USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 964 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 61 LYS NZ :NH3+ 146:sc= -4.3! (180deg=-5.93!) USER MOD Set 1.2: A 119 ASN : amide:sc= -0.357 X(o=-4.7,f=-4.4) USER MOD Set 2.1: A 37 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 40 CYS SG : rot 140:sc= -0.135 USER MOD Set 3.1: A 16 SER OG : rot 180:sc= -0.268 USER MOD Set 3.2: A 19 LYS NZ :NH3+ -145:sc= 0.139 (180deg=-0.347) USER MOD Set 3.3: A 20 ASN : amide:sc= -2.26 K(o=-2.4,f=1.8) 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= -0.22 USER MOD Single : A 5 SER OG : rot 61:sc= 0.682 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -69:sc= 0.0247 USER MOD Single : A 29 MET CE :methyl 163:sc= -0.0941 (180deg=-0.627) USER MOD Single : A 33 TYR OH : rot -71:sc=4.47e-05 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0855 K(o=-0.085,f=-1.8!) USER MOD Single : A 52 SER OG : rot 85:sc= 0.118 USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= 0.283 (180deg=0.165) USER MOD Single : A 57 GLN : amide:sc= -5.31! C(o=-5.3!,f=-2.4!) USER MOD Single : A 58 THR OG1 : rot -83:sc= 1.53 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= -2.61! (180deg=-3.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00241 USER MOD Single : A 72 ASN : amide:sc= -3.8! C(o=-3.8!,f=-4.4!) USER MOD Single : A 73 GLN : amide:sc= -0.066 K(o=-0.066,f=-0.59) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 111:sc= 1.73 USER MOD Single : A 86 THR OG1 : rot -29:sc= 0.676 USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= -1.76! (180deg=-2.09!) USER MOD Single : A 91 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.59) USER MOD Single : A 92 LYS NZ :NH3+ -115:sc= -0.0468 (180deg=-1.09) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -61:sc= 0.477 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.596 6.112 -4.618 1.00 0.00 N ATOM 2 CA GLY A 1 -9.761 5.648 -5.348 1.00 0.00 C ATOM 3 C GLY A 1 -11.054 5.901 -4.598 1.00 0.00 C ATOM 4 O GLY A 1 -11.218 6.943 -3.964 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.738 5.916 -5.172 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.675 7.136 -4.452 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.539 5.617 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.802 6.148 -6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.661 4.580 -5.544 1.00 0.00 H new ATOM 8 N SER A 2 -11.975 4.946 -4.671 1.00 0.00 N ATOM 9 CA SER A 2 -13.262 5.073 -3.998 1.00 0.00 C ATOM 10 C SER A 2 -13.298 4.225 -2.729 1.00 0.00 C ATOM 11 O SER A 2 -13.415 3.002 -2.790 1.00 0.00 O ATOM 12 CB SER A 2 -14.396 4.654 -4.936 1.00 0.00 C ATOM 13 OG SER A 2 -15.642 4.650 -4.261 1.00 0.00 O ATOM 0 H SER A 2 -11.854 4.076 -5.189 1.00 0.00 H new ATOM 0 HA SER A 2 -13.397 6.118 -3.720 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.441 5.337 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.193 3.661 -5.336 1.00 0.00 H new ATOM 0 HG SER A 2 -16.350 4.380 -4.883 1.00 0.00 H new ATOM 19 N SER A 3 -13.197 4.886 -1.581 1.00 0.00 N ATOM 20 CA SER A 3 -13.214 4.195 -0.297 1.00 0.00 C ATOM 21 C SER A 3 -14.452 4.575 0.509 1.00 0.00 C ATOM 22 O SER A 3 -15.164 5.519 0.167 1.00 0.00 O ATOM 23 CB SER A 3 -11.951 4.526 0.501 1.00 0.00 C ATOM 24 OG SER A 3 -11.876 3.748 1.683 1.00 0.00 O ATOM 0 H SER A 3 -13.103 5.899 -1.513 1.00 0.00 H new ATOM 0 HA SER A 3 -13.243 3.123 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.070 4.344 -0.114 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.947 5.585 0.758 1.00 0.00 H new ATOM 0 HG SER A 3 -11.059 3.977 2.174 1.00 0.00 H new ATOM 30 N GLY A 4 -14.704 3.832 1.582 1.00 0.00 N ATOM 31 CA GLY A 4 -15.856 4.105 2.421 1.00 0.00 C ATOM 32 C GLY A 4 -15.581 3.844 3.888 1.00 0.00 C ATOM 33 O GLY A 4 -15.254 4.763 4.638 1.00 0.00 O ATOM 0 H GLY A 4 -14.130 3.045 1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.158 5.144 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.693 3.487 2.096 1.00 0.00 H new ATOM 37 N SER A 5 -15.715 2.587 4.299 1.00 0.00 N ATOM 38 CA SER A 5 -15.483 2.208 5.688 1.00 0.00 C ATOM 39 C SER A 5 -14.039 1.763 5.896 1.00 0.00 C ATOM 40 O SER A 5 -13.775 0.773 6.578 1.00 0.00 O ATOM 41 CB SER A 5 -16.439 1.087 6.099 1.00 0.00 C ATOM 42 OG SER A 5 -16.011 -0.162 5.583 1.00 0.00 O ATOM 0 H SER A 5 -15.983 1.814 3.690 1.00 0.00 H new ATOM 0 HA SER A 5 -15.669 3.081 6.313 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.497 1.034 7.186 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.443 1.309 5.737 1.00 0.00 H new ATOM 0 HG SER A 5 -15.124 -0.377 5.941 1.00 0.00 H new ATOM 48 N SER A 6 -13.107 2.503 5.304 1.00 0.00 N ATOM 49 CA SER A 6 -11.689 2.184 5.421 1.00 0.00 C ATOM 50 C SER A 6 -10.856 3.454 5.568 1.00 0.00 C ATOM 51 O SER A 6 -11.353 4.562 5.372 1.00 0.00 O ATOM 52 CB SER A 6 -11.221 1.392 4.198 1.00 0.00 C ATOM 53 OG SER A 6 -11.774 0.088 4.192 1.00 0.00 O ATOM 0 H SER A 6 -13.308 3.328 4.738 1.00 0.00 H new ATOM 0 HA SER A 6 -11.551 1.575 6.315 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.511 1.917 3.288 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.133 1.329 4.197 1.00 0.00 H new ATOM 0 HG SER A 6 -11.461 -0.396 3.400 1.00 0.00 H new ATOM 59 N GLY A 7 -9.584 3.283 5.916 1.00 0.00 N ATOM 60 CA GLY A 7 -8.702 4.423 6.084 1.00 0.00 C ATOM 61 C GLY A 7 -8.476 5.177 4.789 1.00 0.00 C ATOM 62 O GLY A 7 -9.429 5.590 4.128 1.00 0.00 O ATOM 0 H GLY A 7 -9.149 2.376 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.126 5.100 6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.743 4.082 6.474 1.00 0.00 H new ATOM 66 N ASP A 8 -7.211 5.360 4.426 1.00 0.00 N ATOM 67 CA ASP A 8 -6.862 6.071 3.201 1.00 0.00 C ATOM 68 C ASP A 8 -6.199 5.132 2.198 1.00 0.00 C ATOM 69 O ASP A 8 -5.566 5.577 1.240 1.00 0.00 O ATOM 70 CB ASP A 8 -5.932 7.243 3.514 1.00 0.00 C ATOM 71 CG ASP A 8 -6.669 8.424 4.115 1.00 0.00 C ATOM 72 OD1 ASP A 8 -7.374 9.128 3.362 1.00 0.00 O ATOM 73 OD2 ASP A 8 -6.542 8.644 5.338 1.00 0.00 O ATOM 0 H ASP A 8 -6.410 5.026 4.962 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.781 6.455 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.156 6.913 4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.430 7.559 2.599 1.00 0.00 H new ATOM 78 N VAL A 9 -6.346 3.831 2.426 1.00 0.00 N ATOM 79 CA VAL A 9 -5.761 2.829 1.543 1.00 0.00 C ATOM 80 C VAL A 9 -6.441 2.835 0.178 1.00 0.00 C ATOM 81 O VAL A 9 -7.654 3.025 0.079 1.00 0.00 O ATOM 82 CB VAL A 9 -5.865 1.417 2.149 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.148 0.404 1.269 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.300 1.402 3.562 1.00 0.00 C ATOM 0 H VAL A 9 -6.865 3.446 3.215 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.709 3.089 1.423 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.918 1.138 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.232 -0.588 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.602 0.397 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.096 0.676 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.381 0.397 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.252 1.701 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.862 2.097 4.186 1.00 0.00 H new ATOM 94 N ILE A 10 -5.653 2.626 -0.871 1.00 0.00 N ATOM 95 CA ILE A 10 -6.179 2.606 -2.230 1.00 0.00 C ATOM 96 C ILE A 10 -6.067 1.214 -2.842 1.00 0.00 C ATOM 97 O ILE A 10 -5.037 0.553 -2.719 1.00 0.00 O ATOM 98 CB ILE A 10 -5.444 3.614 -3.133 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.580 5.030 -2.572 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.987 3.546 -4.553 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.653 6.031 -3.225 1.00 0.00 C ATOM 0 H ILE A 10 -4.647 2.468 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.230 2.888 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.386 3.354 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.610 5.365 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.381 5.008 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.458 4.264 -5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.842 2.541 -4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.051 3.784 -4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.805 7.013 -2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.619 5.720 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.867 6.082 -4.293 1.00 0.00 H new ATOM 113 N GLU A 11 -7.134 0.777 -3.504 1.00 0.00 N ATOM 114 CA GLU A 11 -7.154 -0.536 -4.137 1.00 0.00 C ATOM 115 C GLU A 11 -6.829 -0.429 -5.624 1.00 0.00 C ATOM 116 O GLU A 11 -7.433 0.364 -6.348 1.00 0.00 O ATOM 117 CB GLU A 11 -8.521 -1.197 -3.949 1.00 0.00 C ATOM 118 CG GLU A 11 -8.568 -2.642 -4.416 1.00 0.00 C ATOM 119 CD GLU A 11 -9.975 -3.208 -4.421 1.00 0.00 C ATOM 120 OE1 GLU A 11 -10.512 -3.475 -3.326 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.540 -3.383 -5.521 1.00 0.00 O ATOM 0 H GLU A 11 -7.995 1.313 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.392 -1.152 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.793 -1.156 -2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.271 -0.623 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.150 -2.709 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.938 -3.250 -3.767 1.00 0.00 H new ATOM 128 N LEU A 12 -5.870 -1.231 -6.073 1.00 0.00 N ATOM 129 CA LEU A 12 -5.463 -1.227 -7.474 1.00 0.00 C ATOM 130 C LEU A 12 -5.676 -2.598 -8.107 1.00 0.00 C ATOM 131 O LEU A 12 -5.889 -3.590 -7.410 1.00 0.00 O ATOM 132 CB LEU A 12 -3.994 -0.818 -7.598 1.00 0.00 C ATOM 133 CG LEU A 12 -3.626 0.548 -7.017 1.00 0.00 C ATOM 134 CD1 LEU A 12 -2.117 0.686 -6.891 1.00 0.00 C ATOM 135 CD2 LEU A 12 -4.195 1.665 -7.879 1.00 0.00 C ATOM 0 H LEU A 12 -5.360 -1.892 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.081 -0.503 -8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.384 -1.576 -7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.723 -0.826 -8.654 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.062 0.627 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.875 1.664 -6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.734 -0.093 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.659 0.586 -7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.923 2.630 -7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.789 1.589 -8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.281 1.578 -7.917 1.00 0.00 H new ATOM 147 N THR A 13 -5.614 -2.647 -9.435 1.00 0.00 N ATOM 148 CA THR A 13 -5.798 -3.896 -10.162 1.00 0.00 C ATOM 149 C THR A 13 -4.656 -4.136 -11.143 1.00 0.00 C ATOM 150 O THR A 13 -3.871 -3.231 -11.429 1.00 0.00 O ATOM 151 CB THR A 13 -7.132 -3.905 -10.933 1.00 0.00 C ATOM 152 OG1 THR A 13 -8.192 -3.453 -10.084 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.449 -5.301 -11.449 1.00 0.00 C ATOM 0 H THR A 13 -5.438 -1.836 -10.028 1.00 0.00 H new ATOM 0 HA THR A 13 -5.809 -4.694 -9.420 1.00 0.00 H new ATOM 0 HB THR A 13 -7.038 -3.232 -11.785 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.036 -3.460 -10.582 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.395 -5.283 -11.990 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.654 -5.631 -12.119 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.525 -5.991 -10.609 1.00 0.00 H new ATOM 161 N ASP A 14 -4.569 -5.358 -11.655 1.00 0.00 N ATOM 162 CA ASP A 14 -3.522 -5.716 -12.605 1.00 0.00 C ATOM 163 C ASP A 14 -3.382 -4.649 -13.686 1.00 0.00 C ATOM 164 O ASP A 14 -2.279 -4.364 -14.152 1.00 0.00 O ATOM 165 CB ASP A 14 -3.827 -7.072 -13.246 1.00 0.00 C ATOM 166 CG ASP A 14 -4.803 -6.960 -14.400 1.00 0.00 C ATOM 167 OD1 ASP A 14 -5.998 -6.705 -14.145 1.00 0.00 O ATOM 168 OD2 ASP A 14 -4.371 -7.127 -15.560 1.00 0.00 O ATOM 0 H ASP A 14 -5.211 -6.118 -11.428 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.580 -5.783 -12.061 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.899 -7.520 -13.601 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.237 -7.743 -12.491 1.00 0.00 H new ATOM 173 N ASP A 15 -4.507 -4.064 -14.082 1.00 0.00 N ATOM 174 CA ASP A 15 -4.510 -3.028 -15.108 1.00 0.00 C ATOM 175 C ASP A 15 -4.606 -1.641 -14.480 1.00 0.00 C ATOM 176 O ASP A 15 -4.076 -0.668 -15.017 1.00 0.00 O ATOM 177 CB ASP A 15 -5.674 -3.244 -16.077 1.00 0.00 C ATOM 178 CG ASP A 15 -5.529 -2.428 -17.347 1.00 0.00 C ATOM 179 OD1 ASP A 15 -5.615 -1.185 -17.266 1.00 0.00 O ATOM 180 OD2 ASP A 15 -5.330 -3.033 -18.422 1.00 0.00 O ATOM 0 H ASP A 15 -5.429 -4.290 -13.708 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.571 -3.094 -15.658 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.738 -4.301 -16.333 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.609 -2.979 -15.583 1.00 0.00 H new ATOM 185 N SER A 16 -5.286 -1.558 -13.341 1.00 0.00 N ATOM 186 CA SER A 16 -5.455 -0.289 -12.643 1.00 0.00 C ATOM 187 C SER A 16 -4.310 -0.051 -11.664 1.00 0.00 C ATOM 188 O SER A 16 -4.397 0.807 -10.785 1.00 0.00 O ATOM 189 CB SER A 16 -6.791 -0.268 -11.897 1.00 0.00 C ATOM 190 OG SER A 16 -7.112 1.042 -11.463 1.00 0.00 O ATOM 0 H SER A 16 -5.729 -2.354 -12.882 1.00 0.00 H new ATOM 0 HA SER A 16 -5.448 0.510 -13.385 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.581 -0.642 -12.548 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.742 -0.937 -11.038 1.00 0.00 H new ATOM 0 HG SER A 16 -7.970 1.029 -10.990 1.00 0.00 H new ATOM 196 N PHE A 17 -3.236 -0.818 -11.822 1.00 0.00 N ATOM 197 CA PHE A 17 -2.072 -0.692 -10.952 1.00 0.00 C ATOM 198 C PHE A 17 -0.941 0.048 -11.660 1.00 0.00 C ATOM 199 O PHE A 17 -0.129 0.719 -11.022 1.00 0.00 O ATOM 200 CB PHE A 17 -1.591 -2.074 -10.505 1.00 0.00 C ATOM 201 CG PHE A 17 -0.166 -2.089 -10.032 1.00 0.00 C ATOM 202 CD1 PHE A 17 0.876 -1.884 -10.923 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.133 -2.307 -8.697 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.188 -1.898 -10.490 1.00 0.00 C ATOM 205 CE2 PHE A 17 1.444 -2.321 -8.258 1.00 0.00 C ATOM 206 CZ PHE A 17 2.473 -2.115 -9.156 1.00 0.00 C ATOM 0 H PHE A 17 -3.148 -1.533 -12.544 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.366 -0.116 -10.075 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.236 -2.432 -9.702 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.697 -2.773 -11.335 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.660 -1.711 -11.967 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.668 -2.468 -7.990 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.991 -1.739 -11.195 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.663 -2.493 -7.215 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.498 -2.124 -8.816 1.00 0.00 H new ATOM 216 N ASP A 18 -0.895 -0.079 -12.981 1.00 0.00 N ATOM 217 CA ASP A 18 0.135 0.577 -13.777 1.00 0.00 C ATOM 218 C ASP A 18 -0.314 1.971 -14.205 1.00 0.00 C ATOM 219 O ASP A 18 0.450 2.933 -14.123 1.00 0.00 O ATOM 220 CB ASP A 18 0.471 -0.264 -15.010 1.00 0.00 C ATOM 221 CG ASP A 18 0.483 -1.750 -14.711 1.00 0.00 C ATOM 222 OD1 ASP A 18 1.555 -2.272 -14.341 1.00 0.00 O ATOM 223 OD2 ASP A 18 -0.580 -2.392 -14.847 1.00 0.00 O ATOM 0 H ASP A 18 -1.560 -0.631 -13.524 1.00 0.00 H new ATOM 0 HA ASP A 18 1.028 0.675 -13.159 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.257 -0.060 -15.795 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.446 0.034 -15.395 1.00 0.00 H new ATOM 228 N LYS A 19 -1.557 2.072 -14.661 1.00 0.00 N ATOM 229 CA LYS A 19 -2.110 3.348 -15.102 1.00 0.00 C ATOM 230 C LYS A 19 -2.394 4.258 -13.911 1.00 0.00 C ATOM 231 O LYS A 19 -2.743 5.425 -14.080 1.00 0.00 O ATOM 232 CB LYS A 19 -3.394 3.122 -15.902 1.00 0.00 C ATOM 233 CG LYS A 19 -4.640 3.023 -15.038 1.00 0.00 C ATOM 234 CD LYS A 19 -5.901 2.956 -15.883 1.00 0.00 C ATOM 235 CE LYS A 19 -7.139 3.286 -15.064 1.00 0.00 C ATOM 236 NZ LYS A 19 -7.693 2.081 -14.387 1.00 0.00 N ATOM 0 H LYS A 19 -2.202 1.285 -14.735 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.372 3.834 -15.741 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.518 3.940 -16.612 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.293 2.207 -16.485 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.577 2.137 -14.407 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.692 3.885 -14.373 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.819 3.653 -16.717 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.001 1.958 -16.310 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.890 4.040 -14.317 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.899 3.720 -15.