THR A 51 -3.406 -12.979 0.061 1.00 0.00 O ATOM 765 CB THR A 51 -5.462 -10.859 -0.709 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.843 -11.026 -0.447 1.00 0.00 O ATOM 767 CG2 THR A 51 -5.071 -11.863 -1.771 1.00 0.00 C ATOM 0 H THR A 51 -2.966 -10.189 -0.367 1.00 0.00 H new ATOM 0 HA THR A 51 -5.261 -10.668 1.419 1.00 0.00 H new ATOM 0 HB THR A 51 -5.250 -9.858 -1.084 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.326 -11.129 -1.293 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.688 -11.715 -2.657 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.022 -11.726 -2.033 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.221 -12.873 -1.390 1.00 0.00 H new ATOM 775 N LYS A 52 -4.829 -13.085 1.799 1.00 0.00 N ATOM 776 CA LYS A 52 -4.515 -14.477 2.102 1.00 0.00 C ATOM 777 C LYS A 52 -5.656 -15.406 1.701 1.00 0.00 C ATOM 778 O LYS A 52 -6.790 -15.245 2.152 1.00 0.00 O ATOM 779 CB LYS A 52 -4.205 -14.644 3.590 1.00 0.00 C ATOM 780 CG LYS A 52 -3.168 -15.717 3.879 1.00 0.00 C ATOM 781 CD LYS A 52 -3.639 -16.668 4.968 1.00 0.00 C ATOM 782 CE LYS A 52 -4.347 -17.878 4.381 1.00 0.00 C ATOM 783 NZ LYS A 52 -3.616 -19.143 4.668 1.00 0.00 N ATOM 0 H LYS A 52 -5.523 -12.663 2.417 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.634 -14.750 1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.852 -13.693 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.126 -14.889 4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.961 -16.279 2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.233 -15.248 4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.785 -16.996 5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.313 -16.143 5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.356 -17.941 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.446 -17.753 3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.131 -19.944 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.662 -19.093 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.543 -19.276 5.697 1.00 0.00 H new ATOM 797 N ALA A 53 -5.343 -16.381 0.855 1.00 0.00 N ATOM 798 CA ALA A 53 -6.327 -17.343 0.393 1.00 0.00 C ATOM 799 C ALA A 53 -6.131 -18.693 1.077 1.00 0.00 C ATOM 800 O ALA A 53 -5.021 -19.037 1.480 1.00 0.00 O ATOM 801 CB ALA A 53 -6.250 -17.495 -1.118 1.00 0.00 C ATOM 0 H ALA A 53 -4.407 -16.523 0.475 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.317 -16.971 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.994 -18.220 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.445 -16.533 -1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.256 -17.842 -1.399 1.00 0.00 H new ATOM 885 N PRO A 59 -3.029 -17.158 -1.703 1.00 0.00 N ATOM 886 CA PRO A 59 -2.759 -15.890 -1.017 1.00 0.00 C ATOM 887 C PRO A 59 -1.796 -15.009 -1.801 1.00 0.00 C ATOM 888 O PRO A 59 -0.587 -15.246 -1.810 1.00 0.00 O ATOM 889 CB PRO A 59 -2.131 -16.317 0.319 1.00 0.00 C ATOM 890 CG PRO A 59 -1.798 -17.764 0.163 1.00 0.00 C ATOM 891 CD PRO A 59 -2.777 -18.311 -0.833 1.00 0.00 C ATOM 0 HA PRO A 59 -3.664 -15.295 -0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.238 -15.731 0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.825 -16.161 1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.774 -17.893 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.878 -18.287 1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.363 -19.154 -1.387 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.690 -18.663 -0.352 1.00 0.00 H new ATOM 899 N CYS A 60 -2.338 -13.991 -2.461 1.00 0.00 N ATOM 900 CA CYS A 60 -1.527 -13.075 -3.250 1.00 0.00 C ATOM 901 C CYS A 60 -1.580 -11.662 -2.679 1.00 0.00 C ATOM 902 O CYS A 60 -2.628 -11.018 -2.681 1.00 0.00 O ATOM 903 CB CYS A 60 -2.000 -13.067 -4.704 1.00 0.00 C ATOM 904 SG CYS A 60 -2.362 -14.708 -5.372 1.00 0.00 S ATOM 0 H CYS A 60 -3.336 -13.781 -2.464 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.494 -13.422 -3.210 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.895 -12.450 -4.780 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.235 -12.596 -5.321 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.757 -14.597 -6.606 1.00 0.00 H new ATOM 910 N ILE A 61 -0.436 -11.185 -2.201 1.00 0.00 N ATOM 911 CA ILE A 61 -0.340 -9.846 -1.637 1.00 0.00 C ATOM 912 C ILE A 61 -0.077 -8.827 -2.739 1.00 0.00 C ATOM 913 O ILE A 61 0.745 -9.062 -3.625 1.00 0.00 O ATOM 914 CB ILE A 61 0.782 -9.773 -0.583 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.400 -8.378 -0.544 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.845 -10.822 -0.872 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.130 -8.088 0.750 1.00 0.00 C ATOM 0 H ILE A 61 0.439 -11.708 -2.193 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.288 -9.615 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 61 0.348 -9.977 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.094 -8.271 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.615 -7.635 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.632 -10.760 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.394 -11.814 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.272 -10.645 -1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.546 -7.081 0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.434 -8.164 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.936 -8.810 0.883 1.00 0.00 H new ATOM 929 N LYS A 62 -0.790 -7.703 -2.704 1.00 0.00 N ATOM 930 CA LYS A 62 -0.625 -6.678 -3.731 1.00 0.00 C ATOM 931 C LYS A 62 -0.742 -5.268 -3.165 1.00 0.00 C ATOM 932 O LYS A 62 -1.400 -5.037 -2.149 1.00 0.00 O ATOM 933 CB LYS A 62 -1.662 -6.877 -4.839 1.00 0.00 C ATOM 934 CG LYS A 62 -2.742 -5.808 -4.859 1.00 0.00 C ATOM 935 CD LYS A 62 -3.656 -5.962 -6.063 1.00 0.00 C ATOM 936 CE LYS A 62 -4.256 -4.630 -6.481 1.00 0.00 C ATOM 937 NZ LYS A 62 -4.355 -3.683 -5.337 1.00 0.00 N ATOM 0 H LYS A 62 -1.479 -7.481 -1.985 1.00 0.00 H new ATOM 0 HA LYS A 62 0.380 -6.786 -4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.154 -6.887 -5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.131 -7.853 -4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.331 -5.867 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.279 -4.822 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.095 -6.386 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.455 -6.664 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.645 -4.187 -7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.247 -4.795 -6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.100 -2.983 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.589 -4.209 -4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.446 -3.195 -5.211 