USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 836 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 41 ASN : amide:sc= 1.01 K(o=1.3,f=0.65) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.252 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.248 X(o=-0.09,f=0.035) USER MOD Set 2.2: A 39 THR OG1 : rot -130:sc= 0.158 USER MOD Set 3.1: A 16 SER OG : rot 140:sc= 0.0541 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 171:sc= 0.0178 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 10:sc= 0.645 USER MOD Single : A 27 SER OG : rot -23:sc= 0.108 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 37 ASN : amide:sc= -0.0366 X(o=-0.037,f=-0.46) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= 1.03 (180deg=0.532) USER MOD Single : A 76 THR OG1 : rot 125:sc= 1.33 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 84 THR OG1 : rot 65:sc= 1.25 USER MOD Single : A 89 ASN : amide:sc= 0.29 X(o=0.29,f=0) USER MOD Single : A 92 GLN : amide:sc=-0.00286 X(o=-0.0029,f=0) USER MOD Single : A 94 ASN : amide:sc= 0.887 K(o=0.89,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.510 -0.180 -0.189 1.00 0.00 N ATOM 2 CA ALA A 1 2.230 -0.882 -1.291 1.00 0.00 C ATOM 3 C ALA A 1 1.275 -1.669 -2.211 1.00 0.00 C ATOM 4 O ALA A 1 1.008 -1.219 -3.325 1.00 0.00 O ATOM 5 CB ALA A 1 3.397 -1.749 -0.767 1.00 0.00 C ATOM 0 H1 ALA A 1 2.195 0.334 0.401 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.828 0.493 -0.593 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.005 -0.877 0.395 1.00 0.00 H new ATOM 0 HA ALA A 1 2.678 -0.106 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.891 -2.240 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.114 -1.116 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.011 -2.503 -0.081 1.00 0.00 H new ATOM 13 N VAL A 2 0.744 -2.824 -1.765 1.00 0.00 N ATOM 14 CA VAL A 2 -0.114 -3.743 -2.559 1.00 0.00 C ATOM 15 C VAL A 2 0.555 -4.141 -3.892 1.00 0.00 C ATOM 16 O VAL A 2 0.025 -3.935 -4.985 1.00 0.00 O ATOM 17 CB VAL A 2 -1.570 -3.228 -2.703 1.00 0.00 C ATOM 18 CG1 VAL A 2 -2.524 -4.354 -3.133 1.00 0.00 C ATOM 19 CG2 VAL A 2 -2.126 -2.682 -1.378 1.00 0.00 C ATOM 0 H VAL A 2 0.901 -3.159 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.210 -4.670 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.521 -2.439 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.536 -3.959 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.203 -4.756 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.511 -5.147 -2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.148 -2.333 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.119 -3.472 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.506 -1.853 -1.037 1.00 0.00 H new ATOM 29 N GLU A 3 1.774 -4.677 -3.789 1.00 0.00 N ATOM 30 CA GLU A 3 2.632 -5.067 -4.920 1.00 0.00 C ATOM 31 C GLU A 3 3.401 -6.373 -4.623 1.00 0.00 C ATOM 32 O GLU A 3 3.716 -6.669 -3.466 1.00 0.00 O ATOM 33 CB GLU A 3 3.577 -3.895 -5.242 1.00 0.00 C ATOM 34 CG GLU A 3 4.403 -4.103 -6.516 1.00 0.00 C ATOM 35 CD GLU A 3 5.130 -2.801 -6.905 1.00 0.00 C ATOM 36 OE1 GLU A 3 6.189 -2.490 -6.307 1.00 0.00 O ATOM 37 OE2 GLU A 3 4.645 -2.080 -7.812 1.00 0.00 O ATOM 0 H GLU A 3 2.210 -4.859 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 3 2.016 -5.277 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.989 -2.983 -5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.254 -3.744 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.130 -4.900 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.752 -4.421 -7.331 1.00 0.00 H new ATOM 44 N VAL A 4 3.696 -7.160 -5.668 1.00 0.00 N ATOM 45 CA VAL A 4 4.353 -8.482 -5.590 1.00 0.00 C ATOM 46 C VAL A 4 5.552 -8.528 -6.549 1.00 0.00 C ATOM 47 O VAL A 4 5.564 -7.839 -7.571 1.00 0.00 O ATOM 48 CB VAL A 4 3.325 -9.606 -5.879 1.00 0.00 C ATOM 49 CG1 VAL A 4 3.918 -11.020 -5.783 1.00 0.00 C ATOM 50 CG2 VAL A 4 2.143 -9.557 -4.899 1.00 0.00 C ATOM 0 H VAL A 4 3.478 -6.888 -6.627 1.00 0.00 H new ATOM 0 HA VAL A 4 4.735 -8.645 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 4 3.002 -9.417 -6.903 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.142 -11.755 -5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.727 -11.125 -6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.306 -11.184 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.443 -10.360 -5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.510 -9.680 -3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.636 -8.596 -4.988 1.00 0.00 H new ATOM 60 N GLU A 5 6.557 -9.356 -6.248 1.00 0.00 N ATOM 61 CA GLU A 5 7.786 -9.561 -7.043 1.00 0.00 C ATOM 62 C GLU A 5 7.532 -10.394 -8.325 1.00 0.00 C ATOM 63 O GLU A 5 8.134 -11.447 -8.553 1.00 0.00 O ATOM 64 CB GLU A 5 8.883 -10.174 -6.149 1.00 0.00 C ATOM 65 CG GLU A 5 9.311 -9.254 -4.998 1.00 0.00 C ATOM 66 CD GLU A 5 10.361 -9.952 -4.112 1.00 0.00 C ATOM 67 OE1 GLU A 5 11.564 -9.963 -4.473 1.00 0.00 O ATOM 68 OE2 GLU A 5 9.992 -10.501 -3.043 1.00 0.00 O ATOM 0 H GLU A 5 6.542 -9.931 -5.406 1.00 0.00 H new ATOM 0 HA GLU A 5 8.132 -8.590 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.522 -11.116 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.754 -10.407 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.722 -8.328 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.442 -8.984 -4.398 1.00 0.00 H new ATOM 75 N VAL A 6 6.591 -9.931 -9.155 1.00 0.00 N ATOM 76 CA VAL A 6 6.151 -10.576 -10.403 1.00 0.00 C ATOM 77 C VAL A 6 7.202 -10.489 -11.532 1.00 0.00 C ATOM 78 O VAL A 6 7.543 -11.543 -12.079 1.00 0.00 O