USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 652 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 52 ASN : amide:sc= -0.0933 K(o=-0.093,f=-1.5!) USER MOD Set 1.2: A 54 GLN : amide:sc= 0 X(o=-0.093,f=-0.16) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 46:sc= 0.637 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.89 K(o=-0.89,f=-6.8!) USER MOD Single : A 13 THR OG1 : rot 44:sc= 0.688 USER MOD Single : A 14 SER OG : rot 41:sc= 0.785 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 145:sc= -0.874! (180deg=-3.64!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -2.45! C(o=-3!,f=-2.4!) USER MOD Single : A 35 CYS SG : rot -150:sc= -1.4 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 46 CYS SG : rot -9:sc= -0.456 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.95! C(o=-4.9!,f=-12!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.09 K(o=-0.09,f=-0.88) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.772 USER MOD Single : A 72 THR OG1 : rot -160:sc= -1.86 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.109) USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.268) USER MOD Single : A 84 SER OG : rot 21:sc= 0.229 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.688 -7.443 36.539 1.00 0.00 N ATOM 2 CA GLY A 1 30.872 -7.127 35.381 1.00 0.00 C ATOM 3 C GLY A 1 30.396 -5.688 35.383 1.00 0.00 C ATOM 4 O GLY A 1 31.162 -4.773 35.082 1.00 0.00 O ATOM 0 H1 GLY A 1 31.988 -8.438 36.491 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.527 -6.828 36.551 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.134 -7.290 37.406 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.446 -7.315 34.474 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.009 -7.792 35.356 1.00 0.00 H new ATOM 8 N SER A 2 29.126 -5.487 35.720 1.00 0.00 N ATOM 9 CA SER A 2 28.546 -4.150 35.754 1.00 0.00 C ATOM 10 C SER A 2 28.884 -3.379 34.482 1.00 0.00 C ATOM 11 O SER A 2 28.980 -2.151 34.493 1.00 0.00 O ATOM 12 CB SER A 2 29.051 -3.383 36.978 1.00 0.00 C ATOM 13 OG SER A 2 28.226 -3.623 38.105 1.00 0.00 O ATOM 0 H SER A 2 28.479 -6.234 35.973 1.00 0.00 H new ATOM 0 HA SER A 2 27.463 -4.252 35.819 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.075 -3.683 37.202 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.072 -2.315 36.759 1.00 0.00 H new ATOM 0 HG SER A 2 28.570 -3.123 38.875 1.00 0.00 H new ATOM 19 N SER A 3 29.065 -4.108 33.386 1.00 0.00 N ATOM 20 CA SER A 3 29.397 -3.495 32.105 1.00 0.00 C ATOM 21 C SER A 3 28.142 -2.974 31.411 1.00 0.00 C ATOM 22 O SER A 3 28.104 -1.837 30.943 1.00 0.00 O ATOM 23 CB SER A 3 30.111 -4.502 31.203 1.00 0.00 C ATOM 24 OG SER A 3 31.356 -4.891 31.758 1.00 0.00 O ATOM 0 H SER A 3 28.987 -5.125 33.359 1.00 0.00 H new ATOM 0 HA SER A 3 30.063 -2.653 32.295 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.481 -5.381 31.064 1.00 0.00 H new ATOM 0 HB3 SER A 3 30.270 -4.064 30.218 1.00 0.00 H new ATOM 0 HG SER A 3 31.792 -5.536 31.163 1.00 0.00 H new ATOM 30 N GLY A 4 27.115 -3.816 31.348 1.00 0.00 N ATOM 31 CA GLY A 4 25.872 -3.424 30.710 1.00 0.00 C ATOM 32 C GLY A 4 25.349 -4.483 29.760 1.00 0.00 C ATOM 33 O GLY A 4 26.126 -5.209 29.139 1.00 0.00 O ATOM 0 H GLY A 4 27.122 -4.763 31.728 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.122 -3.224 31.475 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.025 -2.494 30.163 1.00 0.00 H new ATOM 37 N SER A 5 24.028 -4.574 29.646 1.00 0.00 N ATOM 38 CA SER A 5 23.402 -5.556 28.769 1.00 0.00 C ATOM 39 C SER A 5 22.339 -4.902 27.892 1.00 0.00 C ATOM 40 O SER A 5 21.167 -4.835 28.263 1.00 0.00 O ATOM 41 CB SER A 5 22.776 -6.683 29.594 1.00 0.00 C ATOM 42 OG SER A 5 21.845 -6.171 30.532 1.00 0.00 O ATOM 0 H SER A 5 23.370 -3.979 30.150 1.00 0.00 H new ATOM 0 HA SER A 5 24.174 -5.974 28.123 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.278 -7.390 28.931 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.558 -7.233 30.117 1.00 0.00 H new ATOM 0 HG SER A 5 21.265 -5.515 30.092 1.00 0.00 H new ATOM 48 N SER A 6 22.757 -4.419 26.726 1.00 0.00 N ATOM 49 CA SER A 6 21.843 -3.766 25.797 1.00 0.00 C ATOM 50 C SER A 6 22.002 -4.333 24.389 1.00 0.00 C ATOM 51 O SER A 6 23.115 -4.450 23.877 1.00 0.00 O ATOM 52 CB SER A 6 22.090 -2.256 25.781 1.00 0.00 C ATOM 53 OG SER A 6 20.982 -1.564 25.233 1.00 0.00 O ATOM 0 H SER A 6 23.723 -4.468 26.403 1.00 0.00 H new ATOM 0 HA SER A 6 20.824 -3.957 26.134 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.277 -1.904 26.796 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.984 -2.037 25.198 1.00 0.00 H new ATOM 0 HG SER A 6 21.164 -0.601 25.236 1.00 0.00 H new ATOM 59 N GLY A 7 20.880 -4.684 23.769 1.00 0.00 N ATOM 60 CA GLY A 7 20.915 -5.235 22.427 1.00 0.00 C ATOM 61 C GLY A 7 19.572 -5.151 21.730 1.00 0.00 C ATOM 62 O GLY A 7 18.566 -4.804 22.346 1.00 0.00 O ATOM 0 H GLY A 7 19.947 -4.597 24.172 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.661 -4.701 21.838 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.232 -6.277 22.474 1.00 0.00 H new ATOM 66 N GLY A 8 19.556 -5.469 20.438 1.00 0.00 N ATOM 67 CA GLY A 8 18.321 -5.419 19.678 1.00 0.00 C ATOM 68 C GLY A 8 17.893 -6.784 19.176 1.00 0.00 C ATOM 69 O GLY A 8 18.657 -7.471 18.497 1.00 0.00 O ATOM 0 H GLY A 8 20.376 -5.760 19.905 1.00 0.00 H new ATOM 0 HA2 GLY A 8 17.531 -5.001 20.302 1.00 0.00 H new ATOM 0 HA3 GLY A 8 18.447 -4.746 18.830 1.00 0.00 H new ATOM 73 N TYR A 9 16.671 -7.180 19.513 1.00 0.00 N ATOM 74 CA TYR A 9 16.145 -8.474 19.096 1.00 0.00 C ATOM 75 C TYR A 9 14.737 -8.332 18.526 1.00 0.00 C ATOM 76 O TYR A 9 13.996 -7.406 18.858 1.00 0.00 O ATOM 77 CB TYR A 9 16.134 -9.448 20.275 1.00 0.00 C ATOM 78 CG TYR A 9 17.505 -9.966 20.646 1.00 0.00 C ATOM 79 CD1 TYR A 9 18.286 -10.645 19.719 1.00 0.00 C ATOM 80 CD2 TYR A 9 18.019 -9.776 21.922 1.00 0.00 C ATOM 81 CE1 TYR A 9 19.539 -11.121 20.053 1.00 0.00 C ATOM 82 CE2 TYR A 9 19.272 -10.247 22.265 1.00 0.00 C ATOM 83 CZ TYR A 9 20.028 -10.919 21.327 1.00 0.00 C ATOM 84 OH TYR A 9 21.276 -11.390 21.665 1.00 0.00 O ATOM 0 H TYR A 9 16.026 -6.623 20.074 1.00 0.00 H new ATOM 0 HA TYR A 9 16.796 -8.867 18.315 1.00 0.00 H new ATOM 0 HB2 TYR A 9 15.696 -8.952 21.141 1.00 0.00 H new ATOM 0 HB3 TYR A 9 15.489 -10.293 20.032 1.00 0.00 H new ATOM 0 HD1 TYR A 9 17.907 -10.803 18.720 1.00 0.00 H new ATOM 0 HD2 TYR A 9 17.429 -9.251 22.659 1.00 0.00 H new ATOM 0 HE1 TYR A 9 20.132 -11.648 19.321 1.00 0.00 H new ATOM 0 HE2 TYR A 9 19.657 -10.090 23.262 1.00 0.00 H new ATOM 0 HH TYR A 9 21.469 -11.163 22.599 1.00 0.00 H new ATOM 94 N PRO A 10 14.357 -9.271 17.647 1.00 0.00 N ATOM 95 CA PRO A 10 15.231 -10.377 17.244 1.00 0.00 C ATOM 96 C PRO A 10 16.401 -9.909 16.387 1.00 0.00 C ATOM 97 O PRO A 10 16.575 -8.712 16.157 1.00 0.00 O ATOM 98 CB PRO A 10 14.303 -11.285 16.433 1.00 0.00 C ATOM 99 CG PRO A 10 13.238 -10.377 15.921 1.00 0.00 C ATOM 100 CD PRO A 10 13.046 -9.326 16.979 1.00 0.00 C ATOM 0 HA PRO A 10 15.688 -10.869 18.103 1.00 0.00 H new ATOM 0 HB2 PRO A 10 14.838 -11.769 15.616 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.884 -12.077 17.053 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.532 -9.927 14.973 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.312 -10.924 15.741 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.776 -8.363 16.545 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.252 -9.596 17.675 1.00 0.00 H new ATOM 108 N ASN A 11 17.202 -10.859 15.915 1.00 0.00 N ATOM 109 CA ASN A 11 18.356 -10.543 15.083 1.00 0.00 C ATOM 110 C ASN A 11 18.399 -11.439 13.848 1.00 0.00 C ATOM 111 O ASN A 11 18.317 -12.662 13.953 1.00 0.00 O ATOM 112 CB ASN A 11 19.649 -10.701 15.886 1.00 0.00 C ATOM 113 CG ASN A 11 19.707 -12.018 16.635 1.00 0.00 C ATOM 114 OD1 ASN A 11 18.748 -12.791 16.630 1.00 0.00 O ATOM 115 ND2 ASN A 11 20.836 -12.281 17.283 1.00 0.00 N ATOM 0 H ASN A 11 17.072 -11.855 16.095 1.00 0.00 H new ATOM 0 HA ASN A 11 18.263 -9.507 14.756 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.503 -10.632 15.212 1.00 0.00 H new ATOM 0 HB3 ASN A 11 19.735 -9.878 16.596 1.00 0.00 H new ATOM 0 HD21 ASN A 11 20.934 -13.153 17.804 1.00 0.00 H new ATOM 0 HD22 ASN A 11 21.605 -11.611 17.260 1.00 0.00 H new ATOM 122 N GLY A 12 18.528 -10.819 12.679 1.00 0.00 N ATOM 123 CA GLY A 12 18.579 -11.575 11.441 1.00 0.00 C ATOM 124 C GLY A 12 18.271 -10.722 10.227 1.00 0.00 C ATOM 125 O GLY A 12 18.986 -9.764 9.933 1.00 0.00 O ATOM 0 H GLY A 12 18.598 -9.808 12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.569 -12.016 11.329 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.867 -12.399 11.492 1.00 0.00 H new ATOM 129 N THR A 13 17.202 -11.070 9.517 1.00 0.00 N ATOM 130 CA THR A 13 16.801 -10.331 8.326 1.00 0.00 C ATOM 131 C THR A 13 15.795 -9.239 8.670 1.00 0.00 C ATOM 132 O THR A 13 14.605 -9.508 8.837 1.00 0.00 O ATOM 133 CB THR A 13 16.188 -11.264 7.266 1.00 0.00 C ATOM 134 OG1 THR A 13 15.092 -11.993 7.829 1.00 0.00 O ATOM 135 CG2 THR A 13 17.229 -12.236 6.733 1.00 0.00 C ATOM 0 H THR A 13 16.598 -11.859 9.746 1.00 0.00 H new ATOM 0 HA THR A 13 17.703 -9.874 7.918 1.00 0.00 H new ATOM 0 HB THR A 13 15.829 -10.651 6.439 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.535 -11.387 8.361 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.772 -12.885 5.986 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.048 -11.679 6.278 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.614 -12.842 7.553 1.00 0.00 H new ATOM 143 N SER A 14 16.279 -8.005 8.773 1.00 0.00 N ATOM 144 CA SER A 14 15.420 -6.872 9.099 1.00 0.00 C ATOM 145 C SER A 14 15.602 -5.744 8.089 1.00 0.00 C ATOM 146 O SER A 14 16.563 -4.978 8.163 1.00 0.00 O ATOM 147 CB SER A 14 15.726 -6.363 10.509 1.00 0.00 C ATOM 148 OG SER A 14 17.082 -5.966 10.625 1.00 0.00 O ATOM 0 H SER A 14 17.261 -7.764 8.636 1.00 0.00 H new ATOM 0 HA SER A 14 14.384 -7.209 9.058 1.00 0.00 H new ATOM 0 HB2 SER A 14 15.076 -5.520 10.744 1.00 0.00 H new ATOM 0 HB3 SER A 14 15.509 -7.145 11.236 1.00 0.00 H new ATOM 0 HG SER A 14 17.355 -5.493 