1.00 0.00 H new ATOM 951 N HIS A 63 -0.099 -4.326 -3.847 1.00 0.00 N ATOM 952 CA HIS A 63 -0.120 -2.927 -3.448 1.00 0.00 C ATOM 953 C HIS A 63 -0.727 -2.061 -4.550 1.00 0.00 C ATOM 954 O HIS A 63 -0.357 -2.185 -5.717 1.00 0.00 O ATOM 955 CB HIS A 63 1.299 -2.446 -3.137 1.00 0.00 C ATOM 956 CG HIS A 63 2.175 -3.510 -2.554 1.00 0.00 C ATOM 957 ND1 HIS A 63 1.988 -4.297 -1.465 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 3.395 -3.873 -3.080 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 3.084 -5.143 -1.319 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 3.899 -4.848 -2.313 1.00 0.00 N flip ATOM 0 H HIS A 63 0.448 -4.511 -4.688 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.735 -2.836 -2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.756 -2.071 -4.053 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.246 -1.608 -2.441 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.862 -3.447 -3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.235 -5.887 -0.551 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.797 -5.304 -2.476 1.00 0.00 H new ATOM 968 N TYR A 64 -1.637 -1.168 -4.177 1.00 0.00 N ATOM 969 CA TYR A 64 -2.253 -0.272 -5.159 1.00 0.00 C ATOM 970 C TYR A 64 -1.693 1.135 -5.033 1.00 0.00 C ATOM 971 O TYR A 64 -1.661 1.711 -3.942 1.00 0.00 O ATOM 972 CB TYR A 64 -3.787 -0.216 -5.056 1.00 0.00 C ATOM 973 CG TYR A 64 -4.361 -0.693 -3.752 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.686 -0.484 -2.574 1.00 0.00 C ATOM 975 CD2 TYR A 64 -5.582 -1.354 -3.704 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.200 -0.917 -1.374 1.00 0.00 C ATOM 977 CE2 TYR A 64 -6.103 -1.793 -2.506 1.00 0.00 C ATOM 978 CZ TYR A 64 -5.408 -1.573 -1.342 1.00 0.00 C ATOM 979 OH TYR A 64 -5.916 -2.014 -0.143 1.00 0.00 O ATOM 0 H TYR A 64 -1.963 -1.043 -3.219 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.005 -0.689 -6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.108 0.812 -5.221 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.211 -0.816 -5.862 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.736 0.029 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -6.131 -1.526 -4.618 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.655 -0.742 -0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.052 -2.307 -2.483 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.376 -2.869 -0.277 1.00 0.00 H new ATOM 989 N HIS A 65 -1.262 1.688 -6.160 1.00 0.00 N ATOM 990 CA HIS A 65 -0.718 3.032 -6.189 1.00 0.00 C ATOM 991 C HIS A 65 -1.849 4.050 -6.168 1.00 0.00 C ATOM 992 O HIS A 65 -2.617 4.154 -7.125 1.00 0.00 O ATOM 993 CB HIS A 65 0.142 3.230 -7.436 1.00 0.00 C ATOM 994 CG HIS A 65 0.716 4.602 -7.538 1.00 0.00 C ATOM 995 ND1 HIS A 65 0.551 5.425 -8.629 1.00 0.00 N ATOM 996 CD2 HIS A 65 1.456 5.302 -6.645 1.00 0.00 C ATOM 997 CE1 HIS A 65 1.184 6.576 -8.369 1.00 0.00 C ATOM 998 NE2 HIS A 65 1.748 6.552 -7.176 1.00 0.00 N ATOM 0 H HIS A 65 -1.281 1.221 -7.067 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.093 3.176 -5.308 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.954 2.502 -7.430 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.460 3.028 -8.322 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.769 4.945 -5.675 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.227 7.415 -9.048 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.287 7.297 -6.735 1.00 0.00 H new ATOM 1006 N ILE A 66 -1.961 4.787 -5.072 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.017 5.777 -4.933 1.00 0.00 C ATOM 1008 C ILE A 66 -2.764 6.988 -5.823 1.00 0.00 C ATOM 1009 O ILE A 66 -1.690 7.582 -5.775 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.172 6.243 -3.469 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -3.404 5.041 -2.553 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.319 7.234 -3.345 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -2.168 4.611 -1.795 1.00 0.00 C ATOM 0 H ILE A 66 -1.336 4.718 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.941 5.292 -5.246 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.252 6.741 -3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.191 5.285 -1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.764 4.203 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.414 7.552 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.120 8.102 -3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.246 6.759 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.407 3.754 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.385 4.335 -2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.820 5.434 -1.170 1.00 0.00 H new ATOM 1025 N LYS A 67 -3.758 7.364 -6.635 1.00 0.00 N ATOM 1026 CA LYS A 67 -3.607 8.515 -7.509 1.00 0.00 C ATOM 1027 C LYS A 67 -4.260 9.736 -6.871 1.00 0.00 C ATOM 1028 O LYS A 67 -5.192 9.605 -6.076 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.217 8.226 -8.884 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.281 6.742 -9.218 1.00 0.00 C ATOM 1031 CD LYS A 67 -2.928 6.204 -9.650 1.00 0.00 C ATOM 1032 CE LYS A 67 -2.192 7.195 -10.534 1.00 0.00 C ATOM 1033 NZ LYS A 67 -2.931 7.467 -11.798 1.00 0.00 N ATOM 0 H LYS A 67 -4.660 6.892 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.546 8.720 -7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.223 8.643 -8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.631 8.738 -9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.632 6.188 -8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.008 6.579 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.325 5.983 -8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.063 5.266 -10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.047 8.128 -9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.201 6.806 -10.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.282 7.377 -12.