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.731 2.146 -14.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.414 1.228 -14.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.322 2.026 -13.417 1.00 0.00 H new ATOM 250 N ASN A 20 -2.240 3.716 -12.708 1.00 0.00 N ATOM 251 CA ASN A 20 -2.479 4.480 -11.489 1.00 0.00 C ATOM 252 C ASN A 20 -1.162 4.900 -10.843 1.00 0.00 C ATOM 253 O ASN A 20 -1.070 5.966 -10.233 1.00 0.00 O ATOM 254 CB ASN A 20 -3.305 3.655 -10.499 1.00 0.00 C ATOM 255 CG ASN A 20 -4.792 3.727 -10.786 1.00 0.00 C ATOM 256 OD1 ASN A 20 -5.533 4.438 -10.107 1.00 0.00 O ATOM 257 ND2 ASN A 20 -5.235 2.988 -11.797 1.00 0.00 N ATOM 0 H ASN A 20 -1.951 2.751 -12.551 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.035 5.379 -11.756 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.980 2.615 -10.537 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.115 4.011 -9.486 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.226 2.995 -12.038 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.584 2.414 -12.332 1.00 0.00 H new ATOM 264 N VAL A 21 -0.145 4.056 -10.982 1.00 0.00 N ATOM 265 CA VAL A 21 1.168 4.341 -10.415 1.00 0.00 C ATOM 266 C VAL A 21 2.119 4.885 -11.475 1.00 0.00 C ATOM 267 O VAL A 21 2.663 5.981 -11.333 1.00 0.00 O ATOM 268 CB VAL A 21 1.789 3.083 -9.780 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.237 3.340 -9.391 1.00 0.00 C ATOM 270 CG2 VAL A 21 0.976 2.637 -8.575 1.00 0.00 C ATOM 0 H VAL A 21 -0.205 3.169 -11.482 1.00 0.00 H new ATOM 0 HA VAL A 21 1.022 5.095 -9.642 1.00 0.00 H new ATOM 0 HB VAL A 21 1.773 2.280 -10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.659 2.440 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.810 3.607 -10.279 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.281 4.157 -8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.430 1.747 -8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.958 3.435 -7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.043 2.409 -8.888 1.00 0.00 H new ATOM 280 N LEU A 22 2.315 4.112 -12.538 1.00 0.00 N ATOM 281 CA LEU A 22 3.201 4.517 -13.624 1.00 0.00 C ATOM 282 C LEU A 22 2.728 5.822 -14.255 1.00 0.00 C ATOM 283 O LEU A 22 3.537 6.653 -14.668 1.00 0.00 O ATOM 284 CB LEU A 22 3.270 3.419 -14.687 1.00 0.00 C ATOM 285 CG LEU A 22 3.575 2.009 -14.177 1.00 0.00 C ATOM 286 CD1 LEU A 22 3.879 1.076 -15.339 1.00 0.00 C ATOM 287 CD2 LEU A 22 4.736 2.037 -13.195 1.00 0.00 C ATOM 0 H LEU A 22 1.873 3.202 -12.671 1.00 0.00 H new ATOM 0 HA LEU A 22 4.196 4.676 -13.208 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.318 3.394 -15.217 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.033 3.693 -15.415 1.00 0.00 H new ATOM 0 HG LEU A 22 2.694 1.633 -13.656 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.094 0.078 -14.958 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.018 1.032 -16.006 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.744 1.448 -15.888 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.939 1.026 -12.843 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.622 2.433 -13.691 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.480 2.672 -12.347 1.00 0.00 H new ATOM 299 N ASP A 23 1.413 5.996 -14.326 1.00 0.00 N ATOM 300 CA ASP A 23 0.831 7.202 -14.904 1.00 0.00 C ATOM 301 C ASP A 23 0.990 8.389 -13.958 1.00 0.00 C ATOM 302 O ASP A 23 0.553 9.499 -14.261 1.00 0.00 O ATOM 303 CB ASP A 23 -0.649 6.980 -15.219 1.00 0.00 C ATOM 304 CG ASP A 23 -1.212 8.046 -16.138 1.00 0.00 C ATOM 305 OD1 ASP A 23 -0.749 8.137 -17.295 1.00 0.00 O ATOM 306 OD2 ASP A 23 -2.115 8.789 -15.701 1.00 0.00 O ATOM 0 H ASP A 23 0.730 5.317 -13.990 1.00 0.00 H new ATOM 0 HA ASP A 23 1.362 7.424 -15.830 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.776 6.001 -15.682 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.218 6.969 -14.289 1.00 0.00 H new ATOM 311 N SER A 24 1.617 8.146 -12.812 1.00 0.00 N ATOM 312 CA SER A 24 1.830 9.193 -11.819 1.00 0.00 C ATOM 313 C SER A 24 3.307 9.306 -11.456 1.00 0.00 C ATOM 314 O SER A 24 4.013 8.302 -11.365 1.00 0.00 O ATOM 315 CB SER A 24 1.004 8.909 -10.563 1.00 0.00 C ATOM 316 OG SER A 24 0.766 10.099 -9.830 1.00 0.00 O ATOM 0 H SER A 24 1.987 7.233 -12.548 1.00 0.00 H new ATOM 0 HA SER A 24 1.507 10.140 -12.251 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.054 8.455 -10.844 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.528 8.189 -9.934 1.00 0.00 H new ATOM 0 HG SER A 24 1.608 10.418 -9.442 1.00 0.00 H new ATOM 322 N GLU A 25 3.767 10.536 -11.251 1.00 0.00 N ATOM 323 CA GLU A 25 5.161 10.781 -10.899 1.00 0.00 C ATOM 324 C GLU A 25 5.332 10.869 -9.385 1.00 0.00 C ATOM 325 O GLU A 25 6.209 11.576 -8.889 1.00 0.00 O ATOM 326 CB GLU A 25 5.657 12.071 -11.555 1.00 0.00 C ATOM 327 CG GLU A 25 4.904 13.312 -11.105 1.00 0.00 C ATOM 328 CD GLU A 25 5.519 14.592 -11.635 1.00 0.00 C ATOM 329 OE1 GLU A 25 5.372 14.863 -12.846 1.00 0.00 O ATOM 330 OE2 GLU A 25 6.147 15.322 -10.841 1.00 0.00 O ATOM 0 H GLU A 25 3.195 11.378 -11.322 1.00 0.00 H new ATOM 0 HA GLU A 25 5.754 9.944 -11.267 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.716 12.198 -11.331 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.569 11.975 -12.637 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.869 13.245 -11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.886 13.346 -10.016 1.00 0.00 H new ATOM 337 N ASP A 26 4.487 10.147 -8.657 1.00 0.00 N ATOM 338 CA ASP A 26 4.544 10.143 -7.200 1.00 0.00 C ATOM 339 C ASP A 26 4.864 8.748 -6.673 1.00 0.00 C ATOM 340 O ASP A 26 4.644 7.748 -7.357 1.00 0.00 O ATOM 341 CB ASP A 26 3.218 10.631 -6.615 1.00 0.00 C ATOM 342 CG ASP A 26 2.874 12.040 -7.056 1.00 0.00 C ATOM 343 OD1 ASP A 26 2.389 12.203 -8.195 1.00 0.00 O ATOM 344 OD2 ASP A 26 3.090 12.980 -6.263 1.00 0.00 O ATOM 0 H ASP A 26 3.755 9.557 -9.052 1.00 0.00 H new ATOM 0 HA ASP A 26 5.340 10.820 -6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.420 9.954 -6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.270 10.597 -5.527 1.00 0.00 H new ATOM 349 N VAL A 27 5.386 8.687 -5.451 1.00 0.00 N ATOM 350 CA VAL A 27 5.736 7.414 -4.832 1.00 0.00 C ATOM 351 C VAL A 27 4.488 6.633 -4.439 1.00 0.00 C ATOM 352 O VAL A 27 3.646 7.126 -3.688 1.00 0.00 O ATOM 353 CB VAL A 27 6.615 7.621 -3.584 1.00 0.00 C ATOM 354 CG1 VAL A 27 7.007 6.281 -2.980 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.848 8.441 -3.930 1.00 0.00 C ATOM 0 H VAL A 27 5.576 9.504 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 27 6.298 6.845 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 27 6.038 8.173 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.628 6.446 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.109 5.734 -2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.566 5.701 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.457 8.577 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.430 7.920 -4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.542 9.415 -4.312 1.00 0.00 H new ATOM 365 N TRP A 28 4.376 5.412 -4.949 1.00 0.00 N ATOM 366 CA TRP A 28 3.230 4.561 -4.650 1.00 0.00 C ATOM 367 C TRP A 28 3.656 3.336 -3.848 1.00 0.00 C ATOM 368 O TRP A 28 4.343 2.454 -4.363 1.00 0.00 O ATOM 369 CB TRP A 28 2.542 4.124 -5.944 1.00 0.00 C ATOM 370 CG TRP A 28 1.590 5.148 -6.486 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.893 6.191 -7.313 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.183 5.226 -6.236 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.758 6.914 -7.593 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.304 6.342 -6.944 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.714 4.462 -5.484 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.647 6.710 -6.921 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.046 4.829 -5.461 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.502 5.944 -6.177 1.00 0.00 C ATOM 0 H TRP A 28 5.065 4.989 -5.571 1.00 0.00 H new ATOM 0 HA TRP A 28 2.527 5.139 -4.050 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.301 3.910 -6.696 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.001 3.195 -5.764 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.879 6.415 -7.692 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.714 7.742 -8.187 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.372 3.600 -4.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.001 7.570 -7.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.747 4.247 -4.882 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.550 6.204 -6.141 1.00 0.00 H new ATOM 389 N MET A 29 3.244 3.288 -2.586 1.00 0.00 N ATOM 390 CA MET A 29 3.582 2.169 -1.714 1.00 0.00 C ATOM 391 C MET A 29 2.551 1.052 -1.837 1.00 0.00 C ATOM 392 O MET A 29 1.481 1.112 -1.230 1.00 0.00 O ATOM 393 CB MET A 29 3.673 2.637 -0.260 1.00 0.00 C ATOM 394 CG MET A 29 5.049 3.156 0.126 1.00 0.00 C ATOM 395 SD MET A 29 5.147 3.639 1.860 1.00 0.00 S ATOM 396 CE MET A 29 6.371 2.480 2.466 1.00 0.00 C ATOM 0 H MET A 29 2.676 4.011 -2.144 1.00 0.00 H new ATOM 0 HA MET A 29 4.552 1.780 -2.024 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.937 3.424 -0.093 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.409 1.809 0.397 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.793 2.386 -0.075 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.299 4.012 -0.500 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.763 2.831 3.421 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.910 1.501 2.600 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.186 2.402 1.746 1.00 0.00 H new ATOM 406 N VAL A 30 2.878 0.034 -2.626 1.00 0.00 N ATOM 407 CA VAL A 30 1.980 -1.097 -2.828 1.00 0.00 C ATOM 408 C VAL A 30 2.230 -2.188 -1.794 1.00 0.00 C ATOM 409 O VAL A 30 3.328 -2.736 -1.708 1.00 0.00 O ATOM 410 CB VAL A 30 2.140 -1.695 -4.238 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.287 -2.946 -4.388 1.00 0.00 C ATOM 412 CG2 VAL A 30 1.780 -0.665 -5.298 1.00 0.00 C ATOM 0 H VAL A 30 3.759 -0.031 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 30 0.964 -0.719 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 30 3.184 -1.977 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.413 -3.354 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.597 -3.688 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.239 -2.693 -4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.899 -1.105 -6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.745 -0.350 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.438 0.199 -5.204 1.00 0.00 H new ATOM 422 N GLU A 31 1.202 -2.499 -1.009 1.00 0.00 N ATOM 423 CA GLU A 31 1.311 -3.525 0.021 1.00 0.00 C ATOM 424 C GLU A 31 0.396 -4.706 -0.290 1.00 0.00 C ATOM 425 O GLU A 31 -0.824 -4.615 -0.149 1.00 0.00 O ATOM 426 CB GLU A 31 0.962 -2.942 1.392 1.00 0.00 C ATOM 427 CG GLU A 31 0.414 -3.969 2.368 1.00 0.00 C ATOM 428 CD GLU A 31 -1.099 -4.068 2.323 1.00 0.00 C ATOM 429 OE1 GLU A 31 -1.726 -3.257 1.609 1.00 0.00 O ATOM 430 OE2 GLU A 31 -1.656 -4.956 3.002 1.00 0.00 O ATOM 0 H GLU A 31 0.285 -2.055 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 31 2.341 -3.880 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.854 -2.485 1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.227 -2.147 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.845 -4.945 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.727 -3.708 3.379 1.00 0.00 H new ATOM 437 N PHE A 32 0.994 -5.815 -0.714 1.00 0.00 N ATOM 438 CA PHE A 32 0.234 -7.014 -1.046 1.00 0.00 C ATOM 439 C PHE A 32 -0.193 -7.755 0.217 1.00 0.00 C ATOM 440 O PHE A 32 0.597 -7.929 1.145 1.00 0.00 O ATOM 441 CB PHE A 32 1.065 -7.940 -1.937 1.00 0.00 C ATOM 442 CG PHE A 32 1.687 -7.241 -3.112 1.00 0.00 C ATOM 443 CD1 PHE A 32 2.874 -6.540 -2.970 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.086 -7.286 -4.360 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.448 -5.896 -4.049 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.655 -6.644 -5.443 1.00 0.00 C ATOM 447 CZ PHE A 32 2.839 -5.949 -5.288 1.00 0.00 C ATOM 0 H PHE A 32 2.002 -5.908 -0.836 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.661 -6.707 -1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.852 -8.397 -1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.430 -8.748 -2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.356 -6.497 -2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.162 -7.830 -4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.372 -5.351 -3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.175 -6.685 -6.410 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.287 -5.448 -6.133 1.00 0.00 H new ATOM 457 N TYR A 33 -1.449 -8.188 0.246 1.00 0.00 N ATOM 458 CA TYR A 33 -1.983 -8.907 1.396 1.00 0.00 C ATOM 459 C TYR A 33 -2.960 -9.992 0.954 1.00 0.00 C ATOM 460 O TYR A 33 -3.436 -9.990 -0.181 1.00 0.00 O ATOM 461 CB TYR A 33 -2.680 -7.937 2.352 1.00 0.00 C ATOM 462 CG TYR A 33 -4.084 -7.571 1.926 1.00 0.00 C ATOM 463 CD1 TYR A 33 -5.136 -8.462 2.094 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.358 -6.334 1.356 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.420 -8.133 1.706 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.639 -5.995 0.966 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.667 -6.898 1.143 1.00 0.00 C ATOM 468 OH TYR A 33 -7.944 -6.565 0.755 1.00 0.00 O ATOM 0 H TYR A 33 -2.116 -8.053 -0.514 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.150 -9.382 1.914 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.715 -8.382 3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.085 -7.027 2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.947 -9.429 2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.555 -5.625 1.215 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.226 -8.839 1.843 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.835 -5.029 0.525 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.193 -7.089 -0.035 1.00 0.00 H new ATOM 478 N ALA A 34 -3.255 -10.918 1.861 1.00 0.00 N ATOM 479 CA ALA A 34 -4.177 -12.009 1.567 1.00 0.00 C ATOM 480 C ALA A 34 -5.347 -12.016 2.544 1.00 0.00 C ATOM 481 O ALA A 34 -5.184 -11.814 3.747 1.00 0.00 O ATOM 482 CB ALA A 34 -3.446 -13.343 1.606 1.00 0.00 C ATOM 0 H ALA A 34 -2.869 -10.935 2.805 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.576 -11.855 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.146 -14.148 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.648 -13.342 0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.019 -13.495 2.597 1.00 0.00 H new ATOM 488 N PRO A 35 -6.558 -12.254 2.017 1.00 0.00 N ATOM 489 CA PRO A 35 -7.779 -12.293 2.826 1.00 0.00 C ATOM 490 C PRO A 35 -7.830 -13.512 3.740 1.00 0.00 C ATOM 491 O PRO A 35 -8.713 -13.625 4.591 1.00 0.00 O ATOM 492 CB PRO A 35 -8.895 -12.362 1.780 1.00 0.00 C ATOM 493 CG PRO A 35 -8.254 -12.974 0.582 1.00 0.00 C ATOM 494 CD PRO A 35 -6.826 -12.503 0.591 1.00 0.00 C ATOM 0 HA PRO A 35 -7.854 -11.434 3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.732 -12.965 2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.289 -11.371 1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.306 -14.062 0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.761 -12.666 -0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.152 -13.255 0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.697 -11.600 -0.006 1.00 0.00 H new ATOM 502 N TRP A 36 -6.879 -14.421 3.560 1.00 0.00 N ATOM 503 CA TRP A 36 -6.816 -15.632 4.370 1.00 0.00 C ATOM 504 C TRP A 36 -5.493 -15.715 5.123 1.00 0.00 C ATOM 505 O TRP A 36 -5.084 -16.791 5.560 1.00 0.00 O ATOM 506 CB TRP A 36 -6.994 -16.870 3.489 1.00 0.00 C ATOM 507 CG TRP A 36 -6.375 -16.727 2.131 1.00 0.00 C ATOM 508 CD1 TRP A 36 -7.031 -16.629 0.938 1.00 0.00 C ATOM 509 CD2 TRP A 36 -4.977 -16.668 1.829 1.00 0.00 C ATOM 510 NE1 TRP A 36 -6.125 -16.512 -0.089 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.858 -16.533 0.432 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.814 -16.714 2.602 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.623 -16.445 -0.205 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.589 -16.627 1.969 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.501 -16.492 0.577 1.00 0.00 C ATOM 0 H TRP A 36 -6.141 -14.343 2.860 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.626 -15.594 5.099 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.554 -17.731 3.992 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.058 -17.076 3.375 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.104 -16.642 0.819 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.358 -16.424 -1.078 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.872 -16.816 3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.553 -16.343 -1.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.684 -16.664 2.557 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.529 -16.424 0.112 1.00 0.00 H new ATOM 526 N CYS A 37 -4.829 -14.574 5.271 1.00 0.00 N ATOM 527 CA CYS A 37 -3.551 -14.519 5.971 1.00 0.00 C ATOM 528 C CYS A 37 -3.657 -13.663 7.229 1.00 0.00 C ATOM 529 O CYS A 37 -4.004 -12.484 7.163 1.00 0.00 O ATOM 530 CB CYS A 37 -2.465 -13.961 5.050 1.00 0.00 C ATOM 531 SG CYS A 37 -0.782 -14.197 5.667 1.00 0.00 S ATOM 0 H CYS A 37 -5.154 -13.675 4.916 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.282 -15.533 6.265 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.552 -14.436 4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.641 -12.895 4.903 1.00 0.00 H new ATOM 0 HG CYS A 37 0.066 -13.695 4.819 1.00 0.00 H new ATOM 537 N GLY A 38 -3.356 -14.265 8.376 1.00 0.00 N ATOM 538 CA GLY A 38 -3.425 -13.543 9.633 1.00 0.00 C ATOM 539 C GLY A 38 -2.355 -12.476 9.749 1.00 0.00 C ATOM 540 O GLY A 38 -2.627 -11.357 10.185 1.00 0.00 O ATOM 0 H GLY A 38 -3.066 -15.239 8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.407 -13.080 9.729 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.323 -14.247 10.459 1.00 0.00 H new ATOM 544 N HIS A 39 -1.132 -12.823 9.360 1.00 0.00 N ATOM 545 CA HIS A 39 -0.015 -11.887 9.424 1.00 0.00 C ATOM 546 C HIS A 39 -0.370 -10.570 8.740 1.00 0.00 C ATOM 547 O HIS A 39 0.269 -9.544 8.976 1.00 0.00 O ATOM 548 CB HIS A 39 1.226 -12.495 8.771 1.00 0.00 C ATOM 549 CG HIS A 39 2.017 -13.374 9.690 1.00 0.00 C ATOM 550 ND1 HIS A 39 3.085 -12.918 10.434 1.00 0.00 N ATOM 551 CD2 HIS A 39 1.889 -14.689 9.986 1.00 0.00 C ATOM 552 CE1 HIS A 39 3.581 -13.914 11.146 1.00 0.00 C ATOM 553 NE2 HIS A 39 2.873 -15.000 10.892 1.00 0.00 N ATOM 0 H HIS A 39 -0.889 -13.745 8.997 1.00 0.00 H new ATOM 0 HA HIS A 39 0.198 -11.686 10.474 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.921 -13.075 7.900 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.867 -11.691 8.410 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.151 -15.367 9.584 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.422 -13.851 11.821 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.032 -15.920 11.302 1.00 0.00 H new ATOM 562 N CYS A 40 -1.392 -10.607 7.891 1.00 0.00 N ATOM 563 CA CYS A 40 -1.831 -9.416 7.172 1.00 0.00 C ATOM 564 C CYS A 40 -2.993 -8.742 7.893 1.00 0.00 C ATOM 565 O CYS A 40 -2.997 -7.527 8.088 1.00 0.00 O ATOM 566 CB CYS A 40 -2.243 -9.781 5.745 1.00 0.00 C ATOM 567 SG CYS A 40 -0.858 -10.189 4.657 1.00 0.00 S ATOM 0 H CYS A 40 -1.931 -11.448 7.684 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.996 -8.716 7.135 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.925 -10.631 5.781 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.796 -8.947 5.314 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.182 -11.196 3.901 1.00 0.00 H new ATOM 573 N LYS A 41 -3.980 -9.540 8.288 1.00 0.00 N ATOM 574 CA LYS A 41 -5.149 -9.022 8.988 1.00 0.00 C ATOM 575 C LYS A 41 -4.735 -8.101 10.132 1.00 0.00 C ATOM 576 O LYS A 41 -5.430 -7.136 10.446 1.00 0.00 O ATOM 577 CB LYS A 41 -5.997 -10.175 9.530 1.00 0.00 C ATOM 578 CG LYS A 41 -5.640 -10.578 10.950 1.00 0.00 C ATOM 579 CD LYS A 41 -6.616 -11.605 11.500 1.00 0.00 C ATOM 580 CE LYS A 41 -7.881 -10.946 12.026 1.00 0.00 C ATOM 581 NZ LYS A 41 -8.633 -11.845 12.946 1.00 0.00 N ATOM 0 H LYS A 41 -3.993 -10.548 8.135 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.741 -8.446 8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.048 -9.889 9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.881 -11.039 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.630 -10.987 10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.639 -9.696 11.590 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.875 -12.318 10.717 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.139 -12.170 12.301 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.621 -10.026 12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.520 -10.666 11.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.489 -11.360 13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.904 -12.712 12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.032 -12.092 13.758 1.00 0.00 H new ATOM 595 N ASN A 42 -3.599 -8.406 10.749 1.00 0.00 N ATOM 596 CA ASN A 42 -3.092 -7.605 11.857 1.00 0.00 C ATOM 597 C ASN A 42 -2.463 -6.311 11.350 1.00 0.00 C ATOM 598 O ASN A 42 -2.436 -5.302 12.057 1.00 0.00 O ATOM 599 CB ASN A 42 -2.064 -8.403 12.663 1.00 0.00 C ATOM 600 CG ASN A 42 -2.714 -9.390 13.613 1.00 0.00 C ATOM 601 OD1 ASN A 42 -3.892 -9.263 13.948 1.00 0.00 O ATOM 602 ND2 ASN A 42 -1.947 -10.381 14.051 1.00 0.00 N ATOM 0 H ASN A 42 -3.012 -9.202 10.501 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.933 -7.351 12.503 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.407 -8.940 11.979 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.438 -7.715 13.231 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.329 -11.077 14.692 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.976 -10.447 13.747 1.00 0.00 H new ATOM 609 N LEU A 43 -1.960 -6.346 10.121 1.00 0.00 N ATOM 610 CA LEU A 43 -1.332 -5.176 9.517 1.00 0.00 C ATOM 611 C LEU A 43 -2.376 -4.268 8.875 1.00 0.00 C ATOM 612 O LEU A 43 -2.125 -3.086 8.642 1.00 0.00 O ATOM 613 CB LEU A 43 -0.302 -5.608 8.472 1.00 0.00 C ATOM 614 CG LEU A 43 0.065 -4.561 7.419 1.00 0.00 C ATOM 615 CD1 LEU A 43 0.901 -3.452 8.038 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.808 -5.209 6.260 1.00 0.00 C ATOM 0 H LEU A 43 -1.975 -7.172 9.523 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.828 -4.617 10.305 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.609 -5.907 8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.682 -6.492 7.960 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.855 -4.122 7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.153 -2.716 7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.333 -2.969 8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.817 -3.874 8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.061 -4.450 5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.722 -5.675 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.174 -5.967 5.800 1.00 0.00 H new ATOM 628 N GLU A 44 -3.548 -4.829 8.593 1.00 0.00 N ATOM 629 CA GLU A 44 -4.630 -4.069 7.979 1.00 0.00 C ATOM 630 C GLU A 44 -4.692 -2.654 8.548 1.00 0.00 C ATOM 631 O GLU A 44 -4.584 -1.663 7.826 1.00 0.00 O ATOM 632 CB GLU A 44 -5.969 -4.777 8.198 1.00 0.00 C ATOM 633 CG GLU A 44 -7.149 -3.827 8.308 1.00 0.00 C ATOM 634 CD GLU A 44 -8.482 -4.530 8.140 1.00 0.00 C ATOM 635 OE1 GLU A 44 -8.936 -5.179 9.106 1.00 0.00 O ATOM 636 OE2 GLU A 44 -9.070 -4.433 7.043 1.00 0.00 O ATOM 0 H GLU A 44 -3.772 -5.806 8.780 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.432 -4.004 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.145 -5.467 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.909 -5.376 9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.123 -3.333 9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.055 -3.048 7.551 1.00 0.00 H new ATOM 643 N PRO A 45 -4.870 -2.557 9.874 1.00 0.00 N ATOM 644 CA PRO A 45 -4.950 -1.269 10.569 1.00 0.00 C ATOM 645 C PRO A 45 -3.611 -0.541 10.597 1.00 0.00 C ATOM 646 O PRO A 45 -3.562 0.689 10.574 1.00 0.00 O ATOM 647 CB PRO A 45 -5.376 -1.658 11.987 1.00 0.00 C ATOM 648 CG PRO A 45 -4.902 -3.060 12.154 1.00 0.00 C ATOM 649 CD PRO A 45 -5.005 -3.697 10.796 1.00 0.00 C ATOM 0 HA PRO A 45 -5.637 -0.582 10.075 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.928 -0.998 12.730 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.457 -1.588 12.109 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.875 -3.084 12.519 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.512 -3.594 12.883 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.220 -4.437 10.638 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.958 -4.210 10.664 1.00 0.00 H new ATOM 657 N GLU A 46 -2.526 -1.308 10.645 1.00 0.00 N ATOM 658 CA GLU A 46 -1.186 -0.733 10.676 1.00 0.00 C ATOM 659 C GLU A 46 -0.865 -0.029 9.361 1.00 0.00 C ATOM 660 O GLU A 46 -0.076 0.915 9.327 1.00 0.00 O ATOM 661 CB GLU A 46 -0.146 -1.822 10.951 1.00 0.00 C ATOM 662 CG GLU A 46 -0.109 -2.276 12.401 1.00 0.00 C ATOM 663 CD GLU A 46 0.980 -3.298 12.664 1.00 0.00 C ATOM 664 OE1 GLU A 46 1.143 -4.217 11.835 1.00 0.00 O ATOM 665 OE2 GLU A 46 1.668 -3.179 13.699 1.00 0.00 O ATOM 0 H GLU A 46 -2.549 -2.328 10.663 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.153 0.003 11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.356 -2.682 10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.840 -1.451 10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.047 -1.411 13.045 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.075 -2.703 12.669 1.00 0.00 H new ATOM 672 N TRP A 47 -1.483 -0.495 8.282 1.00 0.00 N ATOM 673 CA TRP A 47 -1.263 0.089 6.963 1.00 0.00 C ATOM 674 C TRP A 47 -2.210 1.259 6.722 1.00 0.00 C ATOM 675 O TRP A 47 -1.823 2.273 6.142 1.00 0.00 O ATOM 676 CB TRP A 47 -1.453 -0.970 5.876 1.00 0.00 C ATOM 677 CG TRP A 47 -0.989 -0.521 4.523 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.773 -0.125 3.477 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.366 -0.426 4.070 1.00 0.00 C ATOM 680 NE1 TRP A 47 -0.987 0.212 2.402 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.329 0.037 2.740 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.607 -0.684 4.659 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.485 0.244 1.992 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.753 -0.477 3.915 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.686 -0.017 2.593 1.00 0.00 C ATOM 0 H TRP A 47 -2.140 -1.275 8.294 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.239 0.460 6.923 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.909 -1.872 6.158 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.508 -1.238 5.820 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.852 -0.083 3.493 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.328 0.540 1.498 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.669 -1.039 5.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.435 0.598 0.