9.811 1.00 0.00 H new ATOM 154 N ALA A 15 14.672 -5.648 7.145 1.00 0.00 N ATOM 155 CA ALA A 15 14.727 -4.613 6.120 1.00 0.00 C ATOM 156 C ALA A 15 13.400 -4.505 5.376 1.00 0.00 C ATOM 157 O ALA A 15 12.754 -5.513 5.091 1.00 0.00 O ATOM 158 CB ALA A 15 15.860 -4.896 5.144 1.00 0.00 C ATOM 0 H ALA A 15 13.871 -6.275 7.069 1.00 0.00 H new ATOM 0 HA ALA A 15 14.916 -3.659 6.612 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.889 -4.115 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.808 -4.914 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.696 -5.862 4.666 1.00 0.00 H new ATOM 164 N ALA A 16 12.999 -3.276 5.067 1.00 0.00 N ATOM 165 CA ALA A 16 11.750 -3.037 4.355 1.00 0.00 C ATOM 166 C ALA A 16 11.907 -1.920 3.329 1.00 0.00 C ATOM 167 O ALA A 16 12.351 -0.819 3.658 1.00 0.00 O ATOM 168 CB ALA A 16 10.639 -2.700 5.339 1.00 0.00 C ATOM 0 H ALA A 16 13.521 -2.431 5.299 1.00 0.00 H new ATOM 0 HA ALA A 16 11.484 -3.949 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.712 -2.524 4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.501 -3.531 6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.907 -1.803 5.898 1.00 0.00 H new ATOM 174 N LEU A 17 11.542 -2.210 2.085 1.00 0.00 N ATOM 175 CA LEU A 17 11.643 -1.229 1.010 1.00 0.00 C ATOM 176 C LEU A 17 10.259 -0.782 0.549 1.00 0.00 C ATOM 177 O LEU A 17 9.572 -1.502 -0.175 1.00 0.00 O ATOM 178 CB LEU A 17 12.421 -1.816 -0.170 1.00 0.00 C ATOM 179 CG LEU A 17 12.353 -1.026 -1.477 1.00 0.00 C ATOM 180 CD1 LEU A 17 11.155 -1.466 -2.305 1.00 0.00 C ATOM 181 CD2 LEU A 17 12.288 0.468 -1.195 1.00 0.00 C ATOM 0 H LEU A 17 11.174 -3.116 1.796 1.00 0.00 H new ATOM 0 HA LEU A 17 12.176 -0.359 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.467 -1.910 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.051 -2.824 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 17 13.259 -1.229 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.123 -0.893 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.244 -2.527 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.239 -1.294 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.240 1.014 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.400 0.688 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.177 0.773 -0.643 1.00 0.00 H new ATOM 193 N ARG A 18 9.859 0.413 0.972 1.00 0.00 N ATOM 194 CA ARG A 18 8.558 0.957 0.602 1.00 0.00 C ATOM 195 C ARG A 18 8.525 1.331 -0.877 1.00 0.00 C ATOM 196 O ARG A 18 9.415 2.021 -1.372 1.00 0.00 O ATOM 197 CB ARG A 18 8.233 2.184 1.456 1.00 0.00 C ATOM 198 CG ARG A 18 8.254 1.909 2.951 1.00 0.00 C ATOM 199 CD ARG A 18 7.105 1.004 3.367 1.00 0.00 C ATOM 200 NE ARG A 18 5.876 1.755 3.608 1.00 0.00 N ATOM 201 CZ ARG A 18 5.583 2.331 4.768 1.00 0.00 C ATOM 202 NH1 ARG A 18 6.426 2.244 5.788 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.444 2.998 4.910 1.00 0.00 N ATOM 0 H ARG A 18 10.417 1.022 1.571 1.00 0.00 H new ATOM 0 HA ARG A 18 7.807 0.188 0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.950 2.973 1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.248 2.559 1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.202 1.444 3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.193 2.851 3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.929 0.261 2.589 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.381 0.460 4.271 1.00 0.00 H new ATOM 0 HE ARG A 18 5.206 1.842 2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.303 1.733 5.683 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.198 2.688 6.678 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.793 3.068 4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.220 3.440 5.801 1.00 0.00 H new ATOM 217 N GLU A 19 7.494 0.868 -1.576 1.00 0.00 N ATOM 218 CA GLU A 19 7.347 1.153 -2.999 1.00 0.00 C ATOM 219 C GLU A 19 6.255 2.191 -3.236 1.00 0.00 C ATOM 220 O GLU A 19 5.340 2.344 -2.426 1.00 0.00 O ATOM 221 CB GLU A 19 7.022 -0.130 -3.768 1.00 0.00 C ATOM 222 CG GLU A 19 8.055 -1.229 -3.582 1.00 0.00 C ATOM 223 CD GLU A 19 9.261 -1.056 -4.484 1.00 0.00 C ATOM 224 OE1 GLU A 19 9.818 0.061 -4.523 1.00 0.00 O ATOM 225 OE2 GLU A 19 9.647 -2.037 -5.153 1.00 0.00 O ATOM 0 H GLU A 19 6.749 0.294 -1.181 1.00 0.00 H new ATOM 0 HA GLU A 19 8.292 1.556 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.048 -0.500 -3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.939 0.104 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.383 -1.242 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.592 -2.195 -3.782 1.00 0.00 H new ATOM 232 N THR A 20 6.358 2.905 -4.353 1.00 0.00 N ATOM 233 CA THR A 20 5.381 3.931 -4.697 1.00 0.00 C ATOM 234 C THR A 20 4.794 3.688 -6.083 1.00 0.00 C ATOM 235 O THR A 20 5.469 3.171 -6.972 1.00 0.00 O ATOM 236 CB THR A 20 6.006 5.338 -4.656 1.00 0.00 C ATOM 237 OG1 THR A 20 6.854 5.531 -5.794 1.00 0.00 O ATOM 238 CG2 THR A 20 6.809 5.537 -3.379 1.00 0.00 C ATOM 0 H THR A 20 7.108 2.791 -5.035 1.00 0.00 H new ATOM 0 HA THR A 20 4.586 3.873 -3.953 1.00 0.00 H new ATOM 0 HB THR A 20 5.199 6.070 -4.676 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.246 6.429 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.241 6.538 -3.373 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.154 5.419 -2.515 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.608 4.797 -3.333 1.00 0.00 H new ATOM 246 N GLY A 21 3.531 4.066 -6.260 1.00 0.00 N ATOM 247 CA GLY A 21 2.875 3.881 -7.541 1.00 0.00 C ATOM 248 C GLY A 21 1.753 4.875 -7.767 1.00 0.00 C ATOM 249 O GLY A 21 1.907 6.067 -7.499 1.00 0.00 O ATOM 0 H GLY A 21 2.951 4.497 -5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.610 3.980 -8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.476 2.868 -7.598 1.00 0.00 H new ATOM 253 N VAL A 22 0.621 4.385 -8.261 1.00 0.00 N ATOM 254 CA VAL A 22 -0.532 5.239 -8.523 1.00 0.00 C ATOM 255 C VAL A 22 -1.835 4.457 -8.397 1.00 0.00 C ATOM 256 O VAL A 22 -1.972 3.366 -8.952 1.00 0.00 O ATOM 257 CB VAL A 22 -0.457 5.868 -9.927 1.00 0.00 C ATOM 258 CG1 VAL A 22 -0.894 4.865 -10.985 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.307 7.128 -9.992 1.00 0.00 C ATOM 0 H VAL A 22 0.477 3.401 -8.488 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.514 6.033 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 22 0.578 6.145 -10.128 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.835 5.327 -11.971 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.240 3.994 -10.952 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.921 4.555 -10.791 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.242 7.559 -10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.345 6.879 -9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.944 7.850 -9.261 1.00 0.00 H new ATOM 269 N ILE A 23 -2.788 5.022 -7.664 1.00 0.00 N ATOM 270 CA ILE A 23 -4.081 4.379 -7.466 1.00 0.00 C ATOM 271 C ILE A 23 -4.806 4.182 -8.793 1.00 0.00 C ATOM 272 O ILE A 23 -5.499 5.079 -9.272 1.00 0.00 O ATOM 273 CB ILE A 23 -4.979 5.198 -6.521 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.300 5.373 -5.161 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.333 4.523 -6.360 1.00 0.00 C ATOM 276 CD1 ILE A 23 -4.489 4.192 -4.235 1.00 0.00 C ATOM 0 H ILE A 23 -2.689 5.924 -7.197 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.883 3.407 -7.014 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.136 6.184 -6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.233 5.537 -5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.694 6.268 -4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.957 5.114 -5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.819 4.445 -7.333 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.195 3.526 -5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.981 4.386 -3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.553 4.041 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.070 3.298 -4.696 1.00 0.00 H new ATOM 288 N GLU A 24 -4.642 3.001 -9.382 1.00 0.00 N ATOM 289 CA GLU A 24 -5.282 2.686 -10.654 1.00 0.00 C ATOM 290 C GLU A 24 -6.794 2.569 -10.488 1.00 0.00 C ATOM 291 O GLU A 24 -7.561 3.032 -11.333 1.00 0.00 O ATOM 292 CB GLU A 24 -4.718 1.383 -11.225 1.00 0.00 C ATOM 293 CG GLU A 24 -5.368 0.961 -12.532 1.00 0.00 C ATOM 294 CD GLU A 24 -5.385 -0.545 -12.714 1.00 0.00 C ATOM 295 OE1 GLU A 24 -5.239 -1.267 -11.707 1.00 0.00 O ATOM 296 OE2 GLU A 24 -5.546 -1.000 -13.866 1.00 0.00 O ATOM 0 H GLU A 24 -4.072 2.247 -8.999 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.072 3.500 -11.348 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.646 1.499 -11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.848 0.588 -10.491 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.390 1.339 -12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.833 1.418 -13.364 1.00 0.00 H new ATOM 303 N LYS A 25 -7.217 1.947 -9.392 1.00 0.00 N ATOM 304 CA LYS A 25 -8.637 1.769 -9.113 1.00 0.00 C ATOM 305 C LYS A 25 -8.903 1.798 -7.611 1.00 0.00 C ATOM 306 O LYS A 25 -8.028 1.471 -6.808 1.00 0.00 O ATOM 307 CB LYS A 25 -9.132 0.447 -9.704 1.00 0.00 C ATOM 308 CG LYS A 25 -10.543 0.520 -10.261 1.00 0.00 C ATOM 309 CD LYS A 25 -11.575 0.125 -9.218 1.00 0.00 C ATOM 310 CE LYS A 25 -12.991 0.379 -9.711 1.00 0.00 C ATOM 311 NZ LYS A 25 -13.918 0.708 -8.593 1.00 0.00 N ATOM 0 H LYS A 25 -6.596 1.558 -8.683 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.180 2.593 -9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.453 0.137 -10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.094 -0.323 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.746 1.533 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.628 -0.138 -11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.458 -0.930 -8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.401 0.688 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.984 1.199 -10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.356 -0.503 -10.