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.708 6.783 -11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.320 8.431 -11.772 1.00 0.00 H new ATOM 1047 N GLU A 68 -3.755 10.915 -7.211 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.278 12.162 -6.665 1.00 0.00 C ATOM 1049 C GLU A 68 -5.022 12.954 -7.737 1.00 0.00 C ATOM 1050 O GLU A 68 -4.784 12.775 -8.931 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.141 13.008 -6.091 1.00 0.00 C ATOM 1052 CG GLU A 68 -3.615 14.110 -5.158 1.00 0.00 C ATOM 1053 CD GLU A 68 -2.472 14.777 -4.415 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -1.542 14.061 -3.993 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -2.510 16.015 -4.259 1.00 0.00 O ATOM 0 H GLU A 68 -2.981 11.034 -7.865 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.978 11.915 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.452 12.358 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.581 13.455 -6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.156 14.861 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.318 13.693 -4.437 1.00 0.00 H new ATOM 1062 N THR A 69 -5.918 13.835 -7.303 1.00 0.00 N ATOM 1063 CA THR A 69 -6.684 14.655 -8.230 1.00 0.00 C ATOM 1064 C THR A 69 -6.787 16.093 -7.732 1.00 0.00 C ATOM 1065 O THR A 69 -6.097 16.486 -6.791 1.00 0.00 O ATOM 1066 CB THR A 69 -8.083 14.071 -8.430 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.078 15.045 -8.159 1.00 0.00 O ATOM 1068 CG2 THR A 69 -8.363 12.870 -7.553 1.00 0.00 C ATOM 0 H THR A 69 -6.130 13.998 -6.319 1.00 0.00 H new ATOM 0 HA THR A 69 -6.160 14.658 -9.186 1.00 0.00 H new ATOM 0 HB THR A 69 -8.116 13.753 -9.472 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.966 14.652 -8.294 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.372 12.506 -7.746 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.644 12.081 -7.776 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.275 13.156 -6.505 1.00 0.00 H new ATOM 1149 N ARG A 75 -9.419 13.384 -3.801 1.00 0.00 N ATOM 1150 CA ARG A 75 -8.053 13.678 -4.225 1.00 0.00 C ATOM 1151 C ARG A 75 -7.152 12.445 -4.235 1.00 0.00 C ATOM 1152 O ARG A 75 -5.973 12.551 -4.571 1.00 0.00 O ATOM 1153 CB ARG A 75 -7.442 14.735 -3.310 1.00 0.00 C ATOM 1154 CG ARG A 75 -7.938 16.143 -3.590 1.00 0.00 C ATOM 1155 CD ARG A 75 -8.928 16.608 -2.535 1.00 0.00 C ATOM 1156 NE ARG A 75 -8.871 15.779 -1.334 1.00 0.00 N ATOM 1157 CZ ARG A 75 -8.527 16.243 -0.135 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -8.223 17.524 0.024 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -8.486 15.424 0.907 1.00 0.00 N ATOM 0 HA ARG A 75 -8.117 14.044 -5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.665 14.480 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.357 14.713 -3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.091 16.828 -3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.410 16.174 -4.572 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.718 17.645 -2.271 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.937 16.582 -2.947 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.108 14.790 -1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.252 18.158 -0.774 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.960 17.875 0.945 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.718 14.438 0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.222 15.780 1.826 1.00 0.00 H new ATOM 1173 N TYR A 76 -7.674 11.291 -3.837 1.00 0.00 N ATOM 1174 CA TYR A 76 -6.857 10.088 -3.788 1.00 0.00 C ATOM 1175 C TYR A 76 -7.424 8.961 -4.623 1.00 0.00 C ATOM 1176 O TYR A 76 -8.636 8.837 -4.799 1.00 0.00 O ATOM 1177 CB TYR A 76 -6.688 9.645 -2.353 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.152 10.752 -1.488 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -6.697 12.024 -1.566 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.093 10.543 -0.620 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.207 13.058 -0.807 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -4.590 11.573 0.148 1.00 0.00 C ATOM 1183 CZ TYR A 76 -5.150 12.832 0.050 1.00 0.00 C ATOM 1184 OH TYR A 76 -4.653 13.865 0.813 1.00 0.00 O ATOM 0 H TYR A 76 -8.644 11.164 -3.548 1.00 0.00 H new ATOM 0 HA TYR A 76 -5.886 10.337 -4.217 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.648 9.309 -1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.011 8.792 -2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.523 12.205 -2.237 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.654 9.559 -0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.646 14.042 -0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.764 11.396 0.821 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.911 13.538 1.363 1.00 0.00 H new ATOM 1194 N TYR A 77 -6.514 8.170 -5.169 1.00 0.00 N ATOM 1195 CA TYR A 77 -6.872 7.065 -6.040 1.00 0.00 C ATOM 1196 C TYR A 77 -6.174 5.758 -5.731 1.00 0.00 C ATOM 1197 O TYR A 77 -4.958 5.706 -5.647 1.00 0.00 O ATOM 1198 CB TYR A 77 -6.403 7.402 -7.436 1.00 0.00 C ATOM 1199 CG TYR A 77 -7.452 7.858 -8.375 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.843 9.177 -8.376 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -8.018 6.983 -9.291 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -8.784 9.630 -9.265 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -8.957 7.425 -10.190 1.00 0.00 C ATOM 1204 CZ TYR A 77 -9.341 8.752 -10.178 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.282 9.201 -11.075 1.00 0.00 O ATOM 0 H TYR A 77 -5.510 8.276 -5.021 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.947 6.938 -5.913 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.642 8.179 -7.366 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.921 6.521 -7.860 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.404 9.864 -7.668 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.718 5.946 -9.297 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.089 10.666 -9.253 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.393 6.740 -10.902 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.570 8.458 -11.646 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.942 4.689 -5.762 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.395 3.349 -5.684 1.00 0.00 C ATOM 1217 C VAL A 78 -7.371 2.477 -6.444 1.00 0.00 C ATOM 1218 O VAL A 78 -7.829 1.425 -6.002 1.00 0.00 O ATOM 1219 CB VAL A 78 -6.184 2.851 -4.236 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -6.661 3.890 -3.240 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.876 1.516 -4.001 1.00 0.00 C ATOM 0 H VAL A 78 -7.958 4.723 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.394 3.319 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.115 2.697 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.504 3.521 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.100 4.814 -3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.722 4.083 -3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.707 1.195 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.946 1.625 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.471 0.771 -4.685 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.665 2.996 -7.623 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.572 2.407 -8.579 1.00 0.00 C ATOM 1233 C ALA A 79 -8.750 3.413 -9.711 1.00 0.00 C ATOM 1234 O ALA A 79 -8.478 4.594 -9.523 1.00 0.00 O ATOM 1235 CB ALA A 79 -9.902 2.067 -7.927 1.00 0.00 C ATOM 0 H ALA A 79 -7.260 3.874 -7.949 