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.717 -0.673 4.360 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.600 0.134 2.038 1.00 0.00 H new ATOM 696 N ALA A 48 -3.453 1.111 7.170 1.00 0.00 N ATOM 697 CA ALA A 48 -4.454 2.158 7.004 1.00 0.00 C ATOM 698 C ALA A 48 -3.976 3.475 7.604 1.00 0.00 C ATOM 699 O ALA A 48 -3.843 4.477 6.901 1.00 0.00 O ATOM 700 CB ALA A 48 -5.770 1.734 7.639 1.00 0.00 C ATOM 0 H ALA A 48 -3.790 0.277 7.650 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.610 2.311 5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.509 2.525 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.127 0.821 7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.619 1.552 8.703 1.00 0.00 H new ATOM 706 N ALA A 49 -3.719 3.468 8.908 1.00 0.00 N ATOM 707 CA ALA A 49 -3.254 4.663 9.602 1.00 0.00 C ATOM 708 C ALA A 49 -2.042 5.268 8.901 1.00 0.00 C ATOM 709 O ALA A 49 -2.037 6.450 8.560 1.00 0.00 O ATOM 710 CB ALA A 49 -2.919 4.335 11.050 1.00 0.00 C ATOM 0 H ALA A 49 -3.825 2.648 9.505 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.057 5.400 9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.573 5.236 11.557 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.809 3.955 11.552 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.135 3.578 11.080 1.00 0.00 H new ATOM 716 N ALA A 50 -1.017 4.449 8.689 1.00 0.00 N ATOM 717 CA ALA A 50 0.200 4.904 8.028 1.00 0.00 C ATOM 718 C ALA A 50 -0.125 5.747 6.799 1.00 0.00 C ATOM 719 O ALA A 50 0.364 6.866 6.654 1.00 0.00 O ATOM 720 CB ALA A 50 1.066 3.715 7.640 1.00 0.00 C ATOM 0 H ALA A 50 -1.005 3.467 8.965 1.00 0.00 H new ATOM 0 HA ALA A 50 0.753 5.529 8.729 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.971 4.070 7.147 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.336 3.154 8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.512 3.068 6.959 1.00 0.00 H new ATOM 726 N ALA A 51 -0.954 5.200 5.915 1.00 0.00 N ATOM 727 CA ALA A 51 -1.346 5.902 4.699 1.00 0.00 C ATOM 728 C ALA A 51 -1.767 7.336 5.004 1.00 0.00 C ATOM 729 O ALA A 51 -1.554 8.240 4.197 1.00 0.00 O ATOM 730 CB ALA A 51 -2.472 5.157 3.999 1.00 0.00 C ATOM 0 H ALA A 51 -1.367 4.273 6.019 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.482 5.938 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.754 5.693 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.137 4.153 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.333 5.090 4.664 1.00 0.00 H new ATOM 736 N SER A 52 -2.367 7.535 6.174 1.00 0.00 N ATOM 737 CA SER A 52 -2.823 8.858 6.583 1.00 0.00 C ATOM 738 C SER A 52 -1.664 9.687 7.129 1.00 0.00 C ATOM 739 O SER A 52 -1.500 10.854 6.774 1.00 0.00 O ATOM 740 CB SER A 52 -3.921 8.738 7.641 1.00 0.00 C ATOM 741 OG SER A 52 -4.778 9.866 7.617 1.00 0.00 O ATOM 0 H SER A 52 -2.548 6.797 6.854 1.00 0.00 H new ATOM 0 HA SER A 52 -3.227 9.363 5.706 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.502 7.832 7.466 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.470 8.641 8.628 1.00 0.00 H new ATOM 0 HG SER A 52 -5.472 9.735 6.938 1.00 0.00 H new ATOM 747 N GLU A 53 -0.863 9.074 7.995 1.00 0.00 N ATOM 748 CA GLU A 53 0.280 9.755 8.592 1.00 0.00 C ATOM 749 C GLU A 53 1.340 10.063 7.538 1.00 0.00 C ATOM 750 O GLU A 53 2.170 10.955 7.717 1.00 0.00 O ATOM 751 CB GLU A 53 0.887 8.901 9.707 1.00 0.00 C ATOM 752 CG GLU A 53 2.189 9.456 10.259 1.00 0.00 C ATOM 753 CD GLU A 53 1.976 10.667 11.147 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.750 10.479 12.361 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.035 11.801 10.629 1.00 0.00 O ATOM 0 H GLU A 53 -0.984 8.108 8.299 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.071 10.696 9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.166 8.814 10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.063 7.895 9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.699 8.678 10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.844 9.728 9.431 1.00 0.00 H new ATOM 762 N VAL A 54 1.307 9.317 6.438 1.00 0.00 N ATOM 763 CA VAL A 54 2.264 9.509 5.355 1.00 0.00 C ATOM 764 C VAL A 54 1.788 10.586 4.386 1.00 0.00 C ATOM 765 O VAL A 54 2.566 11.437 3.955 1.00 0.00 O ATOM 766 CB VAL A 54 2.501 8.202 4.576 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.287 8.473 3.303 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.219 7.184 5.450 1.00 0.00 C ATOM 0 H VAL A 54 0.628 8.574 6.274 1.00 0.00 H new ATOM 0 HA VAL A 54 3.201 9.824 5.813 1.00 0.00 H new ATOM 0 HB VAL A 54 1.533 7.787 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.444 7.537 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.729 9.164 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.252 8.912 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.378 6.266 4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.181 7.588 5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.612 6.967 6.329 1.00 0.00 H new ATOM 778 N LYS A 55 0.504 10.543 4.047 1.00 0.00 N ATOM 779 CA LYS A 55 -0.078 11.515 3.130 1.00 0.00 C ATOM 780 C LYS A 55 -0.139 12.898 3.769 1.00 0.00 C ATOM 781 O LYS A 55 -0.209 13.911 3.074 1.00 0.00 O ATOM 782 CB LYS A 55 -1.483 11.074 2.710 1.00 0.00 C ATOM 783 CG LYS A 55 -2.578 11.570 3.637 1.00 0.00 C ATOM 784 CD LYS A 55 -3.959 11.261 3.084 1.00 0.00 C ATOM 785 CE LYS A 55 -5.051 11.937 3.900 1.00 0.00 C ATOM 786 NZ LYS A 55 -6.319 12.066 3.131 1.00 0.00 N ATOM 0 H LYS A 55 -0.154 9.845 4.394 1.00 0.00 H new ATOM 0 HA LYS A 55 0.559 11.570 2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.682 11.435 1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.517 9.985 2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.465 11.105 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.475 12.646 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.020 11.593 2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.119 10.183 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.234 11.363 4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.713 12.925 4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.927 12.780 3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.105 12.358 2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.812 11.150 3.118 1.00 0.00 H new ATOM 800 N GLU A 56 -0.109 12.933 5.098 1.00 0.00 N ATOM 801 CA GLU A 56 -0.160 14.193 5.830 1.00 0.00 C ATOM 802 C GLU A 56 1.225 14.828 5.916 1.00 0.00 C ATOM 803 O GLU A 56 1.372 16.041 5.770 1.00 0.00 O ATOM 804 CB GLU A 56 -0.717 13.969 7.237 1.00 0.00 C ATOM 805 CG GLU A 56 0.345 13.618 8.265 1.00 0.00 C ATOM 806 CD GLU A 56 -0.240 13.328 9.634 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.163 12.491 9.718 1.00 0.00 O ATOM 808 OE2 GLU A 56 0.226 13.937 10.619 1.00 0.00 O ATOM 0 H GLU A 56 -0.050 12.104 5.689 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.820 14.871 5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.239 14.870 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.456 13.168 7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.904 12.748 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.054 14.442 8.344 1.00 0.00 H new ATOM 815 N GLN A 57 2.237 13.999 6.153 1.00 0.00 N ATOM 816 CA GLN A 57 3.609 14.481 6.260 1.00 0.00 C ATOM 817 C GLN A 57 4.203 14.740 4.879 1.00 0.00 C ATOM 818 O GLN A 57 4.863 15.756 4.656 1.00 0.00 O ATOM 819 CB GLN A 57 4.470 13.467 7.016 1.00 0.00 C ATOM 820 CG GLN A 57 4.108 13.340 8.487 1.00 0.00 C ATOM 821 CD GLN A 57 5.121 12.527 9.269 1.00 0.00 C ATOM 822 OE1 GLN A 57 5.938 13.077 10.008 1.00 0.00 O ATOM 823 NE2 GLN A 57 5.072 11.210 9.110 1.00 0.00 N ATOM 0 H GLN A 57 2.133 12.992 6.274 1.00 0.00 H new ATOM 0 HA GLN A 57 3.596 15.420 6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.370 12.491 6.540 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.517 13.757 6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.030 14.335 8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.127 12.874 8.577 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.378 10.797 8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.728 10.611 9.611 1.00 0.00 H new ATOM 832 N THR A 58 3.966 13.814 3.955 1.00 0.00 N ATOM 833 CA THR A 58 4.479 13.942 2.596 1.00 0.00 C ATOM 834 C THR A 58 3.578 14.833 1.750 1.00 0.00 C ATOM 835 O THR A 58 3.739 14.919 0.532 1.00 0.00 O ATOM 836 CB THR A 58 4.611 12.567 1.914 1.00 0.00 C ATOM 837 OG1 THR A 58 3.326 12.116 1.470 1.00 0.00 O ATOM 838 CG2 THR A 58 5.211 11.545 2.868 1.00 0.00 C ATOM 0 H THR A 58 3.422 12.967 4.123 1.00 0.00 H new ATOM 0 HA THR A 58 5.466 14.397 2.672 1.00 0.00 H new ATOM 0 HB THR A 58 5.275 12.673 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.853 11.690 2.215 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.294 10.582 2.364 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.201 11.877 3.182 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.568 11.442 3.742 1.00 0.00 H new ATOM 846 N LYS A 59 2.627 15.495 2.401 1.00 0.00 N ATOM 847 CA LYS A 59 1.700 16.381 1.709 1.00 0.00 C ATOM 848 C LYS A 59 0.961 15.638 0.601 1.00 0.00 C ATOM 849 O LYS A 59 0.519 16.240 -0.377 1.00 0.00 O ATOM 850 CB LYS A 59 2.450 17.579 1.121 1.00 0.00 C ATOM 851 CG LYS A 59 3.016 18.517 2.173 1.00 0.00 C ATOM 852 CD LYS A 59 1.929 19.373 2.801 1.00 0.00 C ATOM 853 CE LYS A 59 1.687 20.644 2.001 1.00 0.00 C ATOM 854 NZ LYS A 59 0.292 21.139 2.155 1.00 0.00 N ATOM 0 H LYS A 59 2.479 15.434 3.408 1.00 0.00 H new ATOM 0 HA LYS A 59 0.968 16.738 2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.264 17.215 0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.774 18.138 0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.516 17.936 2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.770 19.160 1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.004 18.800 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.213 19.633 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.384 21.416 2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.891 20.454 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.168 22.006 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.373 20.412 1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.105 21.345 3.157 1.00 0.00 H new ATOM 868 N GLY A 60 0.828 14.325 0.761 1.00 0.00 N ATOM 869 CA GLY A 60 0.141 13.521 -0.233 1.00 0.00 C ATOM 870 C GLY A 60 1.083 12.965 -1.282 1.00 0.00 C ATOM 871 O GLY A 60 0.686 12.151 -2.115 1.00 0.00 O ATOM 0 H GLY A 60 1.184 13.803 1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.373 12.697 0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.623 14.126 -0.720 1.00 0.00 H new ATOM 875 N LYS A 61 2.336 13.407 -1.243 1.00 0.00 N ATOM 876 CA LYS A 61 3.339 12.949 -2.197 1.00 0.00 C ATOM 877 C LYS A 61 3.395 11.425 -2.239 1.00 0.00 C ATOM 878 O LYS A 61 3.056 10.808 -3.249 1.00 0.00 O ATOM 879 CB LYS A 61 4.714 13.511 -1.832 1.00 0.00 C ATOM 880 CG LYS A 61 5.859 12.852 -2.581 1.00 0.00 C ATOM 881 CD LYS A 61 5.855 13.231 -4.053 1.00 0.00 C ATOM 882 CE LYS A 61 7.182 12.899 -4.718 1.00 0.00 C ATOM 883 NZ LYS A 61 7.347 11.434 -4.926 1.00 0.00 N ATOM 0 H LYS A 61 2.681 14.082 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 61 3.056 13.311 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.726 14.582 -2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.874 13.390 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.807 13.147 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.783 11.769 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.049 12.704 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.653 14.297 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.245 13.411 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.000 13.273 -4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.877 11.266 -5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.868 11.026 -4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.411 10.986 -4.995 1.00 0.00 H new ATOM 897 N VAL A 62 3.825 10.823 -1.134 1.00 0.00 N ATOM 898 CA VAL A 62 3.923 9.372 -1.043 1.00 0.00 C ATOM 899 C VAL A 62 2.574 8.750 -0.697 1.00 0.00 C ATOM 900 O VAL A 62 2.123 8.817 0.447 1.00 0.00 O ATOM 901 CB VAL A 62 4.959 8.944 0.013 1.00 0.00 C ATOM 902 CG1 VAL A 62 5.162 7.437 -0.016 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.276 9.672 -0.208 1.00 0.00 C ATOM 0 H VAL A 62 4.111 11.319 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 62 4.244 9.015 -2.022 1.00 0.00 H new ATOM 0 HB VAL A 62 4.580 9.216 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.897 7.154 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.216 6.938 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.518 7.137 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.997 9.358 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.662 9.434 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.115 10.747 -0.130 1.00 0.00 H new ATOM 913 N LYS A 63 1.935 8.145 -1.692 1.00 0.00 N ATOM 914 CA LYS A 63 0.638 7.509 -1.494 1.00 0.00 C ATOM 915 C LYS A 63 0.804 6.037 -1.128 1.00 0.00 C ATOM 916 O LYS A 63 1.813 5.414 -1.461 1.00 0.00 O ATOM 917 CB LYS A 63 -0.214 7.637 -2.758 1.00 0.00 C ATOM 918 CG LYS A 63 -0.143 9.011 -3.403 1.00 0.00 C ATOM 919 CD LYS A 63 -0.882 9.043 -4.730 1.00 0.00 C ATOM 920 CE LYS A 63 -2.345 9.416 -4.545 1.00 0.00 C ATOM 921 NZ LYS A 63 -3.117 8.321 -3.895 1.00 0.00 N ATOM 0 H LYS A 63 2.294 8.082 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 63 0.135 8.016 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.109 6.888 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.252 7.414 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.571 9.753 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.900 9.287 -3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.404 9.761 -5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.812 8.067 -5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.416 10.320 -3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.787 9.646 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.118 8.392 -4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.739 7.401 -4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.033 8.403 -2.862 1.00 0.00 H new ATOM 935 N LEU A 64 -0.191 5.488 -0.441 1.00 0.00 N ATOM 936 CA LEU A 64 -0.156 4.088 -0.031 1.00 0.00 C ATOM 937 C LEU A 64 -1.350 3.325 -0.596 1.00 0.00 C ATOM 938 O LEU A 64 -2.494 3.758 -0.465 1.00 0.00 O ATOM 939 CB LEU A 64 -0.146 3.984 1.495 1.00 0.00 C ATOM 940 CG LEU A 64 1.232 3.970 2.158 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.845 5.362 2.144 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.133 3.444 3.582 1.00 0.00 C ATOM 0 H LEU A 64 -1.032 5.990 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 64 0.757 3.642 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.713 4.822 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.674 3.074 1.781 1.00 0.00 H new ATOM 0 HG LEU A 64 1.881 3.304 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.825 5.333 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.952 5.702 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.198 6.050 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.123 3.441 4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.468 4.085 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.737 2.429 3.568 1.00 0.00 H new ATOM 954 N ALA A 65 -1.074 2.186 -1.223 1.00 0.00 N ATOM 955 CA ALA A 65 -2.125 1.360 -1.804 1.00 0.00 C ATOM 956 C ALA A 65 -1.905 -0.114 -1.484 1.00 0.00 C ATOM 957 O ALA A 65 -0.809 -0.518 -1.096 1.00 0.00 O ATOM 958 CB ALA A 65 -2.190 1.571 -3.310 1.00 0.00 C ATOM 0 H ALA A 65 -0.131 1.814 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.075 1.662 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.979 0.948 -3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.403 2.619 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.234 1.297 -3.757 1.00 0.00 H new ATOM 964 N ALA A 66 -2.954 -0.914 -1.649 1.00 0.00 N ATOM 965 CA ALA A 66 -2.875 -2.344 -1.378 1.00 0.00 C ATOM 966 C ALA A 66 -3.296 -3.157 -2.597 1.00 0.00 C ATOM 967 O ALA A 66 -3.832 -2.615 -3.563 1.00 0.00 O ATOM 968 CB ALA A 66 -3.738 -2.703 -0.178 1.00 0.00 C ATOM 0 H ALA A 66 -3.869 -0.595 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.837 -2.589 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.669 -3.774 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.389 -2.156 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.775 -2.437 -0.383 1.00 0.00 H new ATOM 974 N VAL A 67 -3.049 -4.463 -2.546 1.00 0.00 N ATOM 975 CA VAL A 67 -3.403 -5.351 -3.646 1.00 0.00 C ATOM 976 C VAL A 67 -3.614 -6.778 -3.154 1.00 0.00 C ATOM 977 O VAL A 67 -2.873 -7.268 -2.301 1.00 0.00 O ATOM 978 CB VAL A 67 -2.317 -5.353 -4.738 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.686 -6.313 -5.858 1.00 0.00 C ATOM 980 CG2 VAL A 67 -2.104 -3.947 -5.280 1.00 0.00 C ATOM 0 H VAL A 67 -2.605 -4.928 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.334 -4.974 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.382 -5.693 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.906 -6.300 -6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.784 -7.321 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.633 -6.007 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.333 -3.967 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.036 -3.577 -5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.790 -3.288 -4.470 1.00 0.00 H new ATOM 990 N ASP A 68 -4.630 -7.441 -3.696 1.00 0.00 N ATOM 991 CA ASP A 68 -4.939 -8.814 -3.313 1.00 0.00 C ATOM 992 C ASP A 68 -4.211 -9.806 -4.215 1.00 0.00 C ATOM 993 O ASP A 68 -4.647 -10.079 -5.333 1.00 0.00 O ATOM 994 CB ASP A 68 -6.447 -9.057 -3.378 1.00 0.00 C ATOM 995 CG ASP A 68 -7.222 -8.145 -2.447 1.00 0.00 C ATOM 996 OD1 ASP A 68 -6.807 -6.980 -2.276 1.00 0.00 O ATOM 997 OD2 ASP A 68 -8.243 -8.597 -1.889 1.00 0.00 O ATOM 0 H ASP A 68 -5.254 -7.050 -4.402 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.599 -8.965 -2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.793 -8.906 -4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.656 -10.096 -3.121 1.00 0.00 H new ATOM 1002 N ALA A 69 -3.100 -10.342 -3.721 1.00 0.00 N ATOM 1003 CA ALA A 69 -2.313 -11.305 -4.481 1.00 0.00 C ATOM 1004 C ALA A 69 -3.178 -12.466 -4.959 1.00 0.00 C ATOM 1005 O ALA A 69 -2.800 -13.202 -5.872 1.00 0.00 O ATOM 1006 CB ALA A 69 -1.152 -11.818 -3.642 1.00 0.00 C ATOM 0 H ALA A 69 -2.725 -10.126 -2.798 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.915 -10.798 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.573 -12.536 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.513 -10.983 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.538 -12.303 -2.745 1.00 0.00 H new ATOM 1012 N THR A 70 -4.341 -12.628 -4.335 1.00 0.00 N ATOM 1013 CA THR A 70 -5.258 -13.701 -4.694 1.00 0.00 C ATOM 1014 C THR A 70 -5.912 -13.436 -6.046 1.00 0.00 C ATOM 1015 O THR A 70 -6.295 -14.367 -6.755 1.00 0.00 O ATOM 1016 CB THR A 70 -6.359 -13.880 -3.631 1.00 0.00 C ATOM 1017 OG1 THR A 70 -7.157 -12.694 -3.549 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.751 -14.184 -2.270 1.00 0.00 C ATOM 0 H THR A 70 -4.669 -12.029 -3.578 1.00 0.00 H new ATOM 0 HA THR A 70 -4.667 -14.615 -4.751 1.00 0.00 H new ATOM 0 HB THR A 70 -6.987 -14.720 -3.927 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.856 -12.816 -2.873 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.547 -14.306 -1.535 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.167 -15.103 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.103 -13.361 -1.969 1.00 0.00 H new ATOM 1026 N VAL A 71 -6.036 -12.160 -6.398 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.642 -11.773 -7.666 1.00 0.00 C ATOM 1028 C VAL A 71 -5.600 -11.203 -8.622 1.00 0.00 C ATOM 1029 O VAL A 71 -5.736 -11.309 -9.840 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.757 -10.731 -7.460 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -8.482 -10.458 -8.770 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.732 -11.199 -6.390 1.00 0.00 C ATOM 0 H VAL A 71 -5.725 -11.377 -5.823 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.073 -12.676 -8.099 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.302 -9.800 -7.123 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.266 -9.719 -8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.774 -10.077 -9.505 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.926 -11.382 -9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.513 -10.451 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.182 -12.143 -6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.200 -11.339 -5.449 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.557 -10.599 -8.060 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.491 -10.012 -8.863 1.00 0.00 C ATOM 1044 C ASN A 72 -2.410 -11.044 -9.170 1.00 0.00 C ATOM 1045 O ASN A 72 -1.634 -11.424 -8.293 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.876 -8.815 -8.135 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.658 -7.536 -8.364 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.236 -6.666 -9.127 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.803 -7.415 -7.702 1.00 0.00 N ATOM 0 H ASN A 72 -4.428 -10.504 -7.053 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.924 -9.674 -9.804 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.834 -9.026 -7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.849 -8.676 -8.473 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.371 -6.576 -7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.114 -8.161 -7.080 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.366 -11.493 -10.420 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.380 -12.481 -10.842 1.00 0.00 C ATOM 1058 C GLN A 73 -0.326 -11.848 -11.745 1.00 0.00 C ATOM 1059 O GLN A 73 0.840 -12.242 -11.726 1.00 0.00 O ATOM 1060 CB GLN A 73 -2.066 -13.637 -11.572 1.00 0.00 C ATOM 1061 CG GLN A 73 -3.135 -14.331 -10.744 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.584 -15.481 -9.924 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.794 -16.287 -10.416 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.999 -15.563 -8.665 1.00 0.00 N ATOM 0 H GLN A 73 -3.001 -11.189 -11.158 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.884 -12.866 -9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.517 -13.259 -12.490 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.313 -14.369 -11.865 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.601 -13.605 -10.077 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.917 -14.704 -11.406 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.655 -14.873 -8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.662 -16.316 -8.065 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.745 -10.864 -12.535 1.00 0.00 N ATOM 1074 CA VAL A 74 0.163 -10.176 -13.444 1.00 0.00 C ATOM 1075 C VAL A 74 1.312 -9.523 -12.684 1.00 0.00 C ATOM 1076 O VAL A 74 2.460 -9.547 -13.132 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.573 -9.099 -14.263 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.380 -8.423 -15.237 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.757 -9.707 -15.000 1.00 0.00 C ATOM 0 H VAL A 74 -1.707 -10.526 -12.563 1.00 0.00 H new ATOM 0 HA VAL A 74 0.562 -10.930 -14.123 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.951 -8.341 -13.576 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.159 -7.665 -15.806 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.192 -7.952 -14.683 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.790 -9.167 -15.920 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.266 -8.932 -15.573 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.404 -10.486 -15.676 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.451 -10.139 -14.279 1.00 0.00 H new ATOM 1089 N LEU A 75 0.997 -8.942 -11.532 1.00 0.00 N ATOM 1090 CA LEU A 75 2.004 -8.282 -10.708 1.00 0.00 C ATOM 1091 C LEU A 75 2.695 -9.283 -9.787 1.00 0.00 C ATOM 1092 O LEU A 75 3.919 -9.403 -9.792 1.00 0.00 O ATOM 1093 CB LEU A 75 1.363 -7.167 -9.879 1.00 0.00 C ATOM 1094 CG LEU A 75 0.309 -6.321 -10.594 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.378 -5.383 -9.614 1.00 0.00 C ATOM 1096 CD2 LEU A 75 0.941 -5.534 -11.734 1.00 0.00 C ATOM 0 H LEU A 75 0.053 -8.914 -11.147 1.00 0.00 H new ATOM 0 HA LEU A 75 2.753 -7.849 -11.371 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.904 -7.615 -8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.153 -6.505 -9.525 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.443 -6.990 -11.013 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.125 -4.789 -10.141 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.864 -5.966 -8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.362 -4.720 -9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.177 -4.937 -12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.714 -4.876 -11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.386 -6.225 -12.450 1.00 0.00 H new ATOM 1108 N ALA A 76 1.900 -10.000 -8.999 1.00 0.00 N ATOM 1109 CA ALA A 76 2.434 -10.994 -8.076 1.00 0.00 C ATOM 1110 C ALA A 76 3.477 -11.873 -8.759 1.00 0.00 C ATOM 1111 O ALA A 76 4.377 -12.403 -8.109 1.00 0.00 O ATOM 1112 CB ALA A 76 1.309 -11.848 -7.511 1.00 0.00 C ATOM 0 H ALA A 76 0.884 -9.911 -8.981 1.00 0.00 H new ATOM 0 HA ALA A 76 2.922 -10.467 -7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.722 -12.586 -6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.602 -11.212 -6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.796 -12.359 -8.326 1.00 0.00 H new ATOM 1118 N SER A 77 3.347 -12.024 -10.073 1.00 0.00 N ATOM 1119 CA SER A 77 4.276 -12.843 -10.844 1.00 0.00 C ATOM 1120 C SER A 77 5.510 -12.039 -11.240 1.00 0.00 C ATOM 1121 O SER A 77 6.631 -12.547 -11.213 1.00 0.00 O ATOM 1122 CB SER A 77 3.587 -13.393 -12.094 1.00 0.00 C ATOM 1123 OG SER A 77 4.359 -14.420 -12.692 1.00 0.00 O ATOM 0 H SER A 77 2.608 -11.590 -10.626 1.00 0.00 H new ATOM 0 HA SER A 77 4.594 -13.676 -10.217 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.603 -13.780 -11.830 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.430 -12.587 -12.811 1.00 0.00 H new ATOM 0 HG SER A 77 3.896 -14.756 -13.488 1.00 0.00 H new ATOM 1129 N ARG A 78 5.295 -10.780 -11.608 1.00 0.00 N ATOM 1130 CA ARG A 78 6.388 -9.904 -12.012 1.00 0.00 C ATOM 1131 C ARG A 78 7.470 -9.854 -10.937 1.00 0.00 C ATOM 1132 O ARG A 78 8.657 -9.995 -11.229 1.00 0.00 O ATOM 1133 CB ARG A 78 5.864 -8.494 -12.291 1.00 0.00 C ATOM 1134 CG ARG A 78 6.856 -7.611 -13.030 1.00 0.00 C ATOM 1135 CD ARG A 78 6.307 -6.208 -13.236 1.00 0.00 C ATOM 1136 NE ARG A 78 7.108 -5.441 -14.187 1.00 0.00 N ATOM 1137 CZ ARG A 78 8.340 -5.014 -13.934 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.910 -5.279 -12.766 1.00 0.00 N ATOM 1139 NH2 ARG A 78 9.005 -4.322 -14.850 1.00 0.00 N ATOM 0 H ARG A 78 4.373 -10.344 -11.635 1.00 0.00 H new ATOM 0 HA ARG A 78 6.826 -10.308 -12.925 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.947 -8.565 -12.877 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.602 -8.019 -11.346 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.788 -7.559 -12.467 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.091 -8.056 -13.997 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.279 -6.270 -13.594 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.280 -5.685 -12.280 1.00 0.00 H new ATOM 0 HE ARG A 78 6.699 -5.221 -15.095 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.402 -5.812 -12.060 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.856 -4.950 -12.574 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.570 -4.117 -15.750 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.951 -3.995 -14.655 1.00 0.00 H new ATOM 1153 N TYR A 79 7.050 -9.651 -9.693 1.00 0.00 N ATOM 1154 CA TYR A 79 7.983 -9.579 -8.574 1.00 0.00 C ATOM 1155 C TYR A 79 8.019 -10.899 -7.809 1.00 0.00 C ATOM 1156 O TYR A 79 8.983 -11.194 -7.104 1.00 0.00 O ATOM 1157 CB TYR A 79 7.593 -8.440 -7.631 1.00 0.00 C ATOM 1158 CG TYR A 79 7.130 -7.192 -8.347 1.00 0.00 C ATOM 1159 CD1 TYR A 79 5.838 -7.093 -8.848 1.00 0.00 C ATOM 1160 CD2 TYR A 79 7.986 -6.111 -8.523 1.00 0.00 C ATOM 1161 CE1 TYR A 79 5.411 -5.954 -9.504 1.00 0.00 C ATOM 1162 CE2 TYR A 79 7.567 -4.968 -9.177 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.280 -4.895 -9.666 1.00 0.00 C ATOM 1164 OH TYR A 79 5.858 -3.758 -10.317 1.00 0.00 O ATOM 0 H TYR A 79 6.070 -9.533 -9.434 1.00 0.00 H new ATOM 0 HA TYR A 79 8.978 -9.385 -8.975 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.799 -8.784 -6.968 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.448 -8.192 -7.002 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.155 -7.921 -8.723 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.995 -6.165 -8.142 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.403 -5.893 -9.887 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.244 -4.136 -9.304 1.00 0.00 H new ATOM 0 HH TYR A 79 5.792 -3.019 -9.676 1.00 0.00 H new ATOM 1174 N GLY A 80 6.959 -11.689 -7.955 1.00 0.00 N ATOM 1175 CA GLY A 80 6.889 -12.968 -7.272 1.00 0.00 C ATOM 1176 C GLY A 80 6.366 -12.841 -5.855 1.00 0.00 C ATOM 1177 O GLY A 80 6.862 -13.502 -4.942 1.00 0.00 O ATOM 0 H GLY A 80 6.149 -11.466 -8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.244 -13.642 -7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.881 -13.420 -7.251 1.00 0.00 H new ATOM 1181 N ILE A 81 5.364 -11.989 -5.670 1.00 0.00 N ATOM 1182 CA ILE A 81 4.774 -11.778 -4.354 1.00 0.00 C ATOM 1183 C ILE A 81 4.098 -13.046 -3.844 1.00 0.00 C ATOM 1184 O ILE A 81 3.013 -13.408 -4.299 1.00 0.00 O ATOM 1185 CB ILE A 81 3.744 -10.633 -4.375 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.348 -9.386 -5.024 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.266 -10.324 -2.965 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.469 -8.768 -4.217 1.00 0.00 C ATOM 0 H ILE A 81 4.943 -11.433 -6.415 1.00 0.00 H new ATOM 0 HA ILE A 81 5.590 -11.509 -3.683 1.00 0.00 H new ATOM 0 HB ILE A 81 2.885 -10.948 -4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.724 -9.647 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.562 -8.644 -5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.539 -9.513 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.801 -11.212 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.115 -10.026 -2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.850 -7.889 -4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.093 -8.476 -3.237 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.273 -9.494 -4.096 1.00 0.00 H new ATOM 1200 N ARG A 82 4.746 -13.715 -2.897 1.00 0.00 N ATOM 1201 CA ARG A 82 4.207 -14.943 -2.324 1.00 0.00 C ATOM 1202 C ARG A 82 4.213 -14.881 -0.800 1.00 0.00 C ATOM 1203 O ARG A 82 3.362 -15.477 -0.140 1.00 0.00 O ATOM 1204 CB ARG A 82 5.017 -16.151 -2.799 1.00 0.00 C ATOM 1205 CG ARG A 82 6.508 -16.028 -2.530 1.00 0.00 C ATOM 1206 CD ARG A 82 7.326 -16.767 -3.578 1.00 0.00 C ATOM 1207 NE ARG A 82 7.580 -18.154 -3.195 1.00 0.00 N ATOM 1208 CZ ARG A 82 8.340 -18.983 -3.901 1.00 0.00 C ATOM 1209 NH1 ARG A 82 8.918 -18.568 -5.020 1.00 0.00 N ATOM 1210 NH2 ARG A 82 8.523 -20.231 -3.489 1.00 0.00 N ATOM 0 H ARG A 82 5.645 -13.428 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 82 3.176 -15.049 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.640 -17.047 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.859 -16.286 -3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.792 -14.976 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.735 -16.428 -1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.799 -16.745 -4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.275 -16.252 -3.727 1.00 0.00 H new ATOM 0 HE ARG A 82 7.150 -18.504 -2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.779 -17.610 -5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.501 -19.207 -5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.080 -20.554 -2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.107 -20.867 -4.032 1.00 0.00 H new ATOM 1224 N GLY A 83 5.179 -14.154 -0.246 1.00 0.00 N ATOM 1225 CA GLY A 83 5.278 -14.027 1.196 1.00 0.00 C ATOM 1226 C GLY A 83 4.653 -12.745 1.710 1.00 0.00 C ATOM 1227 O GLY A 83 5.304 -11.701 1.748 1.00 0.00 O ATOM 0 H GLY A 83 5.895 -13.651 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.789 -14.880 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.327 -14.059 1.489 1.00 0.00 H new ATOM 1231 N PHE A 84 3.386 -12.822 2.105 1.00 0.00 N ATOM 1232 CA PHE A 84 2.673 -11.658 2.616 1.00 0.00 C ATOM 1233 C PHE A 84 2.752 -11.597 4.139 1.00 0.00 C ATOM 1234 O PHE A 84 2.913 -12.611 4.818 1.00 0.00 O ATOM 1235 CB PHE A 84 1.209 -11.695 2.171 1.00 0.00 C ATOM 1236 CG PHE A 84 0.997 -12.404 0.865 1.00 0.00 C ATOM 1237 CD1 PHE A 84 1.963 -12.359 -0.128 1.00 0.00 C ATOM 1238 CD2 PHE A 84 -0.167 -13.117 0.629 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.770 -13.010 -1.332 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.365 -13.771 -0.573 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.605 -13.718 -1.554 1.00 0.00 C ATOM 0 H PHE A 84 2.833 -13.678 2.081 1.00 0.00 H new ATOM 0 HA PHE A 84 3.147 -10.765 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.616 -12.186 2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.838 -10.674 2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.877 -11.809 0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.929 -13.163 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.530 -12.965 -2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.277 -14.323 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.453 -14.229 -2.493 1.00 0.00 H new ATOM 1251 N PRO A 85 2.637 -10.379 4.688 1.00 0.00 N ATOM 1252 CA PRO A 85 2.446 -9.165 3.889 1.00 0.00 C ATOM 1253 C PRO A 85 3.691 -8.794 3.090 1.00 0.00 C ATOM 1254 O PRO A 85 4.811 -9.134 3.473 1.00 0.00 O ATOM 1255 CB PRO A 85 2.146 -8.092 4.939 1.00 0.00 C ATOM 1256 CG PRO A 85 2.788 -8.593 6.187 1.00 0.00 C ATOM 1257 CD PRO A 85 2.686 -10.093 6.132 1.00 0.00 C ATOM 0 HA PRO A 85 1.658 -9.287 3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.554 -7.125 4.645 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.073 -7.958 5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.829 -8.275 6.245 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.284 -8.200 7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.542 -10.572 6.608 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.794 -10.454 6.644 1.00 0.00 H new ATOM 1265 N THR A 86 3.488 -8.095 1.978 1.00 0.00 N ATOM 1266 CA THR A 86 4.594 -7.679 1.125 1.00 0.00 C ATOM 1267 C THR A 86 4.478 -6.205 0.753 1.00 0.00 C ATOM 1268 O THR A 86 3.465 -5.773 0.202 1.00 0.00 O ATOM 1269 CB THR A 86 4.656 -8.519 -0.165 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.678 -9.913 0.159 1.00 0.00 O ATOM 1271 CG2 THR A 86 5.887 -8.163 -0.984 1.00 0.00 C ATOM 0 H THR A 86 2.568 -7.805 1.647 1.00 0.00 H new ATOM 0 HA THR A 86 5.509 -7.836 1.696 1.00 0.00 H new ATOM 0 HB THR A 86 3.769 -8.299 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.095 -10.038 1.037 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.909 -8.769 -1.890 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.852 -7.108 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.784 -8.357 -0.396 1.00 0.00 H new ATOM 1279 N ILE A 87 5.519 -5.439 1.057 1.00 0.00 N ATOM 1280 CA ILE A 87 5.533 -4.013 0.752 1.00 0.00 C ATOM 1281 C ILE A 87 6.639 -3.674 -0.241 1.00 0.00 C ATOM 1282 O ILE A 87 7.775 -4.129 -0.102 1.00 0.00 O ATOM 1283 CB ILE A 87 5.725 -3.168 2.025 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.631 -3.487 3.046 1.00 0.00 C ATOM 1285 CG2 ILE A 87 5.720 -1.685 1.682 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.076 -3.316 4.481 1.00 0.00 C ATOM 0 H ILE A 87 6.364 -5.781 1.514 1.00 0.00 H new ATOM 0 HA ILE A 87 4.566 -3.775 0.310 1.00 0.00 H new ATOM 0 HB ILE A 87 6.690 -3.417 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.773 -2.841 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.295 -4.513 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.857 -1.101 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.532 -1.470 0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.768 -1.421 1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.250 -3.559 5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.915 -3.982 4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.384 -2.284 4.646 1.00 0.00 H new ATOM 1298 N LYS A 88 6.301 -2.871 -1.244 1.00 0.00 N ATOM 1299 CA LYS A 88 7.265 -2.467 -2.261 1.00 0.00 C ATOM 1300 C LYS A 88 7.077 -1.001 -2.636 1.00 0.00 C ATOM 1301 O LYS A 88 5.951 -0.536 -2.817 1.00 0.00 O ATOM 1302 CB LYS A 88 7.122 -3.345 -3.506 1.00 0.00 C ATOM 1303 CG LYS A 88 7.191 -4.834 -3.211 1.00 0.00 C ATOM 1304 CD LYS A 88 8.616 -5.354 -3.300 1.00 0.00 C ATOM 1305 CE LYS A 88 8.647 -6.862 -3.495 1.00 0.00 C ATOM 1306 NZ LYS A 88 8.412 -7.243 -4.916 1.00 0.00 N ATOM 0 H LYS A 88 5.365 -2.487 -1.375 1.00 0.00 H new ATOM 0 HA LYS A 88 8.266 -2.593 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.171 -3.123 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.909 -3.087 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.794 -5.027 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.560 -5.375 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.131 -4.868 -4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.158 -5.092 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.612 -7.250 -3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.888 -7.325 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.963 -8.180 -4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.789 -6.542 -5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.320 -7.273 -5.422 1.00 0.00 H new ATOM 1320 N ILE A 89 8.186 -0.278 -2.751 1.00 0.00 N ATOM 1321 CA ILE A 89 8.143 1.135 -3.108 1.00 0.00 C ATOM 1322 C ILE A 89 8.492 1.342 -4.578 1.00 0.00 C ATOM 1323 O ILE A 89 9.459 0.773 -5.083 1.00 0.00 O ATOM 1324 CB ILE A 89 9.109 1.964 -2.241 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.713 1.871 -0.766 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.122 3.414 -2.701 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.138 0.578 -0.106 1.00 0.00 C ATOM 0 H ILE A 89 9.125 -0.647 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 89 7.123 1.475 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 89 10.114 1.558 -2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 89 9.156 2.708 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.631 1.974 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.809 3.987 -2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.447 3.463 -3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.119 3.832 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.824 0.582 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.674 -0.263 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.223 0.482 -0.158 1.00 0.00 H new ATOM 1339 N PHE A 90 7.698 2.162 -5.259 1.00 0.00 N ATOM 1340 CA PHE A 90 7.922 2.445 -6.671 1.00 0.00 C ATOM 1341 C PHE A 90 8.186 3.932 -6.892 1.00 0.00 C ATOM 1342 O PHE A 90 7.309 4.767 -6.672 1.00 0.00 O ATOM 1343 CB PHE A 90 6.716 2.001 -7.501 1.00 0.00 C ATOM 1344 CG PHE A 90 6.542 0.510 -7.555 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.892 -0.162 -6.532 1.00 0.00 C ATOM 1346 CD2 PHE A 90 7.028 -0.219 -8.627 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.729 -1.534 -6.579 1.00 0.00 C ATOM 1348 CE2 PHE A 90 6.869 -1.591 -8.680 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.219 -2.249 -7.653 1.00 0.00 C ATOM 0 H PHE A 90 6.894 2.642 -4.855 1.00 0.00 H new ATOM 0 HA PHE A 90 8.800 1.886 -6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.814 2.449 -7.085 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.823 2.383 -8.516 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.508 0.393 -5.688 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.537 0.290 -9.432 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.219 -2.046 -5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.252 -2.148 -9.522 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.095 -3.321 -7.691 1.00 0.00 H new ATOM 1359 N GLN A 91 9.400 4.253 -7.328 1.00 0.00 N ATOM 1360 CA GLN A 91 9.780 5.639 -7.577 1.00 0.00 C ATOM 1361 C GLN A 91 9.957 5.894 -9.070 1.00 0.00 C ATOM 1362 O GLN A 91 10.841 5.322 -9.708 1.00 0.00 O ATOM 1363 CB GLN A 91 11.072 5.977 -6.832 1.00 0.00 C ATOM 1364 CG GLN A 91 10.923 5.971 -5.320 1.00 0.00 C ATOM 1365 CD GLN A 91 12.257 5.944 -4.601 1.00 0.00 C ATOM 1366 OE1 GLN A 91 13.084 6.841 -4.770 1.00 0.00 O ATOM 1367 NE2 GLN A 91 12.475 4.913 -3.794 1.00 0.00 N ATOM 0 H GLN A 91 10.137 3.573 -7.516 1.00 0.00 H new ATOM 0 HA GLN A 91 8.980 6.281 -7.210 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.843 5.260 -7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 91 11.418 6.960 -7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.366 6.855 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.336 5.103 -5.020 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.762 4.192 -3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.356 4.842 -3.284 1.00 0.00 H new ATOM 1376 N LYS A 92 9.111 6.758 -9.622 1.00 0.00 N ATOM 1377 CA LYS A 92 9.174 7.091 -11.040 1.00 0.00 C ATOM 1378 C LYS A 92 10.553 7.625 -11.413 1.00 0.00 C ATOM 1379 O LYS A 92 10.940 8.717 -10.999 1.00 0.00 O ATOM 1380 CB LYS A 92 8.103 8.126 -11.390 1.00 0.00 C ATOM 1381 CG LYS A 92 7.667 8.083 -12.844 1.00 0.00 C ATOM 1382 CD LYS A 92 6.756 6.899 -13.118 1.00 0.00 C ATOM 1383 CE LYS A 92 6.832 6.462 -14.573 1.00 0.00 C ATOM 1384 NZ LYS A 92 6.523 5.014 -14.735 1.00 0.00 N ATOM 0 H LYS A 92 8.374 7.240 -9.108 1.00 0.00 H new ATOM 0 HA LYS A 92 8.990 6.180 -11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.233 7.965 -10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.484 9.122 -11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.149 9.008 -13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.545 8.024 -13.487 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.035 6.067 -12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.728 7.164 -12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.132 7.051 -15.166 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.830 6.666 -14.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.368 4.515 -15.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.234 4.616 -13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.750 4.899 -15.422 1.00 0.00 H new ATOM 1398 N GLY A 93 11.291 6.847 -12.200 1.00 0.00 N ATOM 1399 CA GLY A 93 12.619 7.260 -12.616 1.00 0.00 C ATOM 1400 C GLY A 93 13.661 6.184 -12.382 1.00 0.00 C ATOM 1401 O GLY A 93 14.477 5.902 -13.259 1.00 0.00 O ATOM 0 H GLY A 93 10.993 5.939 -12.556 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.600 7.519 -13.675 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.903 8.161 -12.072 1.00 0.00 H new ATOM 1405 N GLU A 94 13.634 5.585 -11.196 1.00 0.00 N ATOM 1406 CA GLU A 94 14.586 4.536 -10.850 1.00 0.00 C ATOM 1407 C GLU A 94 13.862 3.237 -10.505 1.00 0.00 C ATOM 1408 O GLU A 94 12.638 3.209 -10.386 1.00 0.00 O ATOM 1409 CB GLU A 94 15.456 4.976 -9.670 1.00 0.00 C ATOM 1410 CG GLU A 94 16.486 6.031 -10.035 1.00 0.00 C ATOM 1411 CD GLU A 94 17.243 6.549 -8.827 1.00 0.00 C ATOM 1412 OE1 GLU A 94 18.147 5.836 -8.342 1.00 0.00 O ATOM 1413 OE2 GLU A 94 16.932 7.667 -8.367 1.00 0.00 O ATOM 0 H GLU A 94 12.964 5.808 -10.459 1.00 0.00 H new ATOM 0 HA GLU A 94 15.223 4.358 -11.716 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.813 5.365 -8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.969 4.105 -9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.193 5.611 -10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.988 6.864 -10.531 1.00 0.00 H new ATOM 1420 N SER A 95 14.630 2.163 -10.349 1.00 0.00 N ATOM 1421 CA SER A 95 14.063 0.859 -10.023 1.00 0.00 C ATOM 1422 C SER A 95 13.333 0.904 -8.684 1.00 0.00 C ATOM 1423 O SER A 95 13.616 1.735 -7.821 1.00 0.00 O ATOM 1424 CB SER A 95 15.163 -0.203 -9.983 1.00 0.00 C ATOM 1425 OG SER A 95 15.712 -0.320 -8.681 1.00 0.00 O ATOM 0 H SER A 95 15.646 2.170 -10.443 1.00 0.00 H new ATOM 0 HA SER A 95 13.344 0.598 -10.800 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.756 -1.164 -10.297 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.950 0.057 -10.691 1.00 0.00 H new ATOM 0 HG SER A 95 16.412 -1.006 -8.681 1.00 0.00 H new ATOM 1431 N PRO A 96 12.371 -0.014 -8.505 1.00 0.00 N ATOM 1432 CA PRO A 96 11.581 -0.102 -7.273 1.00 0.00 C ATOM 1433 C PRO A 96 12.406 -0.593 -6.089 1.00 0.00 C ATOM 1434 O PRO A 96 13.579 -0.935 -6.236 1.00 0.00 O ATOM 1435 CB PRO A 96 10.490 -1.117 -7.624 1.00 0.00 C ATOM 1436 CG PRO A 96 11.083 -1.952 -8.706 1.00 0.00 C ATOM 1437 CD PRO A 96 11.981 -1.036 -9.490 1.00 0.00 C ATOM 0 HA PRO A 96 11.195 0.870 -6.965 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.220 -1.723 -6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.580 -0.620 -7.961 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.645 -2.788 -8.290 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.306 -2.376 -9.342 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.848 -1.565 -9.885 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.461 -0.596 -10.341 1.00 0.00 H new ATOM 1445 N VAL A 97 11.784 -0.627 -4.914 1.00 0.00 N ATOM 1446 CA VAL A 97 12.461 -1.079 -3.704 1.00 0.00 C ATOM 1447 C VAL A 97 11.618 -2.102 -2.952 1.00 0.00 C ATOM 1448 O VAL A 97 10.407 -2.193 -3.155 1.00 0.00 O ATOM 1449 CB VAL A 97 12.776 0.100 -2.764 1.00 0.00 C ATOM 1450 CG1 VAL A 97 13.167 -0.407 -1.385 1.00 0.00 C ATOM 1451 CG2 VAL A 97 13.876 0.971 -3.353 1.00 0.00 C ATOM 0 H VAL A 97 10.813 -0.347 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 97 13.395 -1.544 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 97 11.878 0.709 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.386 0.440 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 97 12.345 -0.985 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.051 -1.040 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.086 1.799 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.779 0.375 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.552 1.363 -4.317 1.00 0.00 H new ATOM 1461 N ASP A 98 12.266 -2.871 -2.084 1.00 0.00 N ATOM 1462 CA ASP A 98 11.575 -3.888 -1.300 1.00 0.00 C ATOM 1463 C ASP A 98 11.642 -3.565 0.189 1.00 0.00 C ATOM 1464 O ASP A 98 12.687 -3.722 0.823 1.00 0.00 O ATOM 1465 CB ASP A 98 12.184 -5.266 -1.563 1.00 0.00 C ATOM 1466 CG ASP A 98 13.546 -5.430 -0.917 1.00 0.00 C ATOM 1467 OD1 ASP A 98 