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.620 1.404 -8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.406 -0.156 -8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.377 1.106 -7.799 1.00 0.00 H new ATOM 325 N LEU A 26 -10.116 2.190 -7.238 1.00 0.00 N ATOM 326 CA LEU A 26 -10.499 2.261 -5.832 1.00 0.00 C ATOM 327 C LEU A 26 -11.953 1.840 -5.642 1.00 0.00 C ATOM 328 O LEU A 26 -12.826 2.213 -6.427 1.00 0.00 O ATOM 329 CB LEU A 26 -10.292 3.679 -5.297 1.00 0.00 C ATOM 330 CG LEU A 26 -10.122 3.807 -3.783 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.656 3.679 -3.398 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.691 5.130 -3.292 1.00 0.00 C ATOM 0 H LEU A 26 -10.852 2.464 -7.890 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.865 1.573 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.411 4.102 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.144 4.288 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.674 2.998 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.554 3.773 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.280 2.706 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.082 4.466 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.561 5.204 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.168 5.954 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.753 5.182 -3.534 1.00 0.00 H new ATOM 344 N LEU A 27 -12.206 1.064 -4.594 1.00 0.00 N ATOM 345 CA LEU A 27 -13.556 0.594 -4.299 1.00 0.00 C ATOM 346 C LEU A 27 -13.916 0.855 -2.839 1.00 0.00 C ATOM 347 O LEU A 27 -13.144 1.463 -2.097 1.00 0.00 O ATOM 348 CB LEU A 27 -13.676 -0.899 -4.607 1.00 0.00 C ATOM 349 CG LEU A 27 -13.281 -1.327 -6.020 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.799 -1.666 -6.081 1.00 0.00 C ATOM 351 CD2 LEU A 27 -14.120 -2.513 -6.473 1.00 0.00 C ATOM 0 H LEU A 27 -11.495 0.747 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.253 1.146 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.057 -1.447 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.708 -1.204 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.470 -0.494 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.536 -1.969 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.214 -0.790 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.584 -2.482 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.825 -2.804 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.963 -3.350 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.174 -2.235 -6.470 1.00 0.00 H new ATOM 363 N THR A 28 -15.093 0.389 -2.433 1.00 0.00 N ATOM 364 CA THR A 28 -15.555 0.571 -1.063 1.00 0.00 C ATOM 365 C THR A 28 -14.897 -0.434 -0.123 1.00 0.00 C ATOM 366 O THR A 28 -14.771 -0.186 1.076 1.00 0.00 O ATOM 367 CB THR A 28 -17.085 0.425 -0.962 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.726 1.492 -1.669 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.534 0.430 0.491 1.00 0.00 C ATOM 0 H THR A 28 -15.743 -0.117 -3.034 1.00 0.00 H new ATOM 0 HA THR A 28 -15.273 1.581 -0.766 1.00 0.00 H new ATOM 0 HB THR A 28 -17.368 -0.528 -1.409 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.698 1.391 -1.602 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.618 0.326 0.537 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.067 -0.401 1.019 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.240 1.369 0.960 1.00 0.00 H new ATOM 377 N SER A 29 -14.478 -1.568 -0.676 1.00 0.00 N ATOM 378 CA SER A 29 -13.836 -2.611 0.114 1.00 0.00 C ATOM 379 C SER A 29 -12.317 -2.474 0.063 1.00 0.00 C ATOM 380 O SER A 29 -11.634 -2.626 1.076 1.00 0.00 O ATOM 381 CB SER A 29 -14.251 -3.994 -0.393 1.00 0.00 C ATOM 382 OG SER A 29 -14.259 -4.942 0.660 1.00 0.00 O ATOM 0 H SER A 29 -14.572 -1.787 -1.668 1.00 0.00 H new ATOM 0 HA SER A 29 -14.160 -2.499 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.242 -3.937 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.564 -4.319 -1.174 1.00 0.00 H new ATOM 0 HG SER A 29 -14.529 -5.817 0.311 1.00 0.00 H new ATOM 388 N TYR A 30 -11.795 -2.185 -1.124 1.00 0.00 N ATOM 389 CA TYR A 30 -10.357 -2.030 -1.309 1.00 0.00 C ATOM 390 C TYR A 30 -10.053 -1.276 -2.600 1.00 0.00 C ATOM 391 O TYR A 30 -10.960 -0.809 -3.288 1.00 0.00 O ATOM 392 CB TYR A 30 -9.674 -3.398 -1.331 1.00 0.00 C ATOM 393 CG TYR A 30 -10.488 -4.470 -2.019 1.00 0.00 C ATOM 394 CD1 TYR A 30 -11.203 -4.191 -3.177 1.00 0.00 C ATOM 395 CD2 TYR A 30 -10.542 -5.762 -1.511 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.949 -5.168 -3.808 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.284 -6.745 -2.136 1.00 0.00 C ATOM 398 CZ TYR A 30 -11.986 -6.443 -3.284 1.00 0.00 C ATOM 399 OH TYR A 30 -12.727 -7.420 -3.910 1.00 0.00 O ATOM 0 H TYR A 30 -12.346 -2.053 -1.972 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.968 -1.451 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.711 -3.306 -1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.470 -3.710 -0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.175 -3.194 -3.591 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.994 -6.002 -0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.500 -4.934 -4.707 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.314 -7.745 -1.728 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.645 -8.261 -3.414 1.00 0.00 H new ATOM 409 N GLY A 31 -8.768 -1.161 -2.922 1.00 0.00 N ATOM 410 CA GLY A 31 -8.365 -0.464 -4.129 1.00 0.00 C ATOM 411 C GLY A 31 -7.089 -1.025 -4.724 1.00 0.00 C ATOM 412 O GLY A 31 -6.315 -1.690 -4.036 1.00 0.00 O ATOM 0 H GLY A 31 -7.999 -1.538 -2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.165 -0.529 -4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.223 0.593 -3.904 1.00 0.00 H new ATOM 416 N PHE A 32 -6.868 -0.757 -6.007 1.00 0.00 N ATOM 417 CA PHE A 32 -5.678 -1.242 -6.695 1.00 0.00 C ATOM 418 C PHE A 32 -4.682 -0.108 -6.925 1.00 0.00 C ATOM 419 O PHE A 32 -5.071 1.047 -7.099 1.00 0.00 O ATOM 420 CB PHE A 32 -6.060 -1.879 -8.033 1.00 0.00 C ATOM 421 CG PHE A 32 -6.978 -3.059 -7.895 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.316 -2.879 -7.582 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.504 -4.348 -8.078 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.163 -3.963 -7.453 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.347 -5.436 -7.951 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.679 -5.243 -7.639 1.00 0.00 C ATOM 0 H PHE A 32 -7.498 -0.207 -6.591 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.206 -1.995 -6.064 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.539 -1.127 -8.660 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.153 -2.193 -8.549 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.701 -1.880 -7.437 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.464 -4.504 -8.323 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.203 -3.809 -7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.965 -6.436 -8.095 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.340 -6.091 -7.541 1.00 0.00 H new ATOM 436 N ILE A 33 -3.398 -0.448 -6.922 1.00 0.00 N ATOM 437 CA ILE A 33 -2.347 0.541 -7.130 1.00 0.00 C ATOM 438 C ILE A 33 -1.378 0.093 -8.220 1.00 0.00 C ATOM 439 O ILE A 33 -0.678 -0.908 -8.067 1.00 0.00 O ATOM 440 CB ILE A 33 -1.558 0.805 -5.835 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.476 1.397 -4.764 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.385 1.735 -6.108 1.00 0.00 C ATOM 443 CD1 ILE A 33 -2.016 1.116 -3.350 1.00 0.00 C ATOM 0 H ILE A 33 -3.060 -1.400 -6.778 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.839 1.463 -7.440 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.166 -0.143 -5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.541 2.475 -4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.481 0.996 -4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.162 1.912 -5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.279 1.277 -6.841 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.756 2.683 -6.497 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.714 1.566 -2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.978 0.039 -3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.024 1.541 -3.199 1.00 0.00 H new ATOM 455 N GLN A 34 -1.343 0.841 -9.318 1.00 0.00 N ATOM 456 CA GLN A 34 -0.460 0.521 -10.432 1.00 0.00 C ATOM 457 C GLN A 34 0.961 1.001 -10.155 1.00 0.00 C ATOM 458 O GLN A 34 1.264 2.187 -10.293 1.00 0.00 O ATOM 459 CB GLN A 34 -0.982 1.153 -11.723 1.00 0.00 C ATOM 460 CG GLN A 34 -0.039 0.992 -12.905 1.00 0.00 C ATOM 461 CD GLN A 34 -0.344 -0.241 -13.731 1.00 0.00 C ATOM 462 OE1 GLN A 34 0.396 -1.316 -13.486 1.00 0.00 O flip ATOM 463 NE2 GLN A 34 -1.236 -0.229 -14.580 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.916 1.673 -9.459 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.442 -0.563 -10.549 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.944 0.706 -11.973 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.159 2.215 -11.552 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.105 1.875 -13.540 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.987 0.936 -12.541 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.781 0.619 -14.736 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.430 -1.067 -15.128 1.00 0.00 H new ATOM 472 N CYS A 35 1.828 0.073 -9.765 1.00 0.00 N ATOM 473 CA CYS A 35 3.218 0.403 -9.468 1.00 0.00 C ATOM 474 C CYS A 35 3.847 1.191 -10.612 1.00 0.00 C ATOM 475 O CYS A 35 3.803 0.769 -11.768 1.00 0.00 O ATOM 476 CB CYS A 35 4.022 -0.873 -9.209 1.00 0.00 C ATOM 477 SG CYS A 35 3.434 -1.842 -7.801 1.00 0.00 S ATOM 0 H CYS A 35 1.594 -0.913 -9.647 1.00 0.00 H new ATOM 0 HA CYS A 35 3.235 1.023 -8.572 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.993 -1.496 -10.103 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.065 -0.605 -9.042 1.00 0.00 H new ATOM 0 HG CYS A 35 4.432 -2.480 -7.266 1.00 0.00 H new ATOM 483 N SER A 36 4.430 2.339 -10.283 1.00 0.00 N ATOM 484 CA SER A 36 5.063 3.189 -11.284 1.00 0.00 C ATOM 485 C SER A 36 6.554 2.884 -11.392 1.00 