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.169 1.471 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.568 1.625 -8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.739 1.357 -7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.355 2.975 -7.529 1.00 0.00 H new ATOM 1241 N GLU A 80 -9.218 2.984 -10.859 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.428 3.914 -11.959 1.00 0.00 C ATOM 1243 C GLU A 80 -10.895 4.292 -12.061 1.00 0.00 C ATOM 1244 O GLU A 80 -11.585 3.965 -13.027 1.00 0.00 O ATOM 1245 CB GLU A 80 -8.912 3.339 -13.275 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.090 4.328 -14.086 1.00 0.00 C ATOM 1247 CD GLU A 80 -6.757 4.650 -13.437 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -5.930 3.727 -13.287 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -6.541 5.827 -13.078 1.00 0.00 O ATOM 0 H GLU A 80 -9.459 2.014 -11.061 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.857 4.819 -11.754 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.304 2.459 -13.065 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.759 3.005 -13.874 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.916 3.920 -15.082 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.659 5.249 -14.214 1.00 0.00 H new ATOM 1256 N LYS A 81 -11.339 4.988 -11.033 1.00 0.00 N ATOM 1257 CA LYS A 81 -12.707 5.457 -10.917 1.00 0.00 C ATOM 1258 C LYS A 81 -13.013 5.700 -9.447 1.00 0.00 C ATOM 1259 O LYS A 81 -13.914 6.463 -9.099 1.00 0.00 O ATOM 1260 CB LYS A 81 -13.691 4.453 -11.529 1.00 0.00 C ATOM 1261 CG LYS A 81 -13.688 3.092 -10.854 1.00 0.00 C ATOM 1262 CD LYS A 81 -14.842 2.964 -9.875 1.00 0.00 C ATOM 1263 CE LYS A 81 -14.679 3.922 -8.713 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.471 3.501 -7.524 1.00 0.00 N ATOM 0 H LYS A 81 -10.750 5.248 -10.242 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.821 6.388 -11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.697 4.870 -11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.452 4.324 -12.585 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.759 2.308 -11.608 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.744 2.945 -10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.782 3.166 -10.388 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.895 1.941 -9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.625 3.986 -8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.990 4.920 -9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.625 4.320 -6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.389 3.124 -7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.952 2.765 -7.004 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.223 5.054 -8.589 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.364 5.197 -7.145 1.00 0.00 C ATOM 1280 C TYR A 82 -11.387 6.252 -6.635 1.00 0.00 C ATOM 1281 O TYR A 82 -10.203 5.974 -6.441 1.00 0.00 O ATOM 1282 CB TYR A 82 -12.095 3.869 -6.425 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.770 2.666 -7.051 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.439 2.238 -8.332 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -13.732 1.950 -6.350 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -13.049 1.136 -8.896 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -14.347 0.845 -6.907 1.00 0.00 C ATOM 1288 CZ TYR A 82 -14.002 0.442 -8.181 1.00 0.00 C ATOM 1289 OH TYR A 82 -14.612 -0.658 -8.738 1.00 0.00 O ATOM 0 H TYR A 82 -11.474 4.423 -8.875 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.389 5.503 -6.935 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.019 3.695 -6.402 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.426 3.958 -5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.692 2.777 -8.895 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.004 2.262 -5.353 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.781 0.819 -9.893 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.093 0.300 -6.348 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.257 -1.031 -8.102 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.886 7.460 -6.426 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.063 8.556 -5.949 1.00 0.00 C ATOM 1301 C VAL A 83 -11.606 9.093 -4.637 1.00 0.00 C ATOM 1302 O VAL A 83 -12.821 9.189 -4.457 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.010 9.689 -6.983 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -9.720 10.481 -6.843 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -11.160 9.122 -8.389 1.00 0.00 C ATOM 0 H VAL A 83 -12.864 7.705 -6.581 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.054 8.174 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.840 10.372 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.701 11.280 -7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.665 10.912 -5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.868 9.820 -7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.121 9.934 -9.115 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.350 8.420 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.116 8.606 -8.473 1.00 0.00 H new ATOM 1315 N PHE A 84 -10.715 9.432 -3.712 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.151 9.945 -2.416 1.00 0.00 C ATOM 1317 C PHE A 84 -10.174 10.969 -1.842 1.00 0.00 C ATOM 1318 O PHE A 84 -8.975 10.921 -2.112 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.345 8.783 -1.447 1.00 0.00 C ATOM 1320 CG PHE A 84 -11.890 7.552 -2.117 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.087 6.786 -2.947 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.207 7.169 -1.923 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -11.588 5.660 -3.570 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -13.713 6.043 -2.543 1.00 0.00 C ATOM 1325 CZ PHE A 84 -12.903 5.288 -3.368 1.00 0.00 C ATOM 0 H PHE A 84 -9.704 9.363 -3.830 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.099 10.462 -2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.391 8.544 -0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.024 9.089 -0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.058 7.073 -3.108 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -13.845 7.757 -1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.952 5.071 -4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -14.741 5.753 -2.383 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.297 4.408 -3.855 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.705 11.890 -1.040 1.00 0.00 N ATOM 1336 CA ASP A 85 -9.899 12.927 -0.411 1.00 0.00 C ATOM 1337 C ASP A 85 -9.202 12.380 0.827 1.00 0.00 C ATOM 1338 O ASP A 85 -8.575 13.121 1.585 1.00 0.00 O ATOM 1339 CB ASP A 85 -10.771 14.126 -0.035 1.00 0.00 C ATOM 1340 CG ASP A 85 -12.232 13.753 0.117 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -12.880 13.457 -0.910 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -12.729 13.755 1.263 1.00 0.00 O ATOM 0 H ASP A 85 -11.698 11.936 -0.811 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.142 13.254 -1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.410 14.556 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.673 14.897 -0.799 1.00 0.00 H new ATOM 1347 N SER A 86 -9.324 11.076 1.022 1.00 0.00 N ATOM 1348 CA SER A 86 -8.723 10.404 2.158 1.00 0.00 C ATOM 1349 C SER A 86 -8.335 8.986 1.775 1.00 0.00 C ATOM 1350 O SER A 86 -9.194 8.142 1.529 1.00 0.00 O ATOM 1351 CB SER A 86 -9.694 10.381 3.340 1.00 0.00 C ATOM 1352 OG SER A 86 -9.389 11.406 4.271 1.00 0.00 O ATOM 0 H SER A 86 -9.841 10.457 0.398 1.00 0.00 H new ATOM 0 HA SER A 86 -7.828 10.951 2.454 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.715 10.506 2.979 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.647 9.411 3.834 1.00 0.00 H new ATOM 0 HG SER A 86 -10.025 11.371 5.016 1.00 0.00 H new ATOM 1358 N ILE A 87 -7.039 8.724 1.727 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.563 7.401 1.373 1.00 0.00 C ATOM 1360 C ILE A 87 -7.136 6.381 2.346 1.00 0.00 C ATOM 1361 O ILE A 87 -7.530 5.276 1.962 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.024 7.341 1.396 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.493 6.718 0.105 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.538 6.567 2.607 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.872 7.727 -0.835 1.00 0.00 C ATOM 0 H ILE A 87 -6.306 9.404 1.927 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.895 7.172 0.360 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.640 8.359 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.751 5.959 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.310 6.209 -0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.448 6.536 2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.886 7.058 3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.930 5.551 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.516 7.218 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.617 8.472 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.035 8.219 -0.340 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.228 6.764 3.623 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.788 5.911 4.670 1.00 0.00 C ATOM 1379 C PRO A 88 -9.277 5.693 4.448 1.00 0.00 C ATOM 1380 O PRO A 88 -9.765 4.560 4.476 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.545 6.706 5.959 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.575 7.780 5.588 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.819 8.072 4.142 1.00 0.00 C ATOM 0 HA PRO A 88 -7.336 4.920 4.692 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.474 7.130 6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.142 6.067 6.744 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.727 8.671 6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.548 7.453 5.752 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.595 8.825 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.923 8.444 3.646 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.991 6.782 4.171 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.412 6.692 3.884 1.00 0.00 C ATOM 1393 C LEU A 89 -11.555 5.921 2.600 1.00 0.00 C ATOM 1394 O LEU A 89 -12.360 4.995 2.480 1.00 0.00 O ATOM 1395 CB LEU A 89 -12.033 8.085 3.752 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.653 8.415 2.390 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.571 8.797 1.394 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.477 7.246 1.869 1.00 0.00 C ATOM 0 H LEU A 89 -9.609 7.727 4.140 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.935 6.189 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.803 8.192 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.264 8.826 3.969 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.322 9.266 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.028 9.028 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.032 9.671 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.876 7.966 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.906 7.506 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.837 6.370 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.279 7.023 2.573 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.701 6.283 1.659 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.646 5.612 0.387 1.00 0.00 C ATOM 1412 C LEU A 90 -10.340 4.151 0.670 1.00 0.00 C ATOM 1413 O LEU A 90 -10.966 3.240 0.110 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.571 6.261 -0.479 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.719 5.307 -1.298 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.192 6.020 -2.533 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.577 4.767 -0.454 1.00 0.00 C ATOM 0 H LEU A 90 -10.033 7.047 1.761 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.587 5.688 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.053 6.963 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.913 6.843 0.166 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.330 4.464 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.581 5.332 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.030 6.366 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.587 6.874 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.974 4.084 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.956 5.594 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.981 4.235 0.407 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.420 3.941 1.617 1.00 0.00 N ATOM 1430 CA ILE A 91 -9.083 2.600 2.051 1.00 0.00 C ATOM 1431 C ILE A 91 -10.348 1.961 2.589 1.00 0.00 C ATOM 1432 O ILE A 91 -10.697 0.835 2.235 1.00 0.00 O ATOM 1433 CB ILE A 91 -8.039 2.594 3.188 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.609 2.692 2.659 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -8.201 1.333 4.018 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.422 2.120 1.275 1.00 0.00 C ATOM 0 H ILE A 91 -8.904 4.683 2.089 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.663 2.063 1.200 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.215 3.474 3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.307 3.739 2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.942 2.173 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.464 1.329 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.203 1.305 4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.052 