14.491 -4.732 -1.340 1.00 0.00 O ATOM 1468 OD2 ASP A 98 13.667 -6.258 0.010 1.00 0.00 O ATOM 0 H ASP A 98 13.268 -2.810 -1.906 1.00 0.00 H new ATOM 0 HA ASP A 98 10.529 -3.897 -1.605 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.511 -6.036 -1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.274 -5.421 -2.638 1.00 0.00 H new ATOM 1473 N TYR A 99 10.523 -3.111 0.742 1.00 0.00 N ATOM 1474 CA TYR A 99 10.456 -2.762 2.156 1.00 0.00 C ATOM 1475 C TYR A 99 10.295 -4.010 3.018 1.00 0.00 C ATOM 1476 O TYR A 99 9.390 -4.816 2.801 1.00 0.00 O ATOM 1477 CB TYR A 99 9.294 -1.799 2.410 1.00 0.00 C ATOM 1478 CG TYR A 99 9.231 -1.289 3.832 1.00 0.00 C ATOM 1479 CD1 TYR A 99 8.577 -2.010 4.822 1.00 0.00 C ATOM 1480 CD2 TYR A 99 9.828 -0.084 4.185 1.00 0.00 C ATOM 1481 CE1 TYR A 99 8.516 -1.547 6.122 1.00 0.00 C ATOM 1482 CE2 TYR A 99 9.773 0.386 5.483 1.00 0.00 C ATOM 1483 CZ TYR A 99 9.116 -0.348 6.448 1.00 0.00 C ATOM 1484 OH TYR A 99 9.060 0.116 7.742 1.00 0.00 O ATOM 0 H TYR A 99 9.650 -2.976 0.233 1.00 0.00 H new ATOM 0 HA TYR A 99 11.391 -2.273 2.429 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.382 -0.950 1.732 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.357 -2.302 2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.108 -2.950 4.571 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.343 0.494 3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.002 -2.120 6.879 1.00 0.00 H new ATOM 0 HE2 TYR A 99 10.242 1.324 5.741 1.00 0.00 H new ATOM 0 HH TYR A 99 9.532 0.973 7.803 1.00 0.00 H new ATOM 1494 N ASP A 100 11.180 -4.162 3.998 1.00 0.00 N ATOM 1495 CA ASP A 100 11.136 -5.310 4.895 1.00 0.00 C ATOM 1496 C ASP A 100 11.287 -4.870 6.348 1.00 0.00 C ATOM 1497 O ASP A 100 12.304 -5.139 6.987 1.00 0.00 O ATOM 1498 CB ASP A 100 12.238 -6.308 4.535 1.00 0.00 C ATOM 1499 CG ASP A 100 11.841 -7.221 3.392 1.00 0.00 C ATOM 1500 OD1 ASP A 100 11.188 -6.737 2.444 1.00 0.00 O ATOM 1501 OD2 ASP A 100 12.184 -8.421 3.445 1.00 0.00 O ATOM 0 H ASP A 100 11.936 -3.505 4.191 1.00 0.00 H new ATOM 0 HA ASP A 100 10.166 -5.794 4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.143 -5.764 4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.479 -6.911 5.411 1.00 0.00 H new ATOM 1506 N GLY A 101 10.267 -4.191 6.864 1.00 0.00 N ATOM 1507 CA GLY A 101 10.306 -3.723 8.238 1.00 0.00 C ATOM 1508 C GLY A 101 9.128 -4.219 9.053 1.00 0.00 C ATOM 1509 O GLY A 101 8.576 -5.283 8.775 1.00 0.00 O ATOM 0 H GLY A 101 9.414 -3.957 6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.233 -4.055 8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.317 -2.633 8.247 1.00 0.00 H new ATOM 1513 N GLY A 102 8.744 -3.447 10.065 1.00 0.00 N ATOM 1514 CA GLY A 102 7.628 -3.831 10.909 1.00 0.00 C ATOM 1515 C GLY A 102 6.287 -3.516 10.276 1.00 0.00 C ATOM 1516 O GLY A 102 5.243 -3.659 10.913 1.00 0.00 O ATOM 0 H GLY A 102 9.186 -2.562 10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.686 -4.899 11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.705 -3.314 11.866 1.00 0.00 H new ATOM 1520 N ARG A 103 6.314 -3.085 9.019 1.00 0.00 N ATOM 1521 CA ARG A 103 5.091 -2.745 8.301 1.00 0.00 C ATOM 1522 C ARG A 103 4.099 -2.039 9.220 1.00 0.00 C ATOM 1523 O ARG A 103 2.889 -2.086 8.999 1.00 0.00 O ATOM 1524 CB ARG A 103 4.452 -4.006 7.715 1.00 0.00 C ATOM 1525 CG ARG A 103 3.916 -4.962 8.768 1.00 0.00 C ATOM 1526 CD ARG A 103 4.984 -5.945 9.223 1.00 0.00 C ATOM 1527 NE ARG A 103 4.919 -7.204 8.486 1.00 0.00 N ATOM 1528 CZ ARG A 103 5.672 -8.261 8.770 1.00 0.00 C ATOM 1529 NH1 ARG A 103 6.541 -8.211 9.769 1.00 0.00 N ATOM 1530 NH2 ARG A 103 5.555 -9.372 8.053 1.00 0.00 N ATOM 0 H ARG A 103 7.169 -2.963 8.477 1.00 0.00 H new ATOM 0 HA ARG A 103 5.353 -2.067 7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.637 -3.716 7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.190 -4.527 7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 103 3.553 -4.395 9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 103 3.064 -5.509 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.969 -5.497 9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.865 -6.142 10.288 1.00 0.00 H new ATOM 0 HE ARG A 103 4.260 -7.276 7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.633 -7.359 10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.118 -9.024 9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.887 -9.414 7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.133 -10.183 8.271 1.00 0.00 H new ATOM 1544 N THR A 104 4.620 -1.385 10.253 1.00 0.00 N ATOM 1545 CA THR A 104 3.781 -0.670 11.207 1.00 0.00 C ATOM 1546 C THR A 104 3.714 0.816 10.875 1.00 0.00 C ATOM 1547 O THR A 104 4.730 1.439 10.563 1.00 0.00 O ATOM 1548 CB THR A 104 4.299 -0.839 12.648 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.632 -0.327 12.753 1.00 0.00 O ATOM 1550 CG2 THR A 104 4.279 -2.303 13.061 1.00 0.00 C ATOM 0 H THR A 104 5.619 -1.336 10.451 1.00 0.00 H new ATOM 0 HA THR A 104 2.783 -1.101 11.134 1.00 0.00 H new ATOM 0 HB THR A 104 3.642 -0.280 13.315 1.00 0.00 H new ATOM 0 HG1 THR A 104 5.953 -0.437 13.672 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.649 -2.398 14.082 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.258 -2.682 13.008 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.915 -2.879 12.389 1.00 0.00 H new ATOM 1558 N ARG A 105 2.513 1.380 10.944 1.00 0.00 N ATOM 1559 CA ARG A 105 2.314 2.794 10.650 1.00 0.00 C ATOM 1560 C ARG A 105 3.480 3.627 11.172 1.00 0.00 C ATOM 1561 O ARG A 105 3.851 4.637 10.575 1.00 0.00 O ATOM 1562 CB ARG A 105 1.004 3.286 11.268 1.00 0.00 C ATOM 1563 CG ARG A 105 1.154 3.783 12.696 1.00 0.00 C ATOM 1564 CD ARG A 105 -0.199 4.026 13.346 1.00 0.00 C ATOM 1565 NE ARG A 105 -0.069 4.459 14.735 1.00 0.00 N ATOM 1566 CZ ARG A 105 -1.029 4.315 15.643 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -2.182 3.752 15.309 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -0.835 4.733 16.887 1.00 0.00 N ATOM 0 H ARG A 105 1.662 0.879 11.201 1.00 0.00 H new ATOM 0 HA ARG A 105 2.263 2.911 9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.601 4.090 10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.276 2.475 11.249 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.713 3.052 13.280 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.733 4.706 12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.743 4.782 12.780 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.790 3.111 13.305 1.00 0.00 H new ATOM 0 HE ARG A 105 0.806 4.896 15.024 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.334 3.428 14.354 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.917 3.642 16.007 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.051 5.165 17.147 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.572 4.622 17.583 1.00 0.00 H new ATOM 1582 N SER A 106 4.054 3.196 12.291 1.00 0.00 N ATOM 1583 CA SER A 106 5.175 3.905 12.897 1.00 0.00 C ATOM 1584 C SER A 106 6.428 3.777 12.036 1.00 0.00 C ATOM 1585 O SER A 106 7.135 4.757 11.799 1.00 0.00 O ATOM 1586 CB SER A 106 5.450 3.362 14.301 1.00 0.00 C ATOM 1587 OG SER A 106 4.300 3.466 15.122 1.00 0.00 O ATOM 0 H SER A 106 3.761 2.360 12.796 1.00 0.00 H new ATOM 0 HA SER A 106 4.910 4.960 12.968 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.762 2.319 14.237 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.274 3.914 14.753 1.00 0.00 H new ATOM 0 HG SER A 106 4.501 3.111 16.013 1.00 0.00 H new ATOM 1593 N ASP A 107 6.696 2.562 11.570 1.00 0.00 N ATOM 1594 CA ASP A 107 7.863 2.304 10.733 1.00 0.00 C ATOM 1595 C ASP A 107 7.610 2.751 9.297 1.00 0.00 C ATOM 1596 O ASP A 107 8.402 3.498 8.721 1.00 0.00 O ATOM 1597 CB ASP A 107 8.220 0.817 10.763 1.00 0.00 C ATOM 1598 CG ASP A 107 8.347 0.281 12.176 1.00 0.00 C ATOM 1599 OD1 ASP A 107 7.867 0.954 13.112 1.00 0.00 O ATOM 1600 OD2 ASP A 107 8.926 -0.812 12.345 1.00 0.00 O ATOM 0 H ASP A 107 6.121 1.740 11.757 1.00 0.00 H new ATOM 0 HA ASP A 107 8.700 2.878 11.131 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.455 0.252 10.230 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.159 0.661 10.232 1.00 0.00 H new ATOM 1605 N ILE A 108 6.505 2.287 8.724 1.00 0.00 N ATOM 1606 CA ILE A 108 6.149 2.639 7.355 1.00 0.00 C ATOM 1607 C ILE A 108 6.250 4.144 7.130 1.00 0.00 C ATOM 1608 O ILE A 108 6.820 4.597 6.138 1.00 0.00 O ATOM 1609 CB ILE A 108 4.723 2.173 7.007 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.603 0.657 7.174 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.364 2.585 5.587 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.181 0.182 7.376 1.00 0.00 C ATOM 0 H ILE A 108 5.841 1.666 9.186 1.00 0.00 H new ATOM 0 HA ILE A 108 6.858 2.129 6.703 1.00 0.00 H new ATOM 0 HB ILE A 108 4.023 2.651 7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.019 0.169 6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.206 0.345 8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.353 2.249 5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.415 3.670 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.067 2.131 4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.172 -0.902 7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.768 0.642 8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.577 0.463 6.513 1.00 0.00 H new ATOM 1624 N VAL A 109 5.693 4.914 8.060 1.00 0.00 N ATOM 1625 CA VAL A 109 5.722 6.368 7.965 1.00 0.00 C ATOM 1626 C VAL A 109 7.150 6.896 8.054 1.00 0.00 C ATOM 1627 O VAL A 109 7.558 7.747 7.263 1.00 0.00 O ATOM 1628 CB VAL A 109 4.876 7.020 9.075 1.00 0.00 C ATOM 1629 CG1 VAL A 109 5.033 8.533 9.048 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.414 6.625 8.930 1.00 0.00 C ATOM 0 H VAL A 109 5.217 4.555 8.887 1.00 0.00 H new ATOM 0 HA VAL A 109 5.300 6.630 6.995 1.00 0.00 H new ATOM 0 HB VAL A 109 5.233 6.659 10.040 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.428 8.976 9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.080 8.793 9.203 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.704 8.916 8.082 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.830 7.094 9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.042 6.956 7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.321 5.541 9.004 1.00 0.00 H new ATOM 1640 N SER A 110 7.905 6.385 9.021 1.00 0.00 N ATOM 1641 CA SER A 110 9.287 6.808 9.215 1.00 0.00 C ATOM 1642 C SER A 110 10.101 6.608 7.940 1.00 0.00 C ATOM 1643 O SER A 110 11.089 7.304 7.706 1.00 0.00 O ATOM 1644 CB SER A 110 9.923 6.028 10.367 1.00 0.00 C ATOM 1645 OG SER A 110 10.942 6.787 10.996 1.00 0.00 O ATOM 0 H SER A 110 7.583 5.678 9.682 1.00 0.00 H new ATOM 0 HA SER A 110 9.285 7.870 9.461 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.158 5.764 11.098 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.340 5.094 9.991 1.00 0.00 H new ATOM 0 HG SER A 110 11.332 6.267 11.730 1.00 0.00 H new ATOM 1651 N ARG A 111 9.677 5.653 7.119 1.00 0.00 N ATOM 1652 CA ARG A 111 10.366 5.360 5.868 1.00 0.00 C ATOM 1653 C ARG A 111 9.874 6.273 4.749 1.00 0.00 C ATOM 1654 O ARG A 111 10.655 7.006 4.144 1.00 0.00 O ATOM 1655 CB ARG A 111 10.155 3.896 5.476 1.00 0.00 C ATOM 1656 CG ARG A 111 10.677 3.556 4.089 1.00 0.00 C ATOM 1657 CD ARG A 111 12.174 3.290 4.107 1.00 0.00 C ATOM 1658 NE ARG A 111 12.599 2.473 2.974 1.00 0.00 N ATOM 1659 CZ ARG A 111 13.757 1.824 2.929 1.00 0.00 C ATOM 1660 NH1 ARG A 111 14.601 1.896 3.948 1.00 0.00 N ATOM 1661 NH2 ARG A 111 14.072 1.100 1.862 1.00 0.00 N ATOM 0 H ARG A 111 8.860 5.069 7.298 1.00 0.00 H new ATOM 0 HA ARG A 111 11.431 5.540 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.650 3.258 6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.090 3.666 5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.155 2.678 3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.460 4.377 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.711 4.239 4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.442 2.788 5.037 1.00 0.00 H new ATOM 0 HE ARG A 111 11.972 2.396 2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.362 2.451 4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.490 1.396 3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.425 1.042 1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 111 14.961 0.602 1.828 1.00 0.00 H new ATOM 1675 N ALA A 112 8.573 6.222 4.480 1.00 0.00 N ATOM 1676 CA ALA A 112 7.977 7.046 3.436 1.00 0.00 C ATOM 1677 C ALA A 112 8.612 8.432 3.400 1.00 0.00 C ATOM 1678 O ALA A 112 8.895 8.969 2.328 1.00 0.00 O ATOM 1679 CB ALA A 112 6.474 7.157 3.645 1.00 0.00 C ATOM 0 H ALA A 112 7.913 5.619 4.970 1.00 0.00 H new ATOM 0 HA ALA A 112 8.165 6.565 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.042 7.775 2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.028 6.163 3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.274 7.612 4.615 1.00 0.00 H new ATOM 1685 N LEU A 113 8.833 9.007 4.576 1.00 0.00 N ATOM 1686 CA LEU A 113 9.434 10.332 4.680 1.00 0.00 C ATOM 1687 C LEU A 113 10.799 10.365 3.998 1.00 0.00 C ATOM 1688 O LEU A 113 11.092 11.271 3.218 1.00 0.00 O ATOM 1689 CB LEU A 113 9.575 10.737 6.148 1.00 0.00 C ATOM 1690 CG LEU A 113 8.275 11.076 6.878 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.515 11.177 8.376 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.684 12.372 6.342 1.00 0.00 C ATOM 0 H LEU A 113 8.605 8.576 5.472 1.00 0.00 H new ATOM 0 HA LEU A 113 8.778 11.042 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.067 9.925 6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.236 11.602 6.204 1.00 0.00 H new ATOM 0 HG LEU A 113 7.560 10.273 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.579 11.419 8.879 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.892 10.225 8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.247 11.960 8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.759 12.597 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.395 13.185 6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.474 12.263 5.278 1.00 0.00 H new ATOM 1704 N ASP A 114 11.628 9.371 4.297 1.00 0.00 N ATOM 1705 CA ASP A 114 12.960 9.284 3.711 1.00 0.00 C ATOM 1706 C ASP A 114 12.914 9.569 2.213 1.00 0.00 C ATOM 1707 O ASP A 114 13.722 10.338 1.691 1.00 0.00 O ATOM 1708 CB ASP A 114 13.562 7.901 3.961 1.00 0.00 C ATOM 1709 CG ASP A 114 15.075 7.934 4.046 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.718 8.286 3.035 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.617 7.608 5.123 1.00 0.00 O ATOM 0 H ASP A 114 11.401 8.614 4.942 1.00 0.00 H new ATOM 0 HA ASP A 114 13.589 10.036 4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.158 7.494 4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 114 13.261 7.227 3.159 1.00 0.00 H new ATOM 1716 N LEU A 115 11.966 8.942 1.525 1.00 0.00 N ATOM 1717 CA LEU A 115 11.815 9.127 0.086 1.00 0.00 C ATOM 1718 C LEU A 115 11.239 10.504 -0.229 1.00 0.00 C ATOM 1719 O LEU A 115 11.734 11.209 -1.109 1.00 0.00 O ATOM 1720 CB LEU A 115 10.911 8.039 -0.495 1.00 0.00 C ATOM 1721 CG LEU A 115 11.236 6.603 -0.081 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.080 