0.00 C ATOM 486 O SER A 36 7.299 3.603 -12.057 1.00 0.00 O ATOM 487 CB SER A 36 4.857 4.664 -10.934 1.00 0.00 C ATOM 488 OG SER A 36 4.720 5.451 -12.105 1.00 0.00 O ATOM 0 H SER A 36 4.477 2.702 -9.331 1.00 0.00 H new ATOM 0 HA SER A 36 4.597 2.982 -12.248 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.968 4.773 -10.313 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.702 5.023 -10.347 1.00 0.00 H new ATOM 0 HG SER A 36 4.588 6.389 -11.855 1.00 0.00 H new ATOM 494 N GLU A 37 6.982 1.812 -10.732 1.00 0.00 N ATOM 495 CA GLU A 37 8.384 1.411 -10.753 1.00 0.00 C ATOM 496 C GLU A 37 8.552 0.056 -11.433 1.00 0.00 C ATOM 497 O GLU A 37 9.476 -0.144 -12.222 1.00 0.00 O ATOM 498 CB GLU A 37 8.942 1.353 -9.329 1.00 0.00 C ATOM 499 CG GLU A 37 8.258 2.311 -8.368 1.00 0.00 C ATOM 500 CD GLU A 37 9.184 2.793 -7.268 1.00 0.00 C ATOM 501 OE1 GLU A 37 9.270 2.114 -6.224 1.00 0.00 O ATOM 502 OE2 GLU A 37 9.823 3.850 -7.452 1.00 0.00 O ATOM 0 H GLU A 37 6.378 1.206 -10.176 1.00 0.00 H new ATOM 0 HA GLU A 37 8.940 2.155 -11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.841 0.336 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.008 1.578 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.882 3.170 -8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.395 1.817 -7.921 1.00 0.00 H new ATOM 509 N ARG A 38 7.654 -0.872 -11.120 1.00 0.00 N ATOM 510 CA ARG A 38 7.703 -2.209 -11.699 1.00 0.00 C ATOM 511 C ARG A 38 6.656 -2.365 -12.798 1.00 0.00 C ATOM 512 O ARG A 38 6.618 -3.381 -13.492 1.00 0.00 O ATOM 513 CB ARG A 38 7.482 -3.266 -10.615 1.00 0.00 C ATOM 514 CG ARG A 38 6.047 -3.341 -10.122 1.00 0.00 C ATOM 515 CD ARG A 38 5.851 -4.497 -9.153 1.00 0.00 C ATOM 516 NE ARG A 38 5.793 -5.784 -9.841 1.00 0.00 N ATOM 517 CZ ARG A 38 5.644 -6.946 -9.214 1.00 0.00 C ATOM 518 NH1 ARG A 38 5.537 -6.981 -7.893 1.00 0.00 N ATOM 519 NH2 ARG A 38 5.601 -8.075 -9.909 1.00 0.00 N ATOM 0 H ARG A 38 6.884 -0.723 -10.469 1.00 0.00 H new ATOM 0 HA ARG A 38 8.690 -2.351 -12.139 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.775 -4.241 -11.005 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.137 -3.051 -9.771 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.780 -2.405 -9.632 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.375 -3.459 -10.972 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.668 -4.508 -8.432 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.930 -4.345 -8.589 1.00 0.00 H new ATOM 0 HE ARG A 38 5.871 -5.791 -10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.569 -6.115 -7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.423 -7.874 -7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.682 -8.052 -10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.487 -8.967 -9.427 1.00 0.00 H new ATOM 533 N GLN A 39 5.808 -1.353 -12.949 1.00 0.00 N ATOM 534 CA GLN A 39 4.760 -1.379 -13.962 1.00 0.00 C ATOM 535 C GLN A 39 3.818 -2.557 -13.740 1.00 0.00 C ATOM 536 O GLN A 39 3.309 -3.146 -14.694 1.00 0.00 O ATOM 537 CB GLN A 39 5.375 -1.458 -15.360 1.00 0.00 C ATOM 538 CG GLN A 39 6.231 -0.254 -15.718 1.00 0.00 C ATOM 539 CD GLN A 39 5.433 0.853 -16.380 1.00 0.00 C ATOM 540 OE1 GLN A 39 4.702 1.589 -15.718 1.00 0.00 O ATOM 541 NE2 GLN A 39 5.571 0.976 -17.695 1.00 0.00 N ATOM 0 H GLN A 39 5.826 -0.505 -12.383 1.00 0.00 H new ATOM 0 HA GLN A 39 4.185 -0.457 -13.878 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.984 -2.359 -15.429 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.576 -1.556 -16.094 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.703 0.133 -14.815 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.033 -0.569 -16.386 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.188 0.344 -18.204 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.060 1.703 -18.196 1.00 0.00 H new ATOM 550 N ALA A 40 3.590 -2.897 -12.475 1.00 0.00 N ATOM 551 CA ALA A 40 2.708 -4.004 -12.129 1.00 0.00 C ATOM 552 C ALA A 40 1.532 -3.525 -11.284 1.00 0.00 C ATOM 553 O ALA A 40 1.712 -2.790 -10.313 1.00 0.00 O ATOM 554 CB ALA A 40 3.484 -5.086 -11.392 1.00 0.00 C ATOM 0 H ALA A 40 4.004 -2.421 -11.673 1.00 0.00 H new ATOM 0 HA ALA A 40 2.311 -4.423 -13.054 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.813 -5.907 -11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.287 -5.456 -12.030 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.909 -4.671 -10.478 1.00 0.00 H new ATOM 560 N ARG A 41 0.329 -3.946 -11.661 1.00 0.00 N ATOM 561 CA ARG A 41 -0.877 -3.558 -10.940 1.00 0.00 C ATOM 562 C ARG A 41 -0.982 -4.308 -9.615 1.00 0.00 C ATOM 563 O ARG A 41 -1.197 -5.521 -9.591 1.00 0.00 O ATOM 564 CB ARG A 41 -2.117 -3.831 -11.792 1.00 0.00 C ATOM 565 CG ARG A 41 -2.528 -2.655 -12.663 1.00 0.00 C ATOM 566 CD ARG A 41 -3.206 -3.119 -13.943 1.00 0.00 C ATOM 567 NE ARG A 41 -2.244 -3.608 -14.926 1.00 0.00 N ATOM 568 CZ ARG A 41 -2.580 -4.013 -16.146 1.00 0.00 C ATOM 569 NH1 ARG A 41 -3.849 -3.986 -16.530 1.00 0.00 N ATOM 570 NH2 ARG A 41 -1.647 -4.445 -16.984 1.00 0.00 N ATOM 0 H ARG A 41 0.164 -4.556 -12.462 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.817 -2.490 -10.731 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.927 -4.695 -12.429 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.947 -4.094 -11.137 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.205 -2.007 -12.106 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.649 -2.060 -12.911 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.919 -3.910 -13.709 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.774 -2.294 -14.372 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.259 -3.641 -14.662 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.569 -3.654 -15.888 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.105 -4.297 -17.467 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.670 -4.467 -16.692 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.907 -4.756 -17.920 1.00 0.00 H new ATOM 584 N LEU A 42 -0.830 -3.579 -8.515 1.00 0.00 N ATOM 585 CA LEU A 42 -0.907 -4.175 -7.185 1.00 0.00 C ATOM 586 C LEU A 42 -2.315 -4.048 -6.613 1.00 0.00 C ATOM 587 O LEU A 42 -3.140 -3.292 -7.127 1.00 0.00 O ATOM 588 CB LEU A 42 0.099 -3.508 -6.246 1.00 0.00 C ATOM 589 CG LEU A 42 1.489 -4.144 -6.191 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.284 -3.587 -5.020 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.379 -5.658 -6.090 1.00 0.00 C ATOM 0 H LEU A 42 -0.653 -2.575 -8.517 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.664 -5.234 -7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.210 -2.466 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.319 -3.508 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 42 2.017 -3.899 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.270 -4.051 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.393 -2.508 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.760 -3.802 -4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.377 -6.094 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.833 -5.924 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.848 -6.043 -6.961 1.00 0.00 H new ATOM 603 N PHE A 43 -2.584 -4.791 -5.545 1.00 0.00 N ATOM 604 CA PHE A 43 -3.892 -4.761 -4.901 1.00 0.00 C ATOM 605 C PHE A 43 -3.762 -4.409 -3.422 1.00 0.00 C ATOM 606 O PHE A 43 -3.291 -5.216 -2.619 1.00 0.00 O ATOM 607 CB PHE A 43 -4.591 -6.113 -5.056 1.00 0.00 C ATOM 608 CG PHE A 43 -5.489 -6.459 -3.903 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.298 -5.495 -3.323 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.524 -7.749 -3.398 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.124 -5.811 -2.261 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.349 -8.071 -2.337 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.150 -7.101 -1.768 1.00 0.00 C ATOM 0 H PHE A 43 -1.913 -5.422 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.492 -3.992 -5.388 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.178 -6.106 -5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.837 -6.892 -5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.283 -4.485 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.899 -8.512 -3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.749 -5.050 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.367 -9.080 -1.953 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.796 -7.350 -0.939 1.00 0.00 H new ATOM 623 N PHE A 44 -4.183 -3.199 -3.068 1.00 0.00 N ATOM 624 CA PHE A 44 -4.113 -2.739 -1.686 1.00 0.00 C ATOM 625 C PHE A 44 -5.488 -2.791 -1.026 1.00 0.00 C ATOM 626 O PHE A 44 -6.503 -2.489 -1.654 1.00 0.00 O ATOM 627 CB PHE A 44 -3.561 -1.313 -1.629 1.00 0.00 C ATOM 628 CG PHE A 44 -4.626 -0.256 -1.669 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.098 0.226 -2.880 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.156 0.258 -0.496 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.078 1.199 -2.920 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.137 1.231 -0.531 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.598 1.703 -1.744 1.00 0.00 C ATOM 0 H PHE A 44 -4.576 -2.519 -3.719 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.442 -3.403 -1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.977 -1.194 -0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.879 -1.162 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.695 -0.164 -3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.798 -0.106 0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.437 1.565 -3.870 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.543 1.622 0.390 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.363 2.464 -1.773 1.00 0.00 H new ATOM 643 N HIS A 45 -5.512 -3.177 0.246 1.00 0.00 N ATOM 644 CA HIS A 45 -6.761 -3.269 0.993 1.00 0.00 C ATOM 645 C HIS A 45 -7.019 -1.988 1.781 1.00 0.00 C ATOM 646 O HIS A 45 -6.097 -1.402 2.351 1.00 0.00 O ATOM 647 CB HIS A 45 -6.725 -4.467 1.943 1.00 0.00 C ATOM 648 CG HIS A 45 -8.049 -5.151 2.094 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.221 -4.473 2.354 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.382 -6.461 2.019 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.218 -5.337 2.433 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.735 -6.550 2.234 1.00 0.00 N ATOM 0 H HIS A 45 -4.681 -3.431 0.780 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.573 -3.405 0.279 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.993 -5.187 1.579 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.384 -4.133 2.923 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.709 -7.283 1.826 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.252 -5.093 2.627 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.279 -7.413 2.239 1.00 0.00 H new ATOM 661 N CYS A 46 -8.275 -1.559 1.809 1.00 0.00 N ATOM 662 CA CYS A 46 -8.654 -0.346 2.526 1.00 0.00 C ATOM 663 C CYS A 46 -8.148 -0.384 3.964 1.00 0.00 C ATOM 664 O CYS A 46 -8.077 0.645 4.636 1.00 0.00 O ATOM 665 CB CYS A 46 -10.173 -0.173 2.511 1.00 0.00 C ATOM 666 SG CYS A 46 -10.810 0.877 3.838 1.00 0.00 S ATOM 0 H CYS A 46 -9.049 -2.033 1.344 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.194 0.504 2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.470 0.252 1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.640 -1.155 2.583 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.855 1.139 4.681 1.00 0.00 H new ATOM 672 N SER A 47 -7.800 -1.579 4.432 1.00 0.00 N ATOM 673 CA SER A 47 -7.306 -1.753 5.793 1.00 0.00 C ATOM 674 C SER A 47 -5.834 -1.364 5.891 1.00 0.00 C ATOM 675 O SER A 47 -5.369 -0.917 6.939 1.00 0.00 O ATOM 676 CB SER A 47 -7.493 -3.203 6.244 1.00 0.00 C ATOM 677 OG SER A 47 -8.750 -3.383 6.872 1.00 0.00 O ATOM 0 H SER A 47 -7.851 -2.441 3.889 1.00 0.00 H new ATOM 0 HA SER A 47 -7.881 -1.099 6.448 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.414 -3.868 5.384 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.695 -3.478 6.934 1.00 0.00 H new ATOM 0 HG SER A 47 -8.846 -4.318 7.149 1.00 0.00 H new ATOM 683 N GLN A 48 -5.109 -1.537 4.791 1.00 0.00 N ATOM 684 CA GLN A 48 -3.689 -1.204 4.753 1.00 0.00 C ATOM 685 C GLN A 48 -3.477 0.296 4.925 1.00 0.00 C ATOM 686 O GLN A 48 -2.593 0.727 5.666 1.00 0.00 O ATOM 687 CB GLN A 48 -3.070 -1.671 3.434 1.00 0.00 C ATOM 688 CG GLN A 48 -3.357 -3.128 3.110 1.00 0.00 C ATOM 689 CD GLN A 48 -2.766 -4.081 4.130 1.00 0.00 C ATOM 690 OE1 GLN A 48 -1.818 -3.740 4.839 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.324 -5.283 4.212 1.00 0.00 N ATOM 0 H GLN A 48 -5.480 -1.905 3.915 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.198 -1.718 5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.447 -1.046 2.624 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.991 -1.522 3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.435 -3.279 3.059 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.956 -3.363 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.108 -5.524 3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.969 -5.966 4.882 1.00 0.00 H new ATOM 700 N TYR A 49 -4.292 1.087 4.235 1.00 0.00 N ATOM 701 CA TYR A 49 -4.191 2.539 4.310 1.00 0.00 C ATOM 702 C TYR A 49 -4.263 3.017 5.757 1.00 0.00 C ATOM 703 O TYR A 49 -5.136 2.601 6.517 1.00 0.00 O ATOM 704 CB TYR A 49 -5.305 3.192 3.490 1.00 0.00 C ATOM 705 CG TYR A 49 -5.153 4.689 3.344 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.922 5.255 3.037 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.241 5.537 3.513 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.779 6.623 2.904 1.00 0.00 C ATOM 709 CE2 TYR A 49 -6.107 6.906 3.381 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.874 7.444 3.076 1.00 0.00 C ATOM 711 OH TYR A 49 -4.735 8.806 2.943 1.00 0.00 O ATOM 0 H TYR A 49 -5.029 0.747 3.618 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.225 2.832 3.897 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.328 2.739 2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.264 2.977 3.961 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.063 4.615 2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.208 5.119 3.752 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.815 7.047 2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.963 7.551 3.516 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.601 9.240 3.094 1.00 0.00 H new ATOM 721 N ASN A 50 -3.337 3.894 6.131 1.00 0.00 N ATOM 722 CA ASN A 50 -3.294 4.430 7.486 1.00 0.00 C ATOM 723 C ASN A 50 -4.302 5.563 7.656 1.00 0.00 C ATOM 724 O ASN A 50 -4.937 5.692 8.702 1.00 0.00 O ATOM 725 CB ASN A 50 -1.886 4.931 7.815 1.00 0.00 C ATOM 726 CG ASN A 50 -1.000 3.837 8.378 1.00 0.00 C ATOM 727 OD1 ASN A 50 -1.443 3.015 9.181 1.00 0.00 O ATOM 728 ND2 ASN A 50 0.260 3.823 7.960 1.00 0.00 N ATOM 0 H ASN A 50 -2.606 4.249 5.514 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.557 3.628 8.175 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.428 5.338 6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.953 5.747 8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.904 3.111 8.305 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.584 4.524 7.294 1.00 0.00 H new ATOM 735 N GLY A 51 -4.443 6.382 6.618 1.00 0.00 N ATOM 736 CA GLY A 51 -5.375 7.493 6.672 1.00 0.00 C ATOM 737 C GLY A 51 -6.812 7.055 6.466 1.00 0.00 C ATOM 738 O GLY A 51 -7.205 5.973 6.898 1.00 0.00 O ATOM 0 H GLY A 51 -3.929 6.296 5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.285 7.992 7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.108 8.224 5.909 1.00 0.00 H new ATOM 742 N ASN A 52 -7.598 7.900 5.806 1.00 0.00 N ATOM 743 CA ASN A 52 -9.000 7.595 5.547 1.00 0.00 C ATOM 744 C ASN A 52 -9.270 7.510 4.047 1.00 0.00 C ATOM 745 O ASN A 52 -9.194 8.511 3.334 1.00 0.00 O ATOM 746 CB ASN A 52 -9.900 8.659 6.178 1.00 0.00 C ATOM 747 CG ASN A 52 -11.250 8.103 6.591 1.00 0.00 C ATOM 748 OD1 ASN A 52 -11.565 6.944 6.321 1.00 0.00 O ATOM 749 ND2 ASN A 52 -12.054 8.930 7.249 1.00 0.00 N ATOM 0 H ASN A 52 -7.288 8.801 5.441 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.224 6.627 5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.402 9.082 7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.047 9.474 5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -12.975 8.612 7.552 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.751 9.883 7.451 1.00 0.00 H new ATOM 756 N LEU A 53 -9.585 6.309 3.576 1.00 0.00 N ATOM 757 CA LEU A 53 -9.867 6.092 2.161 1.00 0.00 C ATOM 758 C LEU A 53 -10.581 7.297 1.557 1.00 0.00 C ATOM 759 O LEU A 53 -10.292 7.701 0.432 1.00 0.00 O ATOM 760 CB LEU A 53 -10.718 4.835 1.977 1.00 0.00 C ATOM 761 CG LEU A 53 -9.952 3.535 1.729 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.591 3.401 0.258 1.00 0.00 C ATOM 763 CD2 LEU A 53 -8.702 3.480 2.594 1.00 0.00 C ATOM 0 H LEU A 53 -9.652 5.470 4.153 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.917 5.959 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.335 4.705 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.396 4.999 1.139 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.595 2.698 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.046 2.470 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.502 3.395 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.966 4.242 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.169 2.548 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.055 4.323 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.985 3.529 3.646 1.00 0.00 H new ATOM 775 N GLN A 54 -11.513 7.866 2.315 1.00 0.00 N ATOM 776 CA GLN A 54 -12.267 9.026 1.854 1.00 0.00 C ATOM 777 C GLN A 54 -11.350 10.036 1.173 1.00 0.00 C ATOM 778 O GLN A 54 -11.636 10.504 0.071 1.00 0.00 O ATOM 779 CB GLN A 54 -12.993 9.687 3.027 1.00 0.00 C ATOM 780 CG GLN A 54 -14.339 9.056 3.344 1.00 0.00 C ATOM 781 CD GLN A 54 -15.113 9.827 4.395 1.00 0.00 C ATOM 782 OE1 GLN A 54 -14.559 10.233 5.417 1.00 0.00 O ATOM 783 NE2 GLN A 54 -16.401 10.035 4.148 1.00 0.00 N ATOM 0 H GLN A 54 -11.764 7.543 3.250 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.003 8.684 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.359 9.634 3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.140 10.744 2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.932 8.998 2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.184 8.034 3.689 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -16.819 9.681 3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.972 10.549 4.818 1.00 0.00 H new ATOM 792 N ASP A 55 -10.248 10.369 1.837 1.00 0.00 N ATOM 793 CA ASP A 55 -9.288 11.324 1.295 1.00 0.00 C ATOM 794 C ASP A 55 -8.595 10.756 0.061 1.00 0.00 C ATOM 795 O ASP A 55 -8.306 11.482 -0.891 1.00 0.00 O ATOM 796 CB ASP A 55 -8.249 11.692 2.355 1.00 0.00 C ATOM 797 CG ASP A 55 -8.711 12.826 3.250 1.00 0.00 C ATOM 798 OD1 ASP A 55 -9.543 13.639 2.795 1.00 0.00 O ATOM 799 OD2 ASP A 55 -8.242 12.899 4.404 1.00 0.00 O ATOM 0 H ASP A 55 -9.998 9.992 2.751 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.831 12.223 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.032 10.816 2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.318 11.977 1.864 1.00 0.00 H new ATOM 804 N LEU A 56 -8.329 9.455 0.084 1.00 0.00 N ATOM 805 CA LEU A 56 -7.668 8.789 -1.033 1.00 0.00 C ATOM 806 C LEU A 56 -8.543 8.821 -2.282 1.00 0.00 C ATOM 807 O LEU A 56 -9.767 8.920 -2.193 1.00 0.00 O ATOM 808 CB LEU A 56 -7.336 7.341 -0.666 1.00 0.00 C ATOM 809 CG LEU A 56 -6.164 6.710 -1.418 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.932 7.596 -1.328 1.00 0.00 C ATOM 811 CD2 LEU A 56 -5.866 5.321 -0.872 1.00 0.00 C ATOM 0 H LEU A 56 -8.561 8.840 0.864 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.743 9.325 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.122 7.298 0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.223 6.731 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.441 6.614 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.108 7.130 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.151 