ATOM 79 CB VAL A 6 4.761 -10.044 -10.824 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.338 -10.492 -12.229 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.690 -10.534 -9.842 1.00 0.00 C ATOM 0 H VAL A 6 6.093 -9.060 -8.970 1.00 0.00 H new ATOM 0 HA VAL A 6 6.049 -11.643 -10.205 1.00 0.00 H new ATOM 0 HB VAL A 6 4.847 -8.957 -10.820 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.354 -10.084 -12.460 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.062 -10.131 -12.959 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.297 -11.581 -12.267 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.715 -10.154 -10.147 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.670 -11.624 -9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.923 -10.173 -8.840 1.00 0.00 H new ATOM 91 N PRO A 7 7.745 -9.305 -11.903 1.00 0.00 N ATOM 92 CA PRO A 7 8.766 -9.201 -12.949 1.00 0.00 C ATOM 93 C PRO A 7 10.179 -9.559 -12.447 1.00 0.00 C ATOM 94 O PRO A 7 10.440 -9.666 -11.245 1.00 0.00 O ATOM 95 CB PRO A 7 8.696 -7.751 -13.434 1.00 0.00 C ATOM 96 CG PRO A 7 8.360 -7.008 -12.144 1.00 0.00 C ATOM 97 CD PRO A 7 7.389 -7.964 -11.447 1.00 0.00 C ATOM 0 HA PRO A 7 8.573 -9.915 -13.750 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.640 -7.417 -13.864 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.931 -7.611 -14.198 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.249 -6.823 -11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.902 -6.039 -12.343 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.475 -7.885 -10.363 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.357 -7.726 -11.703 1.00 0.00 H new ATOM 105 N GLY A 8 11.105 -9.702 -13.399 1.00 0.00 N ATOM 106 CA GLY A 8 12.537 -9.951 -13.162 1.00 0.00 C ATOM 107 C GLY A 8 13.188 -10.831 -14.238 1.00 0.00 C ATOM 108 O GLY A 8 12.555 -11.757 -14.750 1.00 0.00 O ATOM 0 H GLY A 8 10.875 -9.646 -14.391 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.062 -8.997 -13.117 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.659 -10.428 -12.190 1.00 0.00 H new ATOM 112 N LEU A 9 14.451 -10.541 -14.590 1.00 0.00 N ATOM 113 CA LEU A 9 15.243 -11.323 -15.562 1.00 0.00 C ATOM 114 C LEU A 9 16.745 -11.432 -15.206 1.00 0.00 C ATOM 115 O LEU A 9 17.602 -11.460 -16.090 1.00 0.00 O ATOM 116 CB LEU A 9 14.918 -10.884 -17.013 1.00 0.00 C ATOM 117 CG LEU A 9 15.066 -9.399 -17.405 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.508 -8.923 -17.557 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.376 -9.148 -18.746 1.00 0.00 C ATOM 0 H LEU A 9 14.961 -9.746 -14.204 1.00 0.00 H new ATOM 0 HA LEU A 9 14.927 -12.364 -15.495 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.555 -11.464 -17.681 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.889 -11.176 -17.221 1.00 0.00 H new ATOM 0 HG LEU A 9 14.613 -8.845 -16.582 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.516 -7.869 -17.834 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.036 -9.054 -16.613 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.003 -9.505 -18.334 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.483 -8.098 -19.019 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.835 -9.771 -19.514 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.318 -9.395 -18.663 1.00 0.00 H new ATOM 131 N LEU A 10 17.066 -11.521 -13.904 1.00 0.00 N ATOM 132 CA LEU A 10 18.441 -11.741 -13.425 1.00 0.00 C ATOM 133 C LEU A 10 18.971 -13.082 -13.945 1.00 0.00 C ATOM 134 O LEU A 10 18.549 -14.142 -13.477 1.00 0.00 O ATOM 135 CB LEU A 10 18.505 -11.715 -11.881 1.00 0.00 C ATOM 136 CG LEU A 10 18.513 -10.301 -11.277 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.876 -10.290 -9.888 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.936 -9.764 -11.122 1.00 0.00 C ATOM 0 H LEU A 10 16.379 -11.442 -13.154 1.00 0.00 H new ATOM 0 HA LEU A 10 19.065 -10.933 -13.807 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.651 -12.264 -11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.402 -12.242 -11.556 1.00 0.00 H new ATOM 0 HG LEU A 10 17.946 -9.675 -11.966 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.896 -9.277 -9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.843 -10.632 -9.959 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.433 -10.953 -9.227 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.902 -8.763 -10.692 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.504 -10.422 -10.464 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.418 -9.724 -12.099 1.00 0.00 H new ATOM 150 N THR A 11 19.949 -13.028 -14.848 1.00 0.00 N ATOM 151 CA THR A 11 20.642 -14.211 -15.370 1.00 0.00 C ATOM 152 C THR A 11 22.092 -14.246 -14.894 1.00 0.00 C ATOM 153 O THR A 11 22.785 -13.229 -14.845 1.00 0.00 O ATOM 154 CB THR A 11 20.539 -14.296 -16.902 1.00 0.00 C ATOM 155 OG1 THR A 11 19.181 -14.469 -17.267 1.00 0.00 O ATOM 156 CG2 THR A 11 21.310 -15.481 -17.486 1.00 0.00 C ATOM 0 H THR A 11 20.289 -12.152 -15.244 1.00 0.00 H new ATOM 0 HA THR A 11 20.144 -15.095 -14.971 1.00 0.00 H new ATOM 0 HB THR A 11 20.964 -13.372 -17.294 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.109 -14.522 -18.243 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.200 -15.488 -18.570 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.365 -15.391 -17.229 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.915 -16.410 -17.075 1.00 0.00 H new ATOM 164 N ASP A 12 22.552 -15.445 -14.549 1.00 0.00 N ATOM 165 CA ASP A 12 23.936 -15.794 -14.235 1.00 0.00 C ATOM 166 C ASP A 12 24.831 -15.803 -15.494 1.00 0.00 