5.675 -0.419 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.516 6.131 -0.754 1.00 0.00 C ATOM 0 H LEU A 115 11.290 8.301 1.941 1.00 0.00 H new ATOM 0 HA LEU A 115 12.802 9.054 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.883 8.256 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.955 8.101 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 115 11.388 6.582 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.330 4.658 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.185 6.001 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.896 5.700 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.732 5.107 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.393 6.168 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.342 6.779 -0.461 1.00 0.00 H new ATOM 1735 N PHE A 116 10.193 10.883 0.498 1.00 0.00 N ATOM 1736 CA PHE A 116 9.551 12.177 0.297 1.00 0.00 C ATOM 1737 C PHE A 116 10.588 13.263 0.029 1.00 0.00 C ATOM 1738 O PHE A 116 10.530 13.955 -0.987 1.00 0.00 O ATOM 1739 CB PHE A 116 8.711 12.548 1.521 1.00 0.00 C ATOM 1740 CG PHE A 116 8.179 13.952 1.479 1.00 0.00 C ATOM 1741 CD1 PHE A 116 7.155 14.293 0.609 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.701 14.931 2.309 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.664 15.584 0.567 1.00 0.00 C ATOM 1744 CE2 PHE A 116 8.213 16.224 2.272 1.00 0.00 C ATOM 1745 CZ PHE A 116 7.192 16.550 1.401 1.00 0.00 C ATOM 0 H PHE A 116 9.772 10.313 1.231 1.00 0.00 H new ATOM 0 HA PHE A 116 8.899 12.100 -0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.875 11.853 1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 116 9.317 12.424 2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.736 13.541 -0.043 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.499 14.681 2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.868 15.837 -0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.630 16.978 2.923 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.807 17.559 1.372 1.00 0.00 H new ATOM 1755 N SER A 117 11.537 13.407 0.949 1.00 0.00 N ATOM 1756 CA SER A 117 12.585 14.412 0.815 1.00 0.00 C ATOM 1757 C SER A 117 13.303 14.273 -0.524 1.00 0.00 C ATOM 1758 O SER A 117 13.610 15.267 -1.182 1.00 0.00 O ATOM 1759 CB SER A 117 13.591 14.285 1.961 1.00 0.00 C ATOM 1760 OG SER A 117 14.414 13.143 1.794 1.00 0.00 O ATOM 0 H SER A 117 11.601 12.841 1.795 1.00 0.00 H new ATOM 0 HA SER A 117 12.118 15.396 0.857 1.00 0.00 H new ATOM 0 HB2 SER A 117 14.211 15.180 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.059 14.218 2.910 1.00 0.00 H new ATOM 0 HG SER A 117 13.857 12.336 1.790 1.00 0.00 H new ATOM 1766 N ASP A 118 13.567 13.033 -0.921 1.00 0.00 N ATOM 1767 CA ASP A 118 14.247 12.762 -2.182 1.00 0.00 C ATOM 1768 C ASP A 118 13.466 13.342 -3.357 1.00 0.00 C ATOM 1769 O ASP A 118 13.942 14.241 -4.049 1.00 0.00 O ATOM 1770 CB ASP A 118 14.434 11.256 -2.372 1.00 0.00 C ATOM 1771 CG ASP A 118 15.126 10.605 -1.191 1.00 0.00 C ATOM 1772 OD1 ASP A 118 15.650 11.343 -0.330 1.00 0.00 O ATOM 1773 OD2 ASP A 118 15.144 9.358 -1.127 1.00 0.00 O ATOM 0 H ASP A 118 13.320 12.199 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 118 15.226 13.241 -2.148 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.461 10.788 -2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.017 11.076 -3.275 1.00 0.00 H new ATOM 1778 N ASN A 119 12.262 12.822 -3.576 1.00 0.00 N ATOM 1779 CA ASN A 119 11.415 13.287 -4.668 1.00 0.00 C ATOM 1780 C ASN A 119 10.805 14.646 -4.341 1.00 0.00 C ATOM 1781 O ASN A 119 11.227 15.672 -4.875 1.00 0.00 O ATOM 1782 CB ASN A 119 10.306 12.271 -4.948 1.00 0.00 C ATOM 1783 CG ASN A 119 10.844 10.965 -5.500 1.00 0.00 C ATOM 1784 OD1 ASN A 119 11.565 10.950 -6.497 1.00 0.00 O ATOM 1785 ND2 ASN A 119 10.494 9.860 -4.851 1.00 0.00 N ATOM 0 H ASN A 119 11.851 12.078 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 119 12.035 13.392 -5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.756 12.074 -4.027 1.00 0.00 H new ATOM 0 HB3 ASN A 119 9.597 12.698 -5.658 1.00 0.00 H new ATOM 0 HD21 ASN A 119 10.825 8.951 -5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 119 9.894 9.920 -4.028 1.00 0.00 H new ATOM 1792 N ALA A 120 9.809 14.646 -3.461 1.00 0.00 N ATOM 1793 CA ALA A 120 9.143 15.879 -3.061 1.00 0.00 C ATOM 1794 C ALA A 120 10.078 16.772 -2.253 1.00 0.00 C ATOM 1795 O ALA A 120 11.018 16.305 -1.608 1.00 0.00 O ATOM 1796 CB ALA A 120 7.888 15.564 -2.260 1.00 0.00 C ATOM 0 H ALA A 120 9.446 13.806 -3.012 1.00 0.00 H new ATOM 0 HA ALA A 120 8.859 16.419 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 120 7.400 16.494 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.206 14.973 -2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 120 8.158 15.000 -1.367 1.00 0.00 H new ATOM 1802 N PRO A 121 9.818 18.087 -2.287 1.00 0.00 N ATOM 1803 CA PRO A 121 10.626 19.073 -1.563 1.00 0.00 C ATOM 1804 C PRO A 121 10.442 18.976 -0.052 1.00 0.00 C ATOM 1805 O PRO A 121 9.406 18.533 0.445 1.00 0.00 O ATOM 1806 CB PRO A 121 10.098 20.413 -2.080 1.00 0.00 C ATOM 1807 CG PRO A 121 8.704 20.127 -2.521 1.00 0.00 C ATOM 1808 CD PRO A 121 8.714 18.713 -3.034 1.00 0.00 C ATOM 0 HA PRO A 121 11.693 18.927 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 121 10.118 21.174 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 121 10.705 20.786 -2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 121 8.003 20.237 -1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 121 8.390 20.822 -3.300 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.765 18.210 -2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 121 8.885 18.677 -4.110 1.00 0.00 H new ATOM 1816 N PRO A 122 11.471 19.399 0.698 1.00 0.00 N ATOM 1817 CA PRO A 122 11.446 19.371 2.164 1.00 0.00 C ATOM 1818 C PRO A 122 10.473 20.390 2.747 1.00 0.00 C ATOM 1819 O PRO A 122 10.164 21.411 2.132 1.00 0.00 O ATOM 1820 CB PRO A 122 12.884 19.723 2.550 1.00 0.00 C ATOM 1821 CG PRO A 122 13.406 20.506 1.395 1.00 0.00 C ATOM 1822 CD PRO A 122 12.736 19.939 0.174 1.00 0.00 C ATOM 0 HA PRO A 122 11.111 18.407 2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 122 12.915 20.306 3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 122 13.479 18.826 2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 122 13.179 21.566 1.508 1.00 0.00 H new ATOM 0 HG3 PRO A 122 14.490 20.418 1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 122 12.563 20.705 -0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 122 13.342 19.162 -0.292 1.00 0.00 H new ATOM 1830 N PRO A 123 9.979 20.110 3.962 1.00 0.00 N ATOM 1831 CA PRO A 123 9.034 20.991 4.655 1.00 0.00 C ATOM 1832 C PRO A 123 9.685 22.292 5.112 1.00 0.00 C ATOM 1833 O PRO A 123 10.872 22.517 4.882 1.00 0.00 O ATOM 1834 CB PRO A 123 8.594 20.160 5.863 1.00 0.00 C ATOM 1835 CG PRO A 123 9.722 19.218 6.105 1.00 0.00 C ATOM 1836 CD PRO A 123 10.304 18.911 4.753 1.00 0.00 C ATOM 0 HA PRO A 123 8.211 21.296 4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 123 8.412 20.791 6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 123 7.667 19.624 5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 123 10.470 19.665 6.759 1.00 0.00 H new ATOM 0 HG3 PRO A 123 9.373 18.309 6.595 1.00 0.00 H new ATOM 0 HD2 PRO A 123 11.380 18.745 4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 123 9.864 18.013 4.320 1.00 0.00 H new ATOM 1844 N GLU A 124 8.898 23.146 5.761 1.00 0.00 N ATOM 1845 CA GLU A 124 9.399 24.425 6.249 1.00 0.00 C ATOM 1846 C GLU A 124 10.394 25.032 5.264 1.00 0.00 C ATOM 1847 O GLU A 124 11.511 25.395 5.636 1.00 0.00 O ATOM 1848 CB GLU A 124 10.062 24.249 7.617 1.00 0.00 C ATOM 1849 CG GLU A 124 11.121 23.160 7.645 1.00 0.00 C ATOM 1850 CD GLU A 124 11.975 23.207 8.897 1.00 0.00 C ATOM 1851 OE1 GLU A 124 12.202 24.319 9.419 1.00 0.00 O ATOM 1852 OE2 GLU A 124 12.415 22.132 9.356 1.00 0.00 O ATOM 0 H GLU A 124 7.912 22.975 5.960 1.00 0.00 H new ATOM 0 HA GLU A 124 8.552 25.104 6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.517 25.194 7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.295 24.017 8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.637 22.186 7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 124 11.762 23.259 6.769 1.00 0.00 H new ATOM 1859 N LEU A 125 9.980 25.140 4.006 1.00 0.00 N ATOM 1860 CA LEU A 125 10.834 25.702 2.966 1.00 0.00 C ATOM 1861 C LEU A 125 11.023 27.202 3.168 1.00 0.00 C ATOM 1862 O LEU A 125 10.560 27.769 4.159 1.00 0.00 O ATOM 1863 CB LEU A 125 10.233 25.434 1.585 1.00 0.00 C ATOM 1864 CG LEU A 125 8.767 25.830 1.402 1.00 0.00 C ATOM 1865 CD1 LEU A 125 7.851 24.690 1.818 1.00 0.00 C ATOM 1866 CD2 LEU A 125 8.452 27.088 2.198 1.00 0.00 C ATOM 0 H LEU A 125 9.059 24.846 3.682 1.00 0.00 H new ATOM 0 HA LEU A 125 11.809 25.219 3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.828 25.966 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 125 10.331 24.370 1.369 1.00 0.00 H new ATOM 0 HG LEU A 125 8.595 26.040 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.812 24.990 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.060 23.813 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.024 24.449 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 125 7.405 27.356 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 125 8.640 26.906 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 125 9.085 27.905 1.853 1.00 0.00 H new ATOM 1878 N LEU A 126 11.702 27.841 2.222 1.00 0.00 N ATOM 1879 CA LEU A 126 11.950 29.277 2.295 1.00 0.00 C ATOM 1880 C LEU A 126 11.400 29.987 1.062 1.00 0.00 C ATOM 1881 O LEU A 126 12.049 30.028 0.017 1.00 0.00 O ATOM 1882 CB LEU A 126 13.450 29.549 2.428 1.00 0.00 C ATOM 1883 CG LEU A 126 13.836 30.814 3.196 1.00 0.00 C ATOM 1884 CD1 LEU A 126 12.984 31.991 2.748 1.00 0.00 C ATOM 1885 CD2 LEU A 126 13.697 30.591 4.695 1.00 0.00 C ATOM 0 H LEU A 126 12.091 27.388 1.395 1.00 0.00 H new ATOM 0 HA LEU A 126 11.437 29.666 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 126 13.912 28.693 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 126 13.878 29.610 1.428 1.00 0.00 H new ATOM 0 HG LEU A 126 14.879 31.044 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.273 32.882 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 126 13.135 32.165 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 126 11.933 31.771 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.976 31.501 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 126 12.664 30.336 4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.352 29.776 5.004 1.00 0.00 H new ATOM 1897 N GLU A 127 10.202 30.547 1.194 1.00 0.00 N ATOM 1898 CA GLU A 127 9.566 31.258 0.090 1.00 0.00 C ATOM 1899 C GLU A 127 10.152 32.658 -0.065 1.00 0.00 C ATOM 1900 O GLU A 127 10.456 33.096 -1.175 1.00 0.00 O ATOM 1901 CB GLU A 127 8.055 31.348 0.316 1.00 0.00 C ATOM 1902 CG GLU A 127 7.672 32.085 1.588 1.00 0.00 C ATOM 1903 CD GLU A 127 6.251 31.791 2.028 1.00 0.00 C ATOM 1904 OE1 GLU A 127 5.812 30.632 1.874 1.00 0.00 O ATOM 1905 OE2 GLU A 127 5.579 32.719 2.524 1.00 0.00 O ATOM 0 H GLU A 127 9.652 30.523 2.053 1.00 0.00 H new ATOM 0 HA GLU A 127 9.757 30.700 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 127 7.598 31.851 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 127 7.641 30.340 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.360 31.806 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 127 7.785 33.158 1.430 1.00 0.00 H new ATOM 1912 N SER A 128 10.308 33.356 1.056 1.00 0.00 N ATOM 1913 CA SER A 128 10.854 34.708 1.045 1.00 0.00 C ATOM 1914 C SER A 128 12.019 34.816 0.066 1.00 0.00 C ATOM 1915 O SER A 128 12.974 34.043 0.133 1.00 0.00 O ATOM 1916 CB SER A 128 11.313 35.107 2.448 1.00 0.00 C ATOM 1917 OG SER A 128 11.299 36.514 2.609 1.00 0.00 O ATOM 0 H SER A 128 10.064 33.007 1.983 1.00 0.00 H new ATOM 0 HA SER A 128 10.066 35.388 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 128 10.662 34.646 3.191 1.00 0.00 H new ATOM 0 HB3 SER A 128 12.319 34.728 2.626 1.00 0.00 H new ATOM 0 HG SER A 128 11.595 36.743 3.515 1.00 0.00 H new ATOM 1923 N GLY A 129 11.932 35.781 -0.844 1.00 0.00 N ATOM 1924 CA GLY A 129 12.985 35.973 -1.825 1.00 0.00 C ATOM 1925 C GLY A 129 14.369 35.867 -1.217 1.00 0.00 C ATOM 1926 O GLY A 129 14.630 36.367 -0.123 1.00 0.00 O ATOM 0 H GLY A 129 11.152 36.433 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 129 12.881 35.230 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.870 36.952 -2.290 1.00 0.00 H new ATOM 1930 N PRO A 130 15.285 35.201 -1.936 1.00 0.00 N ATOM 1931 CA PRO A 130 16.666 35.014 -1.480 1.00 0.00 C ATOM 1932 C PRO A 130 17.461 36.316 -1.490 1.00 0.00 C ATOM 1933 O PRO A 130 18.302 36.547 -0.621 1.00 0.00 O ATOM 1934 CB PRO A 130 17.245 34.026 -2.495 1.00 0.00 C ATOM 1935 CG PRO A 130 16.426 34.223 -3.724 1.00 0.00 C ATOM 1936 CD PRO A 130 15.044 34.580 -3.248 1.00 0.00 C ATOM 0 HA PRO A 130 16.710 34.662 -0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 130 18.299 34.226 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 130 17.176 33.000 -2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 130 16.841 35.015 -4.347 1.00 0.00 H new ATOM 0 HG3 PRO A 130 16.408 33.317 -4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 130 14.548 35.268 -3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 130 14.408 33.699 -3.165 1.00 0.00 H new ATOM 1944 N SER A 131 17.189 37.162 -2.478 1.00 0.00 N ATOM 1945 CA SER A 131 17.882 38.439 -2.603 1.00 0.00 C ATOM 1946 C SER A 131 17.113 39.546 -1.888 1.00 0.00 C ATOM 1947 O SER A 131 15.956 39.368 -1.508 1.00 0.00 O ATOM 1948 CB SER A 131 18.066 38.801 -4.078 1.00 0.00 C ATOM 1949 OG SER A 131 16.818 38.881 -4.743 1.00 0.00 O ATOM 0 H SER A 131 16.494 36.986 -3.204 1.00 0.00 H new ATOM 0 HA SER A 131 18.862 38.340 -2.136 1.00 0.00 H new ATOM 0 HB2 SER A 131 18.587 39.755 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 131 18.693 38.053 -4.564 1.00 0.00 H new ATOM 0 HG SER A 131 16.963 39.115 -5.683 1.00 0.00 H new ATOM 1955 N SER A 132 17.766 40.690 -1.709 1.00 0.00 N ATOM 1956 CA SER A 132 17.146 41.826 -1.037 1.00 0.00 C ATOM 1957 C SER A 132 16.460 42.745 -2.043 1.00 0.00 C ATOM 1958 O SER A 132 15.342 43.207 -1.817 1.00 0.00 O ATOM 1959 CB SER A 132 18.194 42.611 -0.245 1.00 0.00 C ATOM 1960 OG SER A 132 18.758 41.815 0.782 1.00 0.00 O ATOM 0 H SER A 132 18.723 40.855 -2.020 1.00 0.00 H new ATOM 0 HA SER A 132 16.393 41.442 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 132 18.981 42.954 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 132 17.736 43.500 0.189 1.00 0.00 H new ATOM 0 HG SER A 132 19.426 42.339 1.272 1.00 0.00 H new ATOM 1966 N GLY A 133 17.138 43.005 -3.157 1.00 0.00 N ATOM 1967 CA GLY A 133 16.579 43.867 -4.182 1.00 0.00 C ATOM 1968 C GLY A 133 16.554 45.324 -3.763 1.00 0.00 C ATOM 1969 O GLY A 133 15.510 45.974 -3.817 1.00 0.00 O ATOM 0 H GLY A 133 18.064 42.634 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.163 43.765 -5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 133 15.565 43.541 -4.413 1.00 0.00 H new TER 1973 GLY A 133