8.569 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.652 7.725 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.029 4.887 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.610 5.393 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.745 4.687 -0.991 1.00 0.00 H new ATOM 823 N LYS A 57 -7.908 8.734 -3.445 1.00 0.00 N ATOM 824 CA LYS A 57 -8.628 8.749 -4.713 1.00 0.00 C ATOM 825 C LYS A 57 -7.781 8.142 -5.827 1.00 0.00 C ATOM 826 O LYS A 57 -6.559 8.052 -5.713 1.00 0.00 O ATOM 827 CB LYS A 57 -9.024 10.180 -5.082 1.00 0.00 C ATOM 828 CG LYS A 57 -7.936 11.203 -4.805 1.00 0.00 C ATOM 829 CD LYS A 57 -8.300 12.569 -5.361 1.00 0.00 C ATOM 830 CE LYS A 57 -7.542 13.680 -4.651 1.00 0.00 C ATOM 831 NZ LYS A 57 -7.586 14.958 -5.414 1.00 0.00 N ATOM 0 H LYS A 57 -6.895 8.652 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.530 8.148 -4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.283 10.215 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.920 10.455 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.772 11.279 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.998 10.867 -5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.078 12.600 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.372 12.733 -5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.968 13.834 -3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.504 13.378 -4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.058 15.690 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.156 14.818 -6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.575 15.260 -5.528 1.00 0.00 H new ATOM 845 N VAL A 58 -8.439 7.728 -6.906 1.00 0.00 N ATOM 846 CA VAL A 58 -7.745 7.132 -8.042 1.00 0.00 C ATOM 847 C VAL A 58 -6.987 8.188 -8.838 1.00 0.00 C ATOM 848 O VAL A 58 -7.568 9.169 -9.299 1.00 0.00 O ATOM 849 CB VAL A 58 -8.727 6.405 -8.980 1.00 0.00 C ATOM 850 CG1 VAL A 58 -7.993 5.839 -10.186 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.464 5.305 -8.230 1.00 0.00 C ATOM 0 H VAL A 58 -9.451 7.794 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.037 6.409 -7.637 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.462 7.126 -9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.703 5.329 -10.837 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.515 6.650 -10.735 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.235 5.131 -9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.154 4.802 -8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.744 4.584 -7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.023 5.741 -7.402 1.00 0.00 H new ATOM 861 N GLY A 59 -5.683 7.979 -8.997 1.00 0.00 N ATOM 862 CA GLY A 59 -4.866 8.921 -9.738 1.00 0.00 C ATOM 863 C GLY A 59 -3.985 9.761 -8.835 1.00 0.00 C ATOM 864 O GLY A 59 -3.532 10.838 -9.224 1.00 0.00 O ATOM 0 H GLY A 59 -5.179 7.174 -8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.241 8.377 -10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.512 9.577 -10.322 1.00 0.00 H new ATOM 868 N ASP A 60 -3.742 9.269 -7.625 1.00 0.00 N ATOM 869 CA ASP A 60 -2.910 9.982 -6.663 1.00 0.00 C ATOM 870 C ASP A 60 -1.751 9.108 -6.194 1.00 0.00 C ATOM 871 O ASP A 60 -1.902 7.898 -6.023 1.00 0.00 O ATOM 872 CB ASP A 60 -3.747 10.427 -5.463 1.00 0.00 C ATOM 873 CG ASP A 60 -4.497 11.717 -5.727 1.00 0.00 C ATOM 874 OD1 ASP A 60 -5.322 11.743 -6.664 1.00 0.00 O ATOM 875 OD2 ASP A 60 -4.259 12.703 -4.997 1.00 0.00 O ATOM 0 H ASP A 60 -4.109 8.379 -7.287 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.501 10.863 -7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.459 9.642 -5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.096 10.559 -4.599 1.00 0.00 H new ATOM 880 N ASP A 61 -0.594 9.728 -5.989 1.00 0.00 N ATOM 881 CA ASP A 61 0.591 9.006 -5.540 1.00 0.00 C ATOM 882 C ASP A 61 0.427 8.536 -4.098 1.00 0.00 C ATOM 883 O ASP A 61 -0.152 9.236 -3.268 1.00 0.00 O ATOM 884 CB ASP A 61 1.831 9.893 -5.662 1.00 0.00 C ATOM 885 CG ASP A 61 2.391 9.915 -7.071 1.00 0.00 C ATOM 886 OD1 ASP A 61 1.771 10.555 -7.946 1.00 0.00 O ATOM 887 OD2 ASP A 61 3.449 9.291 -7.300 1.00 0.00 O ATOM 0 H ASP A 61 -0.451 10.729 -6.127 1.00 0.00 H new ATOM 0 HA ASP A 61 0.716 8.130 -6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.579 10.909 -5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.598 9.536 -4.975 1.00 0.00 H new ATOM 892 N VAL A 62 0.940 7.344 -3.808 1.00 0.00 N ATOM 893 CA VAL A 62 0.851 6.780 -2.466 1.00 0.00 C ATOM 894 C VAL A 62 1.984 5.793 -2.209 1.00 0.00 C ATOM 895 O VAL A 62 2.381 5.042 -3.099 1.00 0.00 O ATOM 896 CB VAL A 62 -0.496 6.066 -2.246 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.572 7.066 -1.851 1.00 0.00 C ATOM 898 CG2 VAL A 62 -0.903 5.299 -3.496 1.00 0.00 C ATOM 0 H VAL A 62 1.421 6.751 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 62 0.932 7.612 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.380 5.352 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.517 6.543 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.282 7.566 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.689 7.806 -2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.857 4.801 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.002 5.992 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.142 4.555 -3.730 1.00 0.00 H new ATOM 908 N GLU A 63 2.502 5.801 -0.984 1.00 0.00 N ATOM 909 CA GLU A 63 3.590 4.906 -0.610 1.00 0.00 C ATOM 910 C GLU A 63 3.059 3.682 0.130 1.00 0.00 C ATOM 911 O GLU A 63 2.267 3.803 1.065 1.00 0.00 O ATOM 912 CB GLU A 63 4.608 5.642 0.265 1.00 0.00 C ATOM 913 CG GLU A 63 5.965 4.963 0.322 1.00 0.00 C ATOM 914 CD GLU A 63 6.718 5.271 1.602 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.137 5.086 2.692 1.00 0.00 O ATOM 916 OE2 GLU A 63 7.889 5.696 1.514 1.00 0.00 O ATOM 0 H GLU A 63 2.186 6.417 -0.235 1.00 0.00 H new ATOM 0 HA GLU A 63 4.081 4.572 -1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.734 6.656 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.211 5.727 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.832 3.885 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.563 5.281 -0.532 1.00 0.00 H new ATOM 923 N PHE A 64 3.500 2.503 -0.295 1.00 0.00 N ATOM 924 CA PHE A 64 3.068 1.256 0.325 1.00 0.00 C ATOM 925 C PHE A 64 4.215 0.252 0.383 1.00 0.00 C ATOM 926 O PHE A 64 5.310 0.516 -0.111 1.00 0.00 O ATOM 927 CB PHE A 64 1.891 0.658 -0.448 1.00 0.00 C ATOM 928 CG PHE A 64 2.144 0.532 -1.923 1.00 0.00 C ATOM 929 CD1 PHE A 64 2.719 -0.615 -2.445 1.00 0.00 C ATOM 930 CD2 PHE A 64 1.806 1.561 -2.788 1.00 0.00 C ATOM 931 CE1 PHE A 64 2.954 -0.733 -3.802 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.038 1.448 -4.145 1.00 0.00 C ATOM 933 CZ PHE A 64 2.612 0.299 -4.653 1.00 0.00 C ATOM 0 H PHE A 64 4.157 2.385 -1.067 1.00 0.00 H new ATOM 0 HA PHE A 64 2.750 1.477 1.344 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.663 -0.327 -0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.010 1.280 -0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.987 -1.426 -1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.356 2.461 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.405 -1.632 -4.196 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.771 2.257 -4.808 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.793 0.208 -5.714 1.00 0.00 H new ATOM 943 N GLU A 65 3.954 -0.901 0.992 1.00 0.00 N ATOM 944 CA GLU A 65 4.966 -1.945 1.116 1.00 0.00 C ATOM 945 C GLU A 65 4.495 -3.239 0.460 1.00 0.00 C ATOM 946 O GLU A 65 3.428 -3.761 0.784 1.00 0.00 O ATOM 947 CB GLU A 65 5.292 -2.197 2.590 1.00 0.00 C ATOM 948 CG GLU A 65 5.887 -3.569 2.855 1.00 0.00 C ATOM 949 CD GLU A 65 7.270 -3.732 2.255 1.00 0.00 C ATOM 950 OE1 GLU A 65 8.252 -3.321 2.906 1.00 0.00 O ATOM 951 OE2 GLU A 65 7.369 -4.271 1.132 1.00 0.00 O ATOM 0 H GLU A 65 3.052 -1.136 1.407 1.00 0.00 H new ATOM 0 HA GLU A 65 5.867 -1.605 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.991 -1.435 2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.382 -2.085 3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.940 -3.736 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.226 -4.333 2.446 1.00 0.00 H new ATOM 958 N VAL A 66 5.299 -3.752 -0.466 1.00 0.00 N ATOM 959 CA VAL A 66 4.967 -4.986 -1.169 1.00 0.00 C ATOM 960 C VAL A 66 5.290 -6.208 -0.317 1.00 0.00 C ATOM 961 O VAL A 66 6.453 -6.474 -0.012 1.00 0.00 O ATOM 962 CB VAL A 66 5.723 -5.091 -2.507 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.468 -6.440 -3.160 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.321 -3.955 -3.436 1.00 0.00 C ATOM 0 H VAL A 66 6.185 -3.332 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 66 3.896 -4.959 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 66 6.791 -5.007 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.010 -6.496 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.810 -7.235 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.401 -6.558 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.865 -4.045 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.250 -4.005 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.561 -3.000 -2.968 1.00 0.00 H new ATOM 974 N SER A 67 4.254 -6.948 0.063 1.00 0.00 N ATOM 975 CA SER A 67 4.428 -8.142 0.883 1.00 0.00 C ATOM 976 C SER A 67 3.812 -9.362 0.204 1.00 0.00 C ATOM 977 O SER A 67 3.138 -9.242 -0.819 1.00 0.00 O ATOM 978 CB SER A 67 3.794 -7.937 2.260 1.00 0.00 C ATOM 979 OG SER A 67 4.367 -8.808 3.220 1.00 0.00 O ATOM 0 H SER A 67 3.286 -6.743 -0.183 1.00 0.00 H new ATOM 0 HA SER A 67 5.497 -8.317 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.930 -6.903 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.720 -8.113 2.199 1.00 0.00 H new ATOM 0 HG SER A 67 3.946 -8.656 4.092 1.00 0.00 H new ATOM 985 N SER A 68 4.050 -10.535 0.782 1.00 0.00 N ATOM 986 CA SER A 68 3.522 -11.778 0.231 1.00 0.00 C ATOM 987 C SER A 68 2.315 -12.258 1.032 1.00 0.00 C ATOM 988 O SER A 68 2.399 -12.454 2.244 1.00 0.00 O ATOM 989 CB SER A 68 4.606 -12.858 0.225 1.00 0.00 C ATOM 990 OG SER A 68 5.252 -12.940 1.484 1.00 0.00 O ATOM 0 H SER A 68 4.604 -10.651 1.630 1.00 0.00 H new ATOM 0 HA SER A 68 3.203 -11.586 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.162 -13.822 -0.023 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.340 -12.637 -0.550 1.00 0.00 H new ATOM 0 HG SER A 68 5.939 -13.638 1.454 1.00 0.00 H new ATOM 996 N ASP A 69 1.194 -12.444 0.345 1.00 0.00 N ATOM 997 CA ASP A 69 -0.031 -12.902 0.990 1.00 0.00 C ATOM 998 C ASP A 69 0.189 -14.242 1.684 1.00 0.00 C ATOM 999 O ASP A 69 1.238 -14.868 1.530 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.158 -13.024 -0.037 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.532 -12.965 0.602 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -2.726 -12.136 1.516 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.413 -13.746 0.187 1.00 0.00 O ATOM 0 H ASP A 69 1.108 -12.285 -0.659 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.314 -12.166 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.066 -12.222 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.052 -13.964 -0.578 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.807 -14.676 2.450 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.722 -15.941 3.171 1.00 0.00 C ATOM 1010 C ARG A 70 -1.686 -16.968 2.583 1.00 0.00 C ATOM 1011 O ARG A 70 -1.769 -18.099 3.060 1.00 0.00 O ATOM 1012 CB ARG A 70 -1.027 -15.729 4.654 1.00 0.00 C ATOM 1013 CG ARG A 70 -0.331 -14.518 5.253 1.00 0.00 C ATOM 1014 CD ARG A 70 1.166 -14.749 5.393 1.00 0.00 C ATOM 1015 NE ARG A 70 1.881 -14.477 4.149 1.00 0.00 N ATOM 1016 CZ ARG A 70 3.062 -15.005 3.849 1.00 0.00 C ATOM 1017 NH1 ARG A 70 3.657 -15.830 4.699 1.00 0.00 N ATOM 1018 NH2 ARG A 70 3.649 -14.709 2.697 1.00 0.00 N ATOM 0 H ARG A 70 -1.682 -14.170 2.587 1.00 0.00 H new ATOM 0 HA ARG A 70 0.294 -16.322 3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.104 -15.619 4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.729 -16.619 5.208 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.509 -13.646 4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.759 -14.297 6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.559 -14.110 6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.347 -15.780 5.697 1.00 0.00 H new ATOM 0 HE ARG A 70 1.449 -13.847 3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.208 -16.060 5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.564 -16.235 4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.193 -14.075 2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.556 -15.115 2.468 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.412 -16.564 1.546 1.00 0.00 N ATOM 1033 CA ARG A 71 -3.371 -17.448 0.894 1.00 0.00 C ATOM 1034 C ARG A 71 -2.972 -17.709 -0.555 1.00 0.00 C ATOM 1035 O ARG A 71 -3.185 -18.802 -1.082 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.774 -16.840 0.947 1.00 0.00 C ATOM 1037 CG ARG A 71 -5.209 -16.432 2.345 1.00 0.00 C ATOM 1038 CD ARG A 71 -6.719 -16.270 2.433 1.00 0.00 C ATOM 1039 NE ARG A 71 -7.204 -16.406 3.804 1.00 0.00 N ATOM 1040 CZ ARG A 71 -7.180 -17.548 4.482 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -6.696 -18.647 3.920 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -7.640 -17.592 5.726 1.00 0.00 N ATOM 0 H ARG A 71 -2.355 -15.630 1.139 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.374 -18.398 1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.807 -15.966 0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.488 -17.561 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.880 -17.183 3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.725 -15.495 2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.002 -15.292 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.201 -17.016 1.802 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.582 -15.579 4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.341 -18.617 2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.679 -19.522 4.443 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.012 -16.749 6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.621 -18.469 6.246 1.00 0.00 H new ATOM 1056 N THR A 72 -2.392 -16.699 -1.196 1.00 0.00 N ATOM 1057 CA THR A 72 -1.965 -16.819 -2.584 1.00 0.00 C ATOM 1058 C THR A 72 -0.483 -16.495 -2.733 1.00 0.00 C ATOM 1059 O THR A 72 0.096 -16.673 -3.804 1.00 0.00 O ATOM 1060 CB THR A 72 -2.777 -15.887 -3.504 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.357 -14.530 -3.321 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.266 -16.005 -3.215 1.00 0.00 C ATOM 0 H THR A 72 -2.207 -15.788 -0.775 1.00 0.00 H new ATOM 0 HA THR A 72 -2.140 -17.853 -2.880 1.00 0.00 H new ATOM 0 HB THR A 72 -2.598 -16.186 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.056 -13.925 -3.645 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.819 -15.338 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.589 -17.032 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.458 -15.729 -2.178 1.00 0.00 H new ATOM 1070 N GLY A 73 0.126 -16.020 -1.651 1.00 0.00 N ATOM 1071 CA GLY A 73 1.537 -15.680 -1.683 1.00 0.00 C ATOM 1072 C GLY A 73 1.857 -14.634 -2.732 1.00 0.00 C ATOM 1073 O GLY A 73 3.022 -14.417 -3.069 1.00 0.00 O ATOM 0 H GLY A 73 -0.332 -15.865 -0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.841 -15.312 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.120 -16.579 -1.881 1.00 0.00 H new ATOM 1077 N LYS A 74 0.822 -13.983 -3.252 1.00 0.00 N ATOM 1078 CA LYS A 74 0.998 -12.954 -4.270 1.00 0.00 C ATOM 1079 C LYS A 74 1.432 -11.634 -3.639 1.00 0.00 C ATOM 1080 O LYS A 74 1.128 -11.341 -2.483 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.302 -12.754 -5.052 1.00 0.00 C ATOM 1082 CG LYS A 74 -0.904 -14.047 -5.573 1.00 0.00 C ATOM 1083 CD LYS A 74 -0.338 -14.416 -6.934 1.00 0.00 C ATOM 1084 CE LYS A 74 -1.306 -15.285 -7.723 1.00 0.00 C ATOM 1085 NZ LYS A 74 -2.290 -14.467 -8.485 1.00 0.00 N ATOM 0 H LYS A 74 -0.148 -14.150 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 74 1.779 -13.284 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.029 -12.257 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.111 -12.087 -5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.707 -14.852 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.987 -13.943 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.120 -13.508 -7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.606 -14.945 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.747 -15.917 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.837 -15.949 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.932 -15.095 -9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.841 -13.882 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.785 -13.851 -9.154 1.00 0.00 H new ATOM 1099 N PRO A 75 2.160 -10.818 -4.416 1.00 0.00 N ATOM 1100 CA PRO A 75 2.650 -9.516 -3.955 1.00 0.00 C ATOM 1101 C PRO A 75 1.524 -8.503 -3.777 1.00 0.00 C ATOM 1102 O PRO A 75 1.019 -7.944 -4.751 1.00 0.00 O ATOM 1103 CB PRO A 75 3.593 -9.074 -5.077 1.00 0.00 C ATOM 1104 CG PRO A 75 3.100 -9.786 -6.289 1.00 0.00 C ATOM 1105 CD PRO A 75 2.560 -11.103 -5.804 1.00 0.00 C ATOM 0 HA PRO A 75 3.129 -9.584 -2.978 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.565 -7.993 -5.214 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.626 -9.341 -4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.325 -9.208 -6.793 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.905 -9.935 -7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.714 -11.436 -6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.314 -11.888 -5.852 1.00 0.00 H new ATOM 1113 N ILE A 76 1.136 -8.270 -2.527 1.00 0.00 N ATOM 1114 CA ILE A 76 0.071 -7.323 -2.222 1.00 0.00 C ATOM 1115 C ILE A 76 0.613 -6.107 -1.478 1.00 0.00 C ATOM 1116 O ILE A 76 1.682 -6.164 -0.871 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.038 -7.976 -1.377 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.456 -8.535 -0.076 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.730 -9.076 -2.169 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.458 -8.601 1.055 1.00 0.00 C ATOM 0 H ILE A 76 1.544 -8.724 -1.710 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.350 -7.004 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.778 -7.216 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.065 -9.535 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.386 -7.915 0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.511 -9.528 -1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.174 -8.652 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.001 -9.837 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.976 -9.007 1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.831 -7.600 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.289 -9.244 0.767 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.133 -5.009 -1.529 1.00 0.00 N ATOM 1133 CA ALA A 77 0.270 -3.780 -0.857 1.00 0.00 C ATOM 1134 C ALA A 77 -0.242 -3.747 0.579 1.00 0.00 C ATOM 1135 O ALA A 77 -1.345 -4.211 0.867 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.233 -2.568 -1.627 1.00 0.00 C ATOM 0 H ALA A 77 -1.020 -4.945 -2.029 1.00 0.00 H new ATOM 0 HA ALA A 77 1.359 -3.751 -0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.075 -1.657 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.186 -2.577 -2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.321 -2.600 -1.686 1.00 0.00 H new ATOM 1142 N VAL A 78 0.567 -3.195 1.478 1.00 0.00 N ATOM 1143 CA VAL A 78 0.195 -3.100 2.885 1.00 0.00 C ATOM 1144 C VAL A 78 0.711 -1.806 3.504 1.00 0.00 C ATOM 1145 O VAL A 78 1.607 -1.159 2.961 1.00 0.00 O ATOM 1146 CB VAL A 78 0.740 -4.295 3.691 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.104 -5.593 3.216 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.256 -4.363 3.583 1.00 0.00 C ATOM 0 H VAL A 78 1.484 -2.807 1.257 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.894 -3.109 2.926 