C ATOM 167 O ASP A 12 25.453 -16.810 -15.841 1.00 0.00 O ATOM 168 CB ASP A 12 23.961 -17.122 -13.455 1.00 0.00 C ATOM 169 CG ASP A 12 23.401 -18.331 -14.235 1.00 0.00 C ATOM 170 OD1 ASP A 12 24.085 -19.382 -14.304 1.00 0.00 O ATOM 171 OD2 ASP A 12 22.245 -18.267 -14.725 1.00 0.00 O ATOM 0 H ASP A 12 21.930 -16.250 -14.476 1.00 0.00 H new ATOM 0 HA ASP A 12 24.366 -15.024 -13.594 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.989 -17.338 -13.163 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.387 -17.000 -12.536 1.00 0.00 H new ATOM 176 N HIS A 13 24.928 -14.658 -16.185 1.00 0.00 N ATOM 177 CA HIS A 13 25.859 -14.433 -17.303 1.00 0.00 C ATOM 178 C HIS A 13 27.280 -14.150 -16.773 1.00 0.00 C ATOM 179 O HIS A 13 27.965 -13.217 -17.199 1.00 0.00 O ATOM 180 CB HIS A 13 25.311 -13.346 -18.254 1.00 0.00 C ATOM 181 CG HIS A 13 24.160 -13.769 -19.138 1.00 0.00 C ATOM 182 ND1 HIS A 13 23.009 -13.012 -19.385 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.122 -14.891 -19.917 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.305 -13.697 -20.303 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.947 -14.831 -20.635 1.00 0.00 N ATOM 0 H HIS A 13 24.349 -13.844 -15.978 1.00 0.00 H new ATOM 0 HA HIS A 13 25.941 -15.339 -17.904 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.991 -12.493 -17.655 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.126 -13.001 -18.890 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.867 -15.672 -19.961 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.358 -13.381 -20.715 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.620 -15.528 -21.304 1.00 0.00 H new ATOM 193 N THR A 14 27.715 -14.949 -15.794 1.00 0.00 N ATOM 194 CA THR A 14 28.959 -14.772 -15.043 1.00 0.00 C ATOM 195 C THR A 14 29.755 -16.083 -14.922 1.00 0.00 C ATOM 196 O THR A 14 29.180 -17.138 -14.647 1.00 0.00 O ATOM 197 CB THR A 14 28.701 -14.137 -13.662 1.00 0.00 C ATOM 198 OG1 THR A 14 27.842 -14.932 -12.880 1.00 0.00 O ATOM 199 CG2 THR A 14 28.040 -12.760 -13.717 1.00 0.00 C ATOM 0 H THR A 14 27.189 -15.769 -15.492 1.00 0.00 H new ATOM 0 HA THR A 14 29.577 -14.078 -15.613 1.00 0.00 H new ATOM 0 HB THR A 14 29.699 -14.051 -13.233 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.813 -14.581 -11.966 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.894 -12.386 -12.704 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.679 -12.072 -14.270 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.074 -12.840 -14.217 1.00 0.00 H new ATOM 207 N VAL A 15 31.079 -16.040 -15.163 1.00 0.00 N ATOM 208 CA VAL A 15 31.954 -17.238 -15.306 1.00 0.00 C ATOM 209 C VAL A 15 33.290 -17.143 -14.536 1.00 0.00 C ATOM 210 O VAL A 15 34.316 -17.690 -14.949 1.00 0.00 O ATOM 211 CB VAL A 15 32.158 -17.633 -16.789 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.818 -18.023 -17.422 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.797 -16.550 -17.667 1.00 0.00 C ATOM 0 H VAL A 15 31.587 -15.162 -15.267 1.00 0.00 H new ATOM 0 HA VAL A 15 31.410 -18.049 -14.823 1.00 0.00 H new ATOM 0 HB VAL A 15 32.856 -18.470 -16.756 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.975 -18.299 -18.465 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.394 -18.870 -16.883 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.131 -17.178 -17.369 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.898 -16.921 -18.687 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.166 -15.661 -17.665 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.782 -16.297 -17.274 1.00 0.00 H new ATOM 223 N SER A 16 33.259 -16.475 -13.380 1.00 0.00 N ATOM 224 CA SER A 16 34.425 -16.177 -12.521 1.00 0.00 C ATOM 225 C SER A 16 34.242 -16.707 -11.094 1.00 0.00 C ATOM 226 O SER A 16 33.127 -16.711 -10.580 1.00 0.00 O ATOM 227 CB SER A 16 34.667 -14.663 -12.524 1.00 0.00 C ATOM 228 OG SER A 16 35.317 -14.240 -11.337 1.00 0.00 O ATOM 0 H SER A 16 32.389 -16.109 -12.995 1.00 0.00 H new ATOM 0 HA SER A 16 35.298 -16.689 -12.926 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.273 -14.392 -13.389 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.715 -14.141 -12.625 1.00 0.00 H new ATOM 0 HG SER A 16 35.988 -13.561 -11.556 1.00 0.00 H new ATOM 234 N SER A 17 35.331 -17.071 -10.408 1.00 0.00 N ATOM 235 CA SER A 17 35.310 -17.554 -9.012 1.00 0.00 C ATOM 236 C SER A 17 34.714 -16.544 -8.013 1.00 0.00 C ATOM 237 O SER A 17 34.153 -16.947 -6.995 1.00 0.00 O ATOM 238 CB SER A 17 36.732 -17.919 -8.564 1.00 0.00 C ATOM 239 OG SER A 17 37.315 -18.857 -9.461 1.00 0.00 O ATOM 0 H SER A 17 36.269 -17.040 -10.808 1.00 0.00 H new ATOM 0 HA SER A 17 34.660 -18.429 -9.007 1.00 0.00 H new ATOM 0 HB2 SER A 17 37.347 -17.020 -8.519 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.706 -18.338 -7.558 1.00 0.00 H new ATOM 0 HG SER A 17 38.222 -19.077 -9.161 1.00 0.00 H new ATOM 245 N ILE A 18 34.799 -15.240 -8.315 1.00 0.00 N ATOM 246 CA ILE A 18 34.076 -14.154 -7.618 1.00 0.00 C ATOM 247 C ILE A 18 32.801 -13.735 -8.366 1.00 0.00 C ATOM 248 O ILE A 18 31.755 -13.569 -7.745 1.00 0.00 O ATOM 249 CB ILE A 18 34.997 -12.938 -7.331 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.086 -12.771 -8.413 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.614 -13.073 -5.931 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.823 -11.444 -8.454 1.00 0.00 C ATOM 0 H ILE A 18 35.389 -14.897 -9.073 1.00 0.00 H new ATOM 0 HA ILE A 18 33.762 -14.555 -6.655 1.00 0.00 H new ATOM 0 HB ILE A 18 34.389 -12.034 -7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.823 -13.563 -8.277 