0.459 3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.380 2.229 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.690 1.063 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.061 2.654 0.571 1.00 0.00 H new ATOM 1448 N GLN A 92 -11.049 2.718 3.438 1.00 0.00 N ATOM 1449 CA GLN A 92 -12.298 2.254 4.017 1.00 0.00 C ATOM 1450 C GLN A 92 -13.317 2.010 2.919 1.00 0.00 C ATOM 1451 O GLN A 92 -14.111 1.070 2.982 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.837 3.276 5.019 1.00 0.00 C ATOM 1453 CG GLN A 92 -11.875 3.581 6.157 1.00 0.00 C ATOM 1454 CD GLN A 92 -11.913 5.036 6.579 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -13.037 5.697 6.324 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -10.945 5.560 7.130 1.00 0.00 N flip ATOM 0 H GLN A 92 -10.767 3.652 3.735 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.112 1.319 4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.068 4.202 4.492 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.773 2.904 5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.120 2.952 7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.862 3.322 5.850 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.101 5.014 7.306 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.986 6.540 7.410 1.00 0.00 H new ATOM 1465 N TYR A 93 -13.281 2.866 1.906 1.00 0.00 N ATOM 1466 CA TYR A 93 -14.192 2.758 0.779 1.00 0.00 C ATOM 1467 C TYR A 93 -13.886 1.518 -0.044 1.00 0.00 C ATOM 1468 O TYR A 93 -14.784 0.746 -0.382 1.00 0.00 O ATOM 1469 CB TYR A 93 -14.115 4.003 -0.105 1.00 0.00 C ATOM 1470 CG TYR A 93 -15.092 3.980 -1.260 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -16.392 4.444 -1.105 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -14.714 3.493 -2.506 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -17.287 4.424 -2.157 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -15.603 3.470 -3.564 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.889 3.936 -3.383 1.00 0.00 C ATOM 1476 OH TYR A 93 -17.778 3.915 -4.433 1.00 0.00 O ATOM 0 H TYR A 93 -12.626 3.646 1.844 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.204 2.674 1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.306 4.886 0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.102 4.099 -0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -16.708 4.827 -0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.708 3.126 -2.650 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -18.294 4.789 -2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.293 3.090 -4.526 1.00 0.00 H new ATOM 0 HH TYR A 93 -17.339 3.542 -5.226 1.00 0.00 H new ATOM 1486 N HIS A 94 -12.614 1.335 -0.363 1.00 0.00 N ATOM 1487 CA HIS A 94 -12.196 0.178 -1.150 1.00 0.00 C ATOM 1488 C HIS A 94 -12.673 -1.114 -0.501 1.00 0.00 C ATOM 1489 O HIS A 94 -12.628 -2.178 -1.114 1.00 0.00 O ATOM 1490 CB HIS A 94 -10.676 0.162 -1.321 1.00 0.00 C ATOM 1491 CG HIS A 94 -10.197 1.178 -2.300 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -10.306 1.224 -3.649 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -9.534 2.324 -1.928 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -9.714 2.390 -4.064 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -9.255 3.035 -3.008 1.00 0.00 N flip ATOM 0 H HIS A 94 -11.858 1.964 -0.094 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.652 0.255 -2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -10.204 0.343 -0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.362 -0.829 -1.649 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.746 0.523 -4.245 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.281 2.600 -0.915 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.636 2.725 -5.088 1.00 0.00 H new ATOM 1504 N GLN A 95 -13.138 -1.008 0.741 1.00 0.00 N ATOM 1505 CA GLN A 95 -13.635 -2.167 1.475 1.00 0.00 C ATOM 1506 C GLN A 95 -15.100 -1.984 1.844 1.00 0.00 C ATOM 1507 O GLN A 95 -15.880 -2.936 1.842 1.00 0.00 O ATOM 1508 CB GLN A 95 -12.802 -2.392 2.738 1.00 0.00 C ATOM 1509 CG GLN A 95 -12.659 -1.149 3.601 1.00 0.00 C ATOM 1510 CD GLN A 95 -11.590 -1.300 4.666 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -10.608 -0.405 4.650 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -11.645 -2.209 5.494 1.00 0.00 N flip ATOM 0 H GLN A 95 -13.181 -0.131 1.260 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.547 -3.042 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.261 -3.184 3.330 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.810 -2.742 2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.417 -0.296 2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.614 -0.930 4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.417 -2.875 5.470 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.918 -2.296 6.204 1.00 0.00 H new ATOM 1521 N TYR A 96 -15.464 -0.751 2.161 1.00 0.00 N ATOM 1522 CA TYR A 96 -16.834 -0.426 2.535 1.00 0.00 C ATOM 1523 C TYR A 96 -17.750 -0.444 1.315 1.00 0.00 C ATOM 1524 O TYR A 96 -18.970 -0.342 1.440 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.890 0.946 3.208 1.00 0.00 C ATOM 1526 CG TYR A 96 -18.277 1.547 3.246 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -19.317 0.900 3.899 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -18.547 2.760 2.624 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -20.587 1.446 3.936 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -19.813 3.312 2.656 1.00 0.00 C ATOM 1531 CZ TYR A 96 -20.828 2.651 3.313 1.00 0.00 C ATOM 1532 OH TYR A 96 -22.091 3.198 3.346 1.00 0.00 O ATOM 0 H TYR A 96 -14.827 0.046 2.167 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.181 -1.183 3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.514 0.857 4.227 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -16.222 1.627 2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -19.131 -0.046 4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -17.754 3.280 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -21.385 0.931 4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -20.006 4.256 2.169 1.00 0.00 H new ATOM 0 HH TYR A 96 -22.092 4.049 2.861 1.00 0.00 H new ATOM 1542 N ASN A 97 -17.152 -0.577 0.135 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.909 -0.610 -1.106 1.00 0.00 C ATOM 1544 C ASN A 97 -17.444 -1.759 -1.997 1.00 0.00 C ATOM 1545 O ASN A 97 -16.619 -2.577 -1.591 1.00 0.00 O ATOM 1546 CB ASN A 97 -17.772 0.719 -1.850 1.00 0.00 C ATOM 1547 CG ASN A 97 -16.692 0.677 -2.916 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -16.934 0.242 -4.041 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -15.496 1.129 -2.563 1.00 0.00 N ATOM 0 H ASN A 97 -16.143 -0.664 0.015 