1.00 0.00 H new ATOM 0 HB VAL A 78 0.480 -4.153 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.501 -6.426 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.976 -5.539 3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.332 -5.745 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.624 -5.213 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.541 -4.481 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.690 -3.444 3.976 1.00 0.00 H new ATOM 1158 N LYS A 79 0.141 -1.434 4.645 1.00 0.00 N ATOM 1159 CA LYS A 79 0.544 -0.218 5.342 1.00 0.00 C ATOM 1160 C LYS A 79 0.646 0.955 4.372 1.00 0.00 C ATOM 1161 O LYS A 79 1.649 1.670 4.350 1.00 0.00 O ATOM 1162 CB LYS A 79 1.886 -0.430 6.046 1.00 0.00 C ATOM 1163 CG LYS A 79 1.964 -1.730 6.828 1.00 0.00 C ATOM 1164 CD LYS A 79 3.385 -2.267 6.874 1.00 0.00 C ATOM 1165 CE LYS A 79 3.403 -3.786 6.953 1.00 0.00 C ATOM 1166 NZ LYS A 79 4.765 -4.338 6.710 1.00 0.00 N ATOM 0 H LYS A 79 -0.602 -1.958 5.107 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.217 0.014 6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.683 -0.415 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.067 0.404 6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.602 -1.568 7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.308 -2.471 6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.927 -1.941 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.905 -1.850 7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.053 -4.103 7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.709 -4.196 6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.687 -5.318 6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.250 -3.762 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.310 -4.320 7.596 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.397 1.149 3.573 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.426 2.238 2.603 1.00 0.00 C ATOM 1182 C LEU A 80 -0.370 3.592 3.301 1.00 0.00 C ATOM 1183 O LEU A 80 -0.705 3.709 4.480 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.687 2.147 1.742 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.491 2.357 0.240 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.346 1.021 -0.472 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.652 3.151 -0.343 1.00 0.00 C ATOM 0 H LEU A 80 -1.234 0.566 3.578 1.00 0.00 H new ATOM 0 HA LEU A 80 0.451 2.144 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.138 1.166 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.402 2.887 2.102 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.574 2.927 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.207 1.191 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.482 0.489 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.244 0.425 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.496 3.291 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.583 2.607 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.709 4.124 0.146 1.00 0.00 H new ATOM 1199 N VAL A 81 0.054 4.615 2.566 1.00 0.00 N ATOM 1200 CA VAL A 81 0.151 5.963 3.113 1.00 0.00 C ATOM 1201 C VAL A 81 0.310 6.997 2.004 1.00 0.00 C ATOM 1202 O VAL A 81 1.140 6.841 1.108 1.00 0.00 O ATOM 1203 CB VAL A 81 1.335 6.088 4.090 1.00 0.00 C ATOM 1204 CG1 VAL A 81 2.547 5.338 3.559 1.00 0.00 C ATOM 1205 CG2 VAL A 81 1.670 7.551 4.336 1.00 0.00 C ATOM 0 H VAL A 81 0.336 4.536 1.589 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.777 6.153 3.652 1.00 0.00 H new ATOM 0 HB VAL A 81 1.048 5.639 5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.374 5.438 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.298 4.284 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.839 5.755 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.509 7.621 5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.938 8.027 3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.804 8.056 4.763 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.492 8.054 2.070 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.441 9.117 1.073 1.00 0.00 C ATOM 1217 C LYS A 82 0.874 9.884 1.162 1.00 0.00 C ATOM 1218 O LYS A 82 1.250 10.368 2.231 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.618 10.077 1.260 1.00 0.00 C ATOM 1220 CG LYS A 82 -2.083 10.727 -0.031 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.562 11.073 0.021 1.00 0.00 C ATOM 1222 CE LYS A 82 -3.965 11.971 -1.139 1.00 0.00 C ATOM 1223 NZ LYS A 82 -5.441 11.996 -1.334 1.00 0.00 N ATOM 0 H LYS A 82 -1.186 8.198 2.804 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.507 8.659 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.452 9.534 1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.332 10.856 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.503 11.632 -0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.895 10.053 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.152 10.157 -0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.787 11.571 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.606 12.984 -0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.484 11.622 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.707 12.851 -1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.735 11.153 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.914 12.002 -0.408 1.00 0.00 H new ATOM 1237 N ILE A 83 1.569 9.992 0.035 1.00 0.00 N ATOM 1238 CA ILE A 83 2.841 10.703 -0.013 1.00 0.00 C ATOM 1239 C ILE A 83 2.648 12.192 0.252 1.00 0.00 C ATOM 1240 O ILE A 83 3.228 12.747 1.186 1.00 0.00 O ATOM 1241 CB ILE A 83 3.536 10.522 -1.376 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.474 9.057 -1.813 1.00 0.00 C ATOM 1243 CG2 ILE A 83 4.979 10.998 -1.301 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.550 8.677 -2.807 1.00 0.00 C ATOM 0 H ILE A 83 1.273 9.596 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 83 3.471 10.276 0.767 1.00 0.00 H new ATOM 0 HB ILE A 83 3.013 11.125 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.562 8.420 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.497 8.859 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.457 10.864 -2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.000 12.053 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.515 10.418 -0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.445 7.625 -3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.450 9.289 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.531 8.843 -2.362 1.00 0.00 H new ATOM 1256 N SER A 84 1.829 12.834 -0.574 1.00 0.00 N ATOM 1257 CA SER A 84 1.561 14.260 -0.430 1.00 0.00 C ATOM 1258 C SER A 84 0.481 14.507 0.619 1.00 0.00 C ATOM 1259 O SER A 84 -0.587 13.897 0.582 1.00 0.00 O ATOM 1260 CB SER A 84 1.132 14.858 -1.771 1.00 0.00 C ATOM 1261 OG SER A 84 -0.071 14.267 -2.231 1.00 0.00 O ATOM 0 H SER A 84 1.339 12.389 -1.350 1.00 0.00 H new ATOM 0 HA SER A 84 2.480 14.746 -0.101 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.995 15.934 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.920 14.708 -2.509 1.00 0.00 H new ATOM 0 HG SER A 84 -0.549 13.868 -1.475 1.00 0.00 H new ATOM 1267 N GLY A 85 0.767 15.407 1.554 1.00 0.00 N ATOM 1268 CA GLY A 85 -0.188 15.719 2.601 1.00 0.00 C ATOM 1269 C GLY A 85 -0.096 17.161 3.059 1.00 0.00 C ATOM 1270 O GLY A 85 0.555 17.479 4.054 1.00 0.00 O ATOM 0 H GLY A 85 1.644 15.926 1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.197 15.520 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.018 15.059 3.452 1.00 0.00 H new ATOM 1274 N PRO A 86 -0.759 18.064 2.320 1.00 0.00 N ATOM 1275 CA PRO A 86 -0.763 19.495 2.636 1.00 0.00 C ATOM 1276 C PRO A 86 -1.553 19.807 3.903 1.00 0.00 C ATOM 1277 O PRO A 86 -2.783 19.844 3.886 1.00 0.00 O ATOM 1278 CB PRO A 86 -1.439 20.126 1.416 1.00 0.00 C ATOM 1279 CG PRO A 86 -2.290 19.041 0.852 1.00 0.00 C ATOM 1280 CD PRO A 86 -1.555 17.757 1.120 1.00 0.00 C ATOM 0 HA PRO A 86 0.241 19.873 2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.037 20.992 1.699 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.703 20.470 0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.274 19.033 1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.448 19.185 -0.217 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.242 16.929 1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.922 17.473 0.279 1.00 0.00 H new ATOM 1288 N SER A 87 -0.837 20.031 5.001 1.00 0.00 N ATOM 1289 CA SER A 87 -1.472 20.336 6.278 1.00 0.00 C ATOM 1290 C SER A 87 -2.075 21.737 6.263 1.00 0.00 C ATOM 1291 O SER A 87 -1.539 22.649 5.635 1.00 0.00 O ATOM 1292 CB SER A 87 -0.458 20.217 7.417 1.00 0.00 C ATOM 1293 OG SER A 87 -1.092 20.332 8.679 1.00 0.00 O ATOM 0 H SER A 87 0.182 20.007 5.032 1.00 0.00 H new ATOM 0 HA SER A 87 -2.274 19.616 6.439 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.057 19.258 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.300 20.993 7.315 1.00 0.00 H new ATOM 0 HG SER A 87 -0.422 20.251 9.390 1.00 0.00 H new ATOM 1299 N SER A 88 -3.195 21.900 6.961 1.00 0.00 N ATOM 1300 CA SER A 88 -3.875 23.188 7.027 1.00 0.00 C ATOM 1301 C SER A 88 -3.943 23.694 8.464 1.00 0.00 C ATOM 1302 O SER A 88 -3.712 24.873 8.731 1.00 0.00 O ATOM 1303 CB SER A 88 -5.285 23.074 6.446 1.00 0.00 C ATOM 1304 OG SER A 88 -5.811 24.351 6.128 1.00 0.00 O ATOM 0 H SER A 88 -3.650 21.155 7.489 1.00 0.00 H new ATOM 0 HA SER A 88 -3.303 23.904 6.436 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.263 22.453 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.938 22.577 7.163 1.00 0.00 H new ATOM 0 HG SER A 88 -6.712 24.250 5.757 1.00 0.00 H new ATOM 1310 N GLY A 89 -4.263 22.793 9.388 1.00 0.00 N ATOM 1311 CA GLY A 89 -4.357 23.165 10.787 1.00 0.00 C ATOM 1312 C GLY A 89 -5.706 22.823 11.389 1.00 0.00 C ATOM 1313 O GLY A 89 -6.703 22.719 10.675 1.00 0.00 O ATOM 0 H GLY A 89 -4.459 21.811 9.192 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.573 22.657 11.348 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.179 24.236 10.888 1.00 0.00 H new TER 1317 GLY A 89