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.623 -12.931 -9.387 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.260 -12.217 -5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.820 -13.108 -5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.201 -13.990 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.558 -11.461 -9.258 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.111 -10.638 -8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.329 -11.280 -7.503 1.00 0.00 H new ATOM 264 N GLY A 19 32.829 -13.591 -9.697 1.00 0.00 N ATOM 265 CA GLY A 19 31.668 -13.094 -10.459 1.00 0.00 C ATOM 266 C GLY A 19 30.455 -14.039 -10.461 1.00 0.00 C ATOM 267 O GLY A 19 29.314 -13.580 -10.498 1.00 0.00 O ATOM 0 H GLY A 19 33.642 -13.811 -10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.363 -12.133 -10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.975 -12.915 -11.489 1.00 0.00 H new ATOM 271 N HIS A 20 30.676 -15.352 -10.345 1.00 0.00 N ATOM 272 CA HIS A 20 29.624 -16.366 -10.160 1.00 0.00 C ATOM 273 C HIS A 20 28.914 -16.214 -8.805 1.00 0.00 C ATOM 274 O HIS A 20 27.698 -16.378 -8.713 1.00 0.00 O ATOM 275 CB HIS A 20 30.253 -17.761 -10.284 1.00 0.00 C ATOM 276 CG HIS A 20 29.279 -18.904 -10.120 1.00 0.00 C ATOM 277 ND1 HIS A 20 28.387 -19.361 -11.094 1.00 0.00 N ATOM 278 CD2 HIS A 20 29.177 -19.703 -9.018 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.769 -20.427 -10.556 1.00 0.00 C ATOM 280 NE2 HIS A 20 28.224 -20.655 -9.310 1.00 0.00 N ATOM 0 H HIS A 20 31.613 -15.753 -10.377 1.00 0.00 H new ATOM 0 HA HIS A 20 28.867 -16.227 -10.932 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.731 -17.845 -11.260 1.00 0.00 H new ATOM 0 HB3 HIS A 20 31.039 -17.859 -9.535 1.00 0.00 H new ATOM 0 HD2 HIS A 20 29.734 -19.608 -8.098 1.00 0.00 H new ATOM 0 HE1 HIS A 20 27.014 -21.017 -11.054 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.917 -21.403 -8.689 1.00 0.00 H new ATOM 288 N ASP A 21 29.652 -15.835 -7.757 1.00 0.00 N ATOM 289 CA ASP A 21 29.092 -15.566 -6.432 1.00 0.00 C ATOM 290 C ASP A 21 28.420 -14.188 -6.359 1.00 0.00 C ATOM 291 O ASP A 21 27.397 -14.065 -5.687 1.00 0.00 O ATOM 292 CB ASP A 21 30.170 -15.740 -5.354 1.00 0.00 C ATOM 293 CG ASP A 21 30.311 -17.220 -4.956 1.00 0.00 C ATOM 294 OD1 ASP A 21 31.058 -17.974 -5.623 1.00 0.00 O ATOM 295 OD2 ASP A 21 29.659 -17.639 -3.969 1.00 0.00 O ATOM 0 H ASP A 21 30.663 -15.706 -7.806 1.00 0.00 H new ATOM 0 HA ASP A 21 28.305 -16.296 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.125 -15.366 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.913 -15.146 -4.477 1.00 0.00 H new ATOM 300 N PHE A 22 28.914 -13.167 -7.082 1.00 0.00 N ATOM 301 CA PHE A 22 28.251 -11.855 -7.164 1.00 0.00 C ATOM 302 C PHE A 22 26.802 -11.992 -7.624 1.00 0.00 C ATOM 303 O PHE A 22 25.932 -11.369 -7.030 1.00 0.00 O ATOM 304 CB PHE A 22 29.008 -10.910 -8.109 1.00 0.00 C ATOM 305 CG PHE A 22 28.436 -9.499 -8.152 1.00 0.00 C ATOM 306 CD1 PHE A 22 27.343 -9.215 -8.991 1.00 0.00 C ATOM 307 CD2 PHE A 22 28.961 -8.474 -7.342 1.00 0.00 C ATOM 308 CE1 PHE A 22 26.782 -7.928 -9.032 1.00 0.00 C ATOM 309 CE2 PHE A 22 28.425 -7.174 -7.404 1.00 0.00 C ATOM 310 CZ PHE A 22 27.336 -6.903 -8.249 1.00 0.00 C ATOM 0 H PHE A 22 29.777 -13.228 -7.622 1.00 0.00 H new ATOM 0 HA PHE A 22 28.258 -11.429 -6.161 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.052 -10.860 -7.799 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.994 -11.329 -9.115 1.00 0.00 H new ATOM 0 HD1 PHE A 22 26.930 -9.997 -9.611 1.00 0.00 H new ATOM 0 HD2 PHE A 22 29.779 -8.686 -6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.929 -7.728 -9.663 1.00 0.00 H new ATOM 0 HE2 PHE A 22 28.851 -6.385 -6.802 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.925 -5.905 -8.296 1.00 0.00 H new ATOM 320 N TYR A 23 26.529 -12.837 -8.625 1.00 0.00 N ATOM 321 CA TYR A 23 25.162 -13.113 -9.085 1.00 0.00 C ATOM 322 C TYR A 23 24.228 -13.492 -7.921 1.00 0.00 C ATOM 323 O TYR A 23 23.195 -12.850 -7.716 1.00 0.00 O ATOM 324 CB TYR A 23 25.178 -14.225 -10.147 1.00 0.00 C ATOM 325 CG TYR A 23 23.786 -14.667 -10.551 1.00 0.00 C ATOM 326 CD1 TYR A 23 23.000 -13.846 -11.378 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.252 -15.861 -10.033 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.665 -14.197 -11.654 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.923 -16.225 -10.320 1.00 0.00 C ATOM 330 CZ TYR A 23 21.122 -15.393 -11.130 1.00 0.00 C ATOM 331 OH TYR A 23 19.841 -15.765 -11.407 1.00 0.00 O ATOM 0 H TYR A 23 27.247 -13.348 -9.138 1.00 0.00 H new ATOM 0 HA TYR A 23 24.770 -12.198 -9.528 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.713 -13.872 -11.029 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.730 -15.082 -9.761 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.420 -12.946 -11.802 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.864 -16.500 -9.413 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.054 -13.551 -12.267 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.516 -17.142 -9.920 1.00 0.00 H new ATOM 0 HH TYR A 23 19.474 -15.181 -12.103 1.00 0.00 H new ATOM 341 N ARG A 24 24.631 -14.495 -7.127 1.00 0.00 N ATOM 342 CA ARG A 24 23.830 -15.045 -6.021 1.00 0.00 C ATOM 343 C ARG A 24 23.735 -14.074 -4.845 1.00 0.00 C ATOM 344 O ARG A 24 22.652 -13.837 -4.317 1.00 0.00 O ATOM 345 CB ARG A 24 24.402 -16.401 -5.569 1.00 0.00 C ATOM 346 CG ARG A 24 24.452 -17.408 -6.728 1.00 0.00 C ATOM 347 CD ARG A 24 24.654 -18.845 -6.237 1.00 0.00 C ATOM 348 NE ARG A 24 24.543 -19.805 -7.355 1.00 0.00 