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.958 -0.770 -0.857 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.726 0.973 -2.313 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.543 1.510 -1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.730 1.125 -3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.342 1.481 -1.618 1.00 0.00 H new ATOM 1556 N GLY A 98 -17.981 -1.811 -3.212 1.00 0.00 N ATOM 1557 CA GLY A 98 -17.608 -2.863 -4.140 1.00 0.00 C ATOM 1558 C GLY A 98 -16.201 -2.690 -4.676 1.00 0.00 C ATOM 1559 O GLY A 98 -15.965 -2.815 -5.879 1.00 0.00 O ATOM 0 H GLY A 98 -18.666 -1.145 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -17.687 -3.829 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.312 -2.876 -4.972 1.00 0.00 H new ATOM 1563 N GLY A 99 -15.261 -2.403 -3.782 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.881 -2.217 -4.187 1.00 0.00 C ATOM 1565 C GLY A 99 -13.406 -3.290 -5.148 1.00 0.00 C ATOM 1566 O GLY A 99 -13.711 -4.469 -4.973 1.00 0.00 O ATOM 0 H GLY A 99 -15.431 -2.296 -2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.773 -1.240 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.243 -2.218 -3.303 1.00 0.00 H new ATOM 1570 N GLY A 100 -12.657 -2.878 -6.168 1.00 0.00 N ATOM 1571 CA GLY A 100 -12.149 -3.823 -7.145 1.00 0.00 C ATOM 1572 C GLY A 100 -10.737 -4.273 -6.834 1.00 0.00 C ATOM 1573 O GLY A 100 -10.367 -5.416 -7.101 1.00 0.00 O ATOM 0 H GLY A 100 -12.394 -1.907 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.805 -4.693 -7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.172 -3.366 -8.134 1.00 0.00 H new ATOM 1577 N LEU A 101 -9.945 -3.367 -6.271 1.00 0.00 N ATOM 1578 CA LEU A 101 -8.559 -3.664 -5.923 1.00 0.00 C ATOM 1579 C LEU A 101 -8.435 -5.011 -5.216 1.00 0.00 C ATOM 1580 O LEU A 101 -9.356 -5.827 -5.240 1.00 0.00 O ATOM 1581 CB LEU A 101 -7.990 -2.559 -5.030 1.00 0.00 C ATOM 1582 CG LEU A 101 -8.774 -2.291 -3.744 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -10.224 -1.955 -4.056 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -8.693 -3.492 -2.816 1.00 0.00 C ATOM 0 H LEU A 101 -10.240 -2.417 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.989 -3.713 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.966 -2.820 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.944 -1.636 -5.607 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.327 -1.433 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -10.762 -1.768 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.264 -1.065 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.686 -2.791 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.255 -3.287 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -9.114 -4.365 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.651 -3.686 -2.563 1.00 0.00 H new ATOM 1596 N VAL A 102 -7.281 -5.235 -4.593 1.00 0.00 N ATOM 1597 CA VAL A 102 -7.018 -6.481 -3.880 1.00 0.00 C ATOM 1598 C VAL A 102 -8.020 -6.702 -2.752 1.00 0.00 C ATOM 1599 O VAL A 102 -8.032 -5.967 -1.766 1.00 0.00 O ATOM 1600 CB VAL A 102 -5.593 -6.500 -3.293 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -5.267 -5.167 -2.640 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -5.440 -7.640 -2.297 1.00 0.00 C ATOM 0 H VAL A 102 -6.511 -4.567 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.119 -7.285 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.887 -6.662 -4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.257 -5.199 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.332 -4.372 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.977 -4.972 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.427 -7.637 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.155 -7.512 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -5.628 -8.589 -2.799 1.00 0.00 H new ATOM 1612 N THR A 103 -8.853 -7.727 -2.905 1.00 0.00 N ATOM 1613 CA THR A 103 -9.859 -8.057 -1.902 1.00 0.00 C ATOM 1614 C THR A 103 -10.176 -6.855 -1.018 1.00 0.00 C ATOM 1615 O THR A 103 -10.372 -6.994 0.189 1.00 0.00 O ATOM 1616 CB THR A 103 -9.383 -9.226 -1.039 1.00 0.00 C ATOM 1617 OG1 THR A 103 -10.353 -9.557 -0.061 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.082 -8.946 -0.317 1.00 0.00 C ATOM 0 H THR A 103 -8.851 -8.345 -3.717 1.00 0.00 H new ATOM 0 HA THR A 103 -10.771 -8.344 -2.426 1.00 0.00 H new ATOM 0 HB THR A 103 -9.225 -10.051 -1.734 1.00 0.00 H new ATOM 0 HG1 THR A 103 -10.628 -8.746 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.801 -9.816 0.277 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.299 -8.736 -1.046 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.208 -8.084 0.338 1.00 0.00 H new ATOM 1626 N ARG A 104 -10.230 -5.677 -1.627 1.00 0.00 N ATOM 1627 CA ARG A 104 -10.531 -4.450 -0.897 1.00 0.00 C ATOM 1628 C ARG A 104 -9.680 -4.336 0.365 1.00 0.00 C ATOM 1629 O ARG A 104 -9.197 -5.338 0.891 1.00 0.00 O ATOM 1630 CB ARG A 104 -12.010 -4.417 -0.514 1.00 0.00 C ATOM 1631 CG ARG A 104 -12.950 -4.443 -1.710 1.00 0.00 C ATOM 1632 CD ARG A 104 -14.396 -4.247 -1.286 1.00 0.00 C ATOM 1633 NE ARG A 104 -14.614 -4.620 0.108 1.00 0.00 N ATOM 1634 CZ ARG A 104 -14.305 -5.811 0.609 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -13.768 -6.742 -0.169 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -14.534 -6.075 1.888 1.00 0.00 N ATOM 0 H ARG A 104 -10.069 -5.544 -2.625 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.300 -3.608 -1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -12.229 -5.270 0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.205 -3.518 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.667 -3.660 -2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.849 -5.394 -2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -14.678 -3.204 -1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -15.045 -4.844 -1.926 1.00 0.00 H new ATOM 0 HE ARG A 104 -15.027 -3.927 0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.592 -6.544 -1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.532 -7.656 0.218 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.948 -5.363 2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.296 -6.990 2.270 1.00 0.00 H new ATOM 1650 N LEU A 105 -9.517 -3.111 0.860 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.745 -2.887 2.077 1.00 0.00 C ATOM 1652 C LEU A 105 -9.328 -3.736 3.198 1.00 0.00 C ATOM 1653 O LEU A 105 -10.467 -3.531 3.613 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.766 -1.405 2.466 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.692 -0.532 1.808 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -6.306 -0.879 2.341 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -7.739 -0.682 0.296 1.00 0.00 C ATOM 0 H LEU A 105 -9.906 -2.266 0.441 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.708 -3.174 1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.745 -0.996 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.657 -1.330 3.548 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.898 0.509 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.562 -0.246 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.279 -0.715 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.086 -1.925 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.970 -0.055 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.562 -1.724 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.719 -0.375 -0.070 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.561 -4.716 3.660 1.00 0.00 N ATOM 1670 CA ARG A 106 -9.033 -5.615 4.701 1.00 0.00 C ATOM 1671 C ARG A 106 -8.317 -5.404 6.030 1.00 0.00 C ATOM 1672 O ARG A 106 -8.913 -4.940 7.002 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.854 -7.065 4.249 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.112 -8.082 5.348 1.00 0.00 C ATOM 1675 CD ARG A 106 -10.598 -8.247 5.616 1.00 0.00 C ATOM 1676 NE ARG A 106 -10.877 -9.396 6.474 1.00 0.00 N ATOM 1677 CZ ARG A 106 -10.939 -9.328 7.799 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -10.745 -8.170 8.415 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -11.196 -10.416 8.510 1.00 0.00 N ATOM 0 H ARG A 106 -7.614 -4.906 3.331 1.00 0.00 H new ATOM 0 HA ARG A 106 -10.088 -5.393 4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.529 -7.263 3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.839 -7.197 3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.684 -9.043 5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.609 -7.767 6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.984 -7.342 6.086 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.126 -8.365 4.670 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.033 -10.301 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.548 -7.330 7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.793 -8.119 9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.347 -11.309 8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.243 -10.361 9.527 1.00 0.00 H new ATOM 1693 N TYR A 107 -7.049 -5.784 6.073 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.257 -5.674 7.292 1.00 0.00 C ATOM 1695 C TYR A 107 -5.032 -4.787 7.102 1.00 0.00 C ATOM 1696 O TYR A 107 -4.262 -4.959 6.158 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.804 -7.065 7.737 1.00 0.00 C ATOM 1698 CG TYR A 107 -5.173 -7.090 9.111 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -5.721 -6.361 10.160 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -4.032 -7.841 9.358 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -5.146 -6.381 11.417 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -3.452 -7.865 10.613 1.00 0.00 C ATOM 1703 CZ TYR A 107 -4.013 -7.133 11.638 1.00 0.00 C ATOM 1704 OH TYR A 107 -3.438 -7.156 12.888 1.00 0.00 O ATOM 0 H TYR A 107 -6.544 -6.172 5.276 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.889 -5.216 8.053 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.663 -7.736 7.729 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -5.089 -7.454 7.012 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.609 -5.770 9.991 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.590 -8.416 8.557 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.583 -5.810 12.222 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.564 -8.454 10.789 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.648 -7.735 12.874 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.838 -3.824 8.013 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.716 -2.904 7.981 1.00 0.00 C ATOM 1716 C PRO A 108 -2.525 -3.424 8.784 1.00 0.00 C ATOM 1717 O PRO A 108 -2.522 -3.359 10.013 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.290 -1.644 8.639 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.592 -2.046 9.272 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.700 -3.544 9.156 1.00 0.00 C ATOM 0 HA PRO A 108 -3.336 -2.747 6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.602 -1.249 9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.445 -0.857 7.901 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.623 -1.738 10.317 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.429 -1.560 8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.357 -4.049 10.059 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.726 -3.867 8.981 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.521 -3.946 8.088 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.337 -4.477 8.747 1.00 0.00 C ATOM 1730 C VAL A 109 0.820 -3.482 8.708 1.00 0.00 C ATOM 1731 O VAL A 109 1.984 -3.864 8.836 1.00 0.00 O ATOM 1732 CB VAL A 109 0.118 -5.804 8.108 1.00 0.00 C ATOM 1733 CG1 VAL A 109 0.612 -5.578 6.688 1.00 0.00 C ATOM 1734 CG2 VAL A 109 1.194 -6.464 8.956 1.00 0.00 C ATOM 0 H VAL A 109 -1.505 -4.012 7.070 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.616 -4.658 9.785 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.741 -6.474 8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.928 -6.528 6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.193 -5.156 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.455 -4.888 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.503 -7.399 8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.053 -5.798 9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.799 -6.668 9.951 1.00 0.00 H new ATOM 1744 N CYS A 110 0.492 -2.205 8.530 1.00 0.00 N ATOM 1745 CA CYS A 110 1.500 -1.152 8.472 1.00 0.00 C ATOM 1746 C CYS A 110 2.856 -1.659 8.950 1.00 0.00 C ATOM 1747 O CYS A 110 3.040 -1.955 10.130 1.00 0.00 O ATOM 1748 CB CYS A 110 1.066 0.045 9.321 1.00 0.00 C ATOM 1749 SG CYS A 110 0.140 -0.405 10.808 1.00 0.00 S ATOM 0 H CYS A 110 -0.467 -1.874 8.423 1.00 0.00 H new ATOM 0 HA CYS A 110 1.597 -0.840 7.432 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.951 0.610 9.614 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.453 0.707 8.710 1.00 0.00 H new ATOM 0 HG CYS A 110 0.355 0.478 11.737 1.00 0.00 H new ATOM 1755 N GLY A 111 3.805 -1.757 8.023 1.00 0.00 N ATOM 1756 CA GLY A 111 5.134 -2.225 8.369 1.00 0.00 C ATOM 1757 C GLY A 111 5.161 -2.976 9.686 1.00 0.00 C ATOM 1758 O GLY A 111 6.101 -2.753 10.477 1.00 0.00 O ATOM 0 H GLY A 111 3.677 -1.521 7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.505 -2.875 7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.812 -1.373 8.426 1.00 0.00 H new