N ATOM 349 CZ ARG A 24 23.447 -20.398 -7.803 1.00 0.00 C ATOM 350 NH1 ARG A 24 22.272 -20.178 -7.282 1.00 0.00 N ATOM 351 NH2 ARG A 24 23.508 -21.233 -8.800 1.00 0.00 N ATOM 0 H ARG A 24 25.535 -14.954 -7.236 1.00 0.00 H new ATOM 0 HA ARG A 24 22.816 -15.197 -6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.405 -16.258 -5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.790 -16.804 -4.762 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.526 -17.348 -7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.263 -17.140 -7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.633 -18.939 -5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 24 23.911 -19.081 -5.475 1.00 0.00 H new ATOM 0 HE ARG A 24 25.411 -20.038 -7.837 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.174 -19.529 -6.501 1.00 0.00 H new ATOM 0 HH12 ARG A 24 21.451 -20.655 -7.656 1.00 0.00 H new ATOM 0 HH21 ARG A 24 24.405 -21.435 -9.242 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.659 -21.685 -9.139 1.00 0.00 H new ATOM 365 N ALA A 25 24.859 -13.464 -4.471 1.00 0.00 N ATOM 366 CA ALA A 25 24.914 -12.481 -3.394 1.00 0.00 C ATOM 367 C ALA A 25 24.095 -11.224 -3.720 1.00 0.00 C ATOM 368 O ALA A 25 23.359 -10.741 -2.867 1.00 0.00 O ATOM 369 CB ALA A 25 26.383 -12.140 -3.124 1.00 0.00 C ATOM 0 H ALA A 25 25.762 -13.640 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 25 24.465 -12.907 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.444 -11.406 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.918 -13.043 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.833 -11.728 -4.027 1.00 0.00 H new ATOM 375 N PHE A 26 24.164 -10.717 -4.953 1.00 0.00 N ATOM 376 CA PHE A 26 23.348 -9.589 -5.394 1.00 0.00 C ATOM 377 C PHE A 26 21.859 -9.951 -5.335 1.00 0.00 C ATOM 378 O PHE A 26 21.088 -9.247 -4.687 1.00 0.00 O ATOM 379 CB PHE A 26 23.801 -9.150 -6.799 1.00 0.00 C ATOM 380 CG PHE A 26 23.020 -7.998 -7.415 1.00 0.00 C ATOM 381 CD1 PHE A 26 21.718 -8.208 -7.913 1.00 0.00 C ATOM 382 CD2 PHE A 26 23.600 -6.718 -7.524 1.00 0.00 C ATOM 383 CE1 PHE A 26 20.996 -7.150 -8.484 1.00 0.00 C ATOM 384 CE2 PHE A 26 22.884 -5.662 -8.121 1.00 0.00 C ATOM 385 CZ PHE A 26 21.578 -5.878 -8.595 1.00 0.00 C ATOM 0 H PHE A 26 24.789 -11.079 -5.673 1.00 0.00 H new ATOM 0 HA PHE A 26 23.486 -8.741 -4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.852 -8.866 -6.749 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.734 -10.009 -7.467 1.00 0.00 H new ATOM 0 HD1 PHE A 26 21.273 -9.191 -7.854 1.00 0.00 H new ATOM 0 HD2 PHE A 26 24.598 -6.546 -7.148 1.00 0.00 H new ATOM 0 HE1 PHE A 26 19.989 -7.315 -8.839 1.00 0.00 H new ATOM 0 HE2 PHE A 26 23.338 -4.687 -8.215 1.00 0.00 H new ATOM 0 HZ PHE A 26 21.024 -5.067 -9.044 1.00 0.00 H new ATOM 395 N SER A 27 21.448 -11.067 -5.946 1.00 0.00 N ATOM 396 CA SER A 27 20.031 -11.458 -6.019 1.00 0.00 C ATOM 397 C SER A 27 19.423 -11.793 -4.645 1.00 0.00 C ATOM 398 O SER A 27 18.233 -11.554 -4.428 1.00 0.00 O ATOM 399 CB SER A 27 19.820 -12.616 -7.001 1.00 0.00 C ATOM 400 OG SER A 27 20.370 -13.828 -6.515 1.00 0.00 O ATOM 0 H SER A 27 22.082 -11.723 -6.402 1.00 0.00 H new ATOM 0 HA SER A 27 19.499 -10.583 -6.392 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.753 -12.748 -7.182 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.278 -12.368 -7.959 1.00 0.00 H new ATOM 0 HG SER A 27 21.070 -13.630 -5.858 1.00 0.00 H new ATOM 406 N ASP A 28 20.234 -12.261 -3.690 1.00 0.00 N ATOM 407 CA ASP A 28 19.834 -12.520 -2.303 1.00 0.00 C ATOM 408 C ASP A 28 19.408 -11.247 -1.542 1.00 0.00 C ATOM 409 O ASP A 28 18.515 -11.329 -0.693 1.00 0.00 O ATOM 410 CB ASP A 28 20.990 -13.208 -1.550 1.00 0.00 C ATOM 411 CG ASP A 28 21.042 -14.744 -1.695 1.00 0.00 C ATOM 412 OD1 ASP A 28 22.122 -15.327 -1.427 1.00 0.00 O ATOM 413 OD2 ASP A 28 20.004 -15.392 -1.976 1.00 0.00 O ATOM 0 H ASP A 28 21.215 -12.476 -3.866 1.00 0.00 H new ATOM 0 HA ASP A 28 18.960 -13.170 -2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.933 -12.793 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.912 -12.961 -0.491 1.00 0.00 H new ATOM 418 N LYS A 29 20.013 -10.082 -1.840 1.00 0.00 N ATOM 419 CA LYS A 29 19.657 -8.778 -1.231 1.00 0.00 C ATOM 420 C LYS A 29 18.997 -7.765 -2.187 1.00 0.00 C ATOM 421 O LYS A 29 18.633 -6.667 -1.762 1.00 0.00 O ATOM 422 CB LYS A 29 20.804 -8.172 -0.381 1.00 0.00 C ATOM 423 CG LYS A 29 22.256 -8.591 -0.691 1.00 0.00 C ATOM 424 CD LYS A 29 22.726 -9.906 -0.036 1.00 0.00 C ATOM 425 CE LYS A 29 22.710 -9.844 1.502 1.00 0.00 C ATOM 426 NZ LYS A 29 23.238 -11.096 2.122 1.00 0.00 N ATOM 0 H LYS A 29 20.772 -10.015 -2.518 1.00 0.00 H new ATOM 0 HA LYS A 29 18.858 -9.022 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.746 -7.087 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.606 -8.415 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.365 -8.685 -1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.922 -7.789 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.085 -10.722 -0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.736 -10.135 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.307 -8.995 1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.690 -9.672 1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.209 -11.010 3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.654 -11.904 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.220 -11.248 1.815 1.00 0.00 H new ATOM 440 N TRP A 30 18.792 -8.124 -3.454 1.00 0.00 N ATOM 441 CA TRP A 30 18.128 -7.281 -4.453 1.00 0.00 C ATOM 442 C TRP A 30 16.669 -6.948 -4.084 1.00 0.00 C ATOM 443 O TRP A 30 15.898 -7.815 -3.662 1.00 0.00 O ATOM 444 CB TRP A 30 18.206 -7.941 -5.835 1.00 0.00 C ATOM 445 CG TRP A 30 17.564 -7.140 -6.923 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.505 -7.526 -7.670 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.882 -5.781 -7.354 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.146 -6.503 -8.527 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.954 -5.399 -8.366 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.851 -4.828 -6.976 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.984 -4.137 -8.973 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.879 -3.551 -7.565 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.950 -3.200 -8.561 1.00 0.00 C ATOM 0 H TRP A 30 19.088 -9.027 -3.824 1.00 0.00 H new ATOM 0 HA TRP A 30 18.661 -6.331 -4.477 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.253 -8.108 -6.089 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.729 -8.920 -5.787 1.00 0.00 H new ATOM 0 HD1 TRP A 30 16.015 -8.486 -7.607 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.378 -6.559 -9.196 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.582 -5.083 -6.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.275 -3.886 -9.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.621 -2.833 -7.249 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.978 -2.217 -9.007 1.00 0.00 H new ATOM 464 N GLU A 31 16.295 -5.679 -4.263 1.00 0.00 N ATOM 465 CA GLU A 31 14.940 -5.143 -4.085 1.00 0.00 C ATOM 466 C GLU A 31 14.803 -3.849 -4.914 1.00 0.00 C ATOM 467 O GLU A 31 15.775 -3.097 -5.042 1.00 0.00 O ATOM 468 CB GLU A 31 14.667 -4.870 -2.588 1.00 0.00 C ATOM 469 CG GLU A 31 13.294 -5.371 -2.123 1.00 0.00 C ATOM 470 CD GLU A 31 12.139 -4.639 -2.829 1.00 0.00 C ATOM 471 OE1 GLU A 31 11.696 -5.107 -3.905 1.00 0.00 O ATOM 472 OE2 GLU A 31 11.680 -3.589 -2.316 1.00 0.00 O ATOM 0 H GLU A 31 16.960 -4.961 -4.550 1.00 0.00 H new ATOM 0 HA GLU A 31 14.205 -5.870 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.443 -5.349 -1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.738 -3.798 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.215 -6.441 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.205 -5.233 -1.045 1.00 0.00 H new ATOM 479 N SER A 32 13.626 -3.580 -5.492 1.00 0.00 N ATOM 480 CA SER A 32 13.419 -2.442 -6.405 1.00 0.00 C ATOM 481 C SER A 32 11.969 -1.940 -6.495 1.00 0.00 C ATOM 482 O SER A 32 11.009 -2.710 -6.429 1.00 0.00 O ATOM 483 CB SER A 32 13.933 -2.782 -7.812 1.00 0.00 C ATOM 484 OG SER A 32 13.391 -3.985 -8.339 1.00 0.00 O ATOM 0 H SER A 32 12.789 -4.143 -5.342 1.00 0.00 H new ATOM 0 HA SER A 32 13.993 -1.624 -5.970 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.694 -1.959 -8.486 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.019 -2.865 -7.783 1.00 0.00 H new ATOM 0 HG SER A 32 13.756 -4.143 -9.235 1.00 0.00 H new ATOM 490 N ASP A 33 11.819 -0.619 -6.683 1.00 0.00 N ATOM 491 CA ASP A 33 10.514 0.039 -6.889 1.00 0.00 C ATOM 492 C ASP A 33 10.053 0.034 -8.364 1.00 0.00 C ATOM 493 O ASP A 33 8.852 0.038 -8.644 1.00 0.00 O ATOM 494 CB ASP A 33 10.592 1.472 -6.347 1.00 0.00 C ATOM 495 CG ASP A 33 9.208 2.146 -6.323 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.388 1.806 -5.435 1.00 0.00 O ATOM 497 OD2 ASP A 33 8.946 3.036 -7.167 1.00 0.00 O ATOM 0 H ASP A 33 12.606 0.030 -6.697 1.00 0.00 H new ATOM 0 HA ASP A 33 9.763 -0.533 -6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.008 1.458 -5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.272 2.059 -6.965 1.00 0.00 H new ATOM 502 N TYR A 34 11.006 -0.003 -9.309 1.00 0.00 N ATOM 503 CA TYR A 34 10.747 -0.140 -10.749 1.00 0.00 C ATOM 504 C TYR A 34 10.481 -1.611 -11.156 1.00 0.00 C ATOM 505 O TYR A 34 10.365 -2.506 -10.316 1.00 0.00 O ATOM 506 CB TYR A 34 11.885 0.532 -11.551 1.00 0.00 C ATOM 507 CG TYR A 34 13.107 -0.328 -11.824 1.00 0.00 C ATOM 508 CD1 TYR A 34 14.027 -0.595 -10.795 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.322 -0.870 -13.108 1.00 0.00 C ATOM 510 CE1 TYR A 34 15.120 -1.453 -11.025 1.00 0.00 C ATOM 511 CE2 TYR A 34 14.413 -1.726 -13.341 1.00 0.00 C ATOM 512 CZ TYR A 34 15.311 -2.027 -12.300 1.00 0.00 C ATOM 513 OH TYR A 34 16.361 -2.857 -12.536 1.00 0.00 O ATOM 0 H TYR A 34 11.999 0.063 -9.087 1.00 0.00 H new ATOM 0 HA TYR A 34 9.824 0.385 -10.996 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.480 0.867 -12.506 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.206 1.423 -11.011 1.00 0.00 H new ATOM 0 HD1 TYR A 34 13.895 -0.140 -9.824 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.647 -0.627 -13.915 1.00 0.00 H new ATOM 0 HE1 TYR A 34 15.812 -1.672 -10.225 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.562 -2.154 -14.321 1.00 0.00 H new ATOM 0 HH TYR A 34 16.336 -3.160 -13.468 1.00 0.00 H new ATOM 523 N THR A 35 10.388 -1.876 -12.463 1.00 0.00 N ATOM 524 CA THR A 35 10.028 -3.182 -13.055 1.00 0.00 C ATOM 525 C THR A 35 11.120 -4.259 -12.907 1.00 0.00 C ATOM 526 O THR A 35 10.898 -5.407 -13.274 1.00 0.00 O ATOM 527 CB THR A 35 9.640 -3.004 -14.541 1.00 0.00 C ATOM 528 OG1 THR A 35 9.115 -1.707 -14.783 1.00 0.00 O ATOM 529 CG2 THR A 35 8.565 -3.997 -14.992 1.00 0.00 C ATOM 0 H THR A 35 10.567 -1.163 -13.171 1.00 0.00 H new ATOM 0 HA THR A 35 9.172 -3.548 -12.488 1.00 0.00 H new ATOM 0 HB THR A 35 10.562 -3.172 -15.098 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.880 -1.621 -15.730 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.331 -3.827 -16.043 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.932 -5.015 -14.862 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.666 -3.857 -14.393 1.00 0.00 H new ATOM 537 N GLY A 36 12.308 -3.938 -12.377 1.00 0.00 N ATOM 538 CA GLY A 36 13.325 -4.933 -11.992 1.00 0.00 C ATOM 539 C GLY A 36 13.924 -5.753 -13.137 1.00 0.00 C ATOM 540 O GLY A 36 14.417 -6.860 -12.924 1.00 0.00 O ATOM 0 H GLY A 36 12.595 -2.975 -12.201 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.135 -4.416 -11.478 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.879 -5.620 -11.273 1.00 0.00 H new ATOM 544 N ASN A 37 13.877 -5.243 -14.368 1.00 0.00 N ATOM 545 CA ASN A 37 14.336 -5.962 -15.562 1.00 0.00 C ATOM 546 C ASN A 37 15.851 -5.818 -15.790 1.00 0.00 C ATOM 547 O ASN A 37 16.296 -5.212 -16.763 1.00 0.00 O ATOM 548 CB ASN A 37 13.513 -5.546 -16.788 1.00 0.00 C ATOM 549 CG ASN A 37 12.018 -5.788 -16.673 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.214 -4.882 -16.814 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.593 -7.012 -16.441 1.00 0.00 N ATOM 0 H ASN A 37 13.516 -4.310 -14.569 1.00 0.00 H new ATOM 0 HA ASN A 37 14.168 -7.026 -15.396 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.680 -4.485 -16.976 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.887 -6.086 -17.658 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.593 -7.201 -16.379 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.264 -7.771 -16.323 1.00 0.00 H new ATOM 558 N LEU A 38 16.643 -6.389 -14.885 1.00 0.00 N ATOM 559 CA LEU A 38 18.113 -6.325 -14.895 1.00 0.00 C ATOM 560 C LEU A 38 18.808 -7.689 -14.960 1.00 0.00 C ATOM 561 O LEU A 38 18.288 -8.675 -14.448 1.00 0.00 O ATOM 562 CB LEU A 38 18.635 -5.490 -13.712 1.00 0.00 C ATOM 563 CG LEU A 38 18.741 -6.206 -12.346 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.303 -5.245 -11.310 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.411 -6.696 -11.785 1.00 0.00 C ATOM 0 H LEU A 38 16.275 -6.926 -14.100 1.00 0.00 H new ATOM 0 HA LEU A 38 18.376 -5.827 -15.828 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.623 -5.110 -13.974 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.982 -4.625 -13.592 1.00 0.00 H new ATOM 0 HG LEU A 38 19.379 -7.070 -12.531 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.377 -5.751 -10.347 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.293 -4.912 -11.622 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.642 -4.383 -11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.579 -7.186 -10.826 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.740 -5.848 -11.647 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.962 -7.405 -12.480 1.00 0.00 H new ATOM 577 N THR A 39 20.016 -7.721 -15.525 1.00 0.00 N ATOM 578 CA THR A 39 20.895 -8.899 -15.564 1.00 0.00 C ATOM 579 C THR A 39 22.353 -8.538 -15.253 1.00 0.00 C ATOM 580 O THR A 39 22.746 -7.371 -15.323 1.00 0.00 O ATOM 581 CB THR A 39 20.751 -9.646 -16.893 1.00 0.00 C ATOM 582 OG1 THR A 39 21.315 -10.923 -16.714 1.00 0.00 O ATOM 583 CG2 THR A 39 21.423 -8.966 -18.081 1.00 0.00 C ATOM 0 H THR A 39 20.425 -6.906 -15.982 1.00 0.00 H new ATOM 0 HA THR A 39 20.575 -9.578 -14.774 1.00 0.00 H new ATOM 0 HB THR A 39 19.689 -9.676 -17.138 1.00 0.00 H new ATOM 0 HG1 THR A 39 21.942 -11.109 -17.444 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.269 -9.566 -18.978 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.989 -7.977 -18.227 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.491 -8.869 -17.888 1.00 0.00 H new ATOM 591 N ILE A 40 23.153 -9.535 -14.870 1.00 0.00 N ATOM 592 CA ILE A 40 24.521 -9.380 -14.350 1.00 0.00 C ATOM 593 C ILE A 40 25.493 -10.085 -15.293 1.00 0.00 C ATOM 594 O ILE A 40 25.356 -11.274 -15.567 1.00 0.00 O ATOM 595 CB ILE A 40 24.622 -9.960 -12.924 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.685 -9.207 -11.952 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.067 -9.925 -12.380 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.459 -9.976 -10.651 1.00 0.00 C ATOM 0 H ILE A 40 22.859 -10.511 -14.914 1.00 0.00 H new ATOM 0 HA ILE A 40 24.776 -8.322 -14.298 1.00 0.00 H new ATOM 0 HB ILE A 40 24.311 -11.003 -12.991 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.111 -8.230 -11.724 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.726 -9.031 -12.439 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.087 -10.344 -11.374 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.715 -10.512 -13.030 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.420 -8.894 -12.351 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.794 -9.406 -10.002 1.00 0.00 H new ATOM 0 HD12 ILE A 40 23.007 -10.943 -10.874 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.414 -10.129 -10.148 1.00 0.00 H new ATOM 610 N ASN A 41 26.508 -9.352 -15.743 1.00 0.00 N ATOM 611 CA ASN A 41 27.506 -9.800 -16.707 1.00 0.00 C ATOM 612 C ASN A 41 28.896 -9.647 -16.070 1.00 0.00 C ATOM 613 O ASN A 41 29.121 -8.667 -15.361 1.00 0.00 O ATOM 614 CB ASN A 41 27.369 -8.960 -17.998 1.00 0.00 C ATOM 615 CG ASN A 41 25.932 -8.752 -18.477 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.414 -9.487 -19.304 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.257 -7.733 -17.979 1.00 0.00 N ATOM 0 H ASN A 41 26.663 -8.393 -15.433 1.00 0.00 H new ATOM 0 HA ASN A 41 27.361 -10.847 -16.972 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.826 -7.985 -17.831 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.936 -9.445 -18.793 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.300 -7.557 -18.284 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.693 -7.121 -17.289 1.00 0.00 H new ATOM 624 N GLU A 42 29.840 -10.558 -16.316 1.00 0.00 N ATOM 625 CA GLU A 42 31.239 -10.357 -15.907 1.00 0.00 C ATOM 626 C GLU A 42 32.256 -10.646 -17.020 1.00 0.00 C ATOM 627 O GLU A 42 31.989 -11.451 -17.919 1.00 0.00 O ATOM 628 CB GLU A 42 31.542 -11.124 -14.606 1.00 0.00 C ATOM 629 CG GLU A 42 31.779 -12.622 -14.788 1.00 0.00 C ATOM 630 CD GLU A 42 33.221 -13.045 -15.089 1.00 0.00 C ATOM 631 OE1 GLU A 42 34.174 -12.289 -14.809 1.00 0.00 O ATOM 632 OE2 GLU A 42 33.357 -14.192 -15.565 1.00 0.00 O ATOM 0 H GLU A 42 29.666 -11.441 -16.795 1.00 0.00 H new ATOM 0 HA GLU A 42 31.357 -9.293 -15.702 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.423 -10.685 -14.138 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.711 -10.983 -13.915 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.454 -13.133 -13.882 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.142 -12.974 -15.599 1.00 0.00 H new ATOM 639 N ARG A 43 33.428 -10.001 -16.944 1.00 0.00 N ATOM 640 CA ARG A 43 34.595 -10.304 -17.782 1.00 0.00 C ATOM 641 C ARG A 43 35.770 -10.761 -16.905 1.00 0.00 C ATOM 642 O ARG A 43 36.264 -9.948 -16.114 1.00 0.00 O ATOM 643 CB ARG A 43 34.952 -9.105 -18.673 1.00 0.00 C ATOM 644 CG ARG A 43 36.035 -9.466 -19.706 1.00 0.00 C ATOM 645 CD ARG A 43 36.357 -8.293 -20.639 1.00 0.00 C ATOM 646 NE ARG A 43 35.218 -7.978 -21.529 1.00 0.00 N ATOM 647 CZ ARG A 43 34.623 -6.811 -21.714 1.00 0.00 C ATOM 648 NH1 ARG A 43 34.991 -5.729 -21.088 1.00 0.00 N ATOM 649 NH2 ARG A 43 33.628 -6.711 -22.548 1.00 0.00 N ATOM 0 H ARG A 43 33.594 -9.240 -16.286 1.00 0.00 H new ATOM 0 HA ARG A 43 34.353 -11.128 -18.453 1.00 0.00 H new ATOM 0 HB2 ARG A 43 34.058 -8.757 -19.190 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.302 -8.281 -18.051 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.942 -9.775 -19.186 1.00 0.00 H new ATOM 0 HG3 ARG A 43 35.701 -10.318 -20.298 1.00 0.00 H new ATOM 0 HD2 ARG A 43 36.610 -7.414 -20.046 1.00 0.00 H new ATOM 0 HD3 ARG A 43 37.233 -8.535 -21.240 1.00 0.00 H new ATOM 0 HE ARG A 43 34.844 -8.759 -22.068 1.00 0.00 H new ATOM 0 HH11 ARG A 43 35.766 -5.762 -20.425 1.00 0.00 H new ATOM 0 HH12 ARG A 43 34.504 -4.849 -21.261 1.00 0.00 H new ATOM 0 HH21 ARG A 43 33.307 -7.533 -23.059 1.00 0.00 H new ATOM 0 HH22 ARG A 43 33.170 -5.811 -22.690 1.00 0.00 H new ATOM 663 N PRO A 44 36.240 -12.013 -17.059 1.00 0.00 N ATOM 664 CA PRO A 44 37.308 -12.569 -16.241 1.00 0.00 C ATOM 665 C PRO A 44 38.671 -12.074 -16.747 1.00 0.00 C ATOM 666 O PRO A 44 39.009 -12.227 -17.925 1.00 0.00 O ATOM 667 CB PRO A 44 37.123 -14.087 -16.339 1.00 0.00 C ATOM 668 CG PRO A 44 36.538 -14.285 -17.735 1.00 0.00 C ATOM 669 CD PRO A 44 35.673 -13.044 -17.919 1.00 0.00 C ATOM 0 HA PRO A 44 37.272 -12.256 -15.197 1.00 0.00 H new ATOM 0 HB2 PRO A 44 38.069 -14.615 -16.222 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.452 -14.460 -15.566 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.317 -14.351 -18.494 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.950 -15.201 -17.801 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.672 -12.723 -18.961 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.637 -13.249 -17.648 1.00 0.00 H new ATOM 677 N SER A 45 39.457 -11.481 -15.846 1.00 0.00 N ATOM 678 CA SER A 45 40.702 -10.772 -16.160 1.00 0.00 C ATOM 679 C SER A 45 41.749 -11.068 -15.086 1.00 0.00 C ATOM 680 O SER A 45 41.862 -10.350 -14.091 1.00 0.00 O ATOM 681 CB SER A 45 40.429 -9.261 -16.270 1.00 0.00 C ATOM 682 OG SER A 45 39.581 -8.974 -17.375 1.00 0.00 O ATOM 0 H SER A 45 39.240 -11.480 -14.849 1.00 0.00 H new ATOM 0 HA SER A 45 41.089 -11.117 -17.119 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.966 -8.904 -15.350 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.372 -8.725 -16.382 1.00 0.00 H new ATOM 0 HG SER A 45 39.421 -8.008 -17.423 1.00 0.00 H new ATOM 688 N ALA A 46 42.535 -12.132 -15.281 1.00 0.00 N ATOM 689 CA ALA A 46 43.422 -12.712 -14.261 1.00 0.00 C ATOM 690 C ALA A 46 44.552 -11.786 -13.757 1.00 0.00 C ATOM 691 O ALA A 46 45.166 -12.062 -12.723 1.00 0.00 O ATOM 692 CB ALA A 46 43.971 -14.035 -14.810 1.00 0.00 C ATOM 0 H ALA A 46 42.575 -12.627 -16.172 1.00 0.00 H new ATOM 0 HA ALA A 46 42.822 -12.874 -13.366 1.00 0.00 H new ATOM 0 HB1 ALA A 46 44.634 -14.488 -14.072 1.00 0.00 H new ATOM 0 HB2 ALA A 46 43.144 -14.713 -15.020 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.526 -13.845 -15.729 1.00 0.00 H new ATOM 698 N ARG A 47 44.769 -10.646 -14.429 1.00 0.00 N ATOM 699 CA ARG A 47 45.569 -9.508 -13.933 1.00 0.00 C ATOM 700 C ARG A 47 45.107 -8.973 -12.564 1.00 0.00 C ATOM 701 O ARG A 47 45.931 -8.433 -11.825 1.00 0.00 O ATOM 702 CB ARG A 47 45.573 -8.386 -14.995 1.00 0.00 C ATOM 703 CG ARG A 47 44.180 -7.776 -15.257 1.00 0.00 C ATOM 704 CD ARG A 47 44.171 -6.783 -16.428 1.00 0.00 C ATOM 705 NE ARG A 47 44.911 -5.540 -16.119 1.00 0.00 N ATOM 706 CZ ARG A 47 45.077 -4.504 -16.925 1.00 0.00 C ATOM 707 NH1 ARG A 47 44.591 -4.480 -18.135 1.00 0.00 N ATOM 708 NH2 ARG A 47 45.741 -3.457 -16.527 1.00 0.00 N ATOM 0 H ARG A 47 44.384 -10.482 -15.359 1.00 0.00 H new ATOM 0 HA ARG A 47 46.583 -9.874 -13.770 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.251 -7.596 -14.673 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.967 -8.784 -15.930 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.471 -8.578 -15.462 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.836 -7.269 -14.355 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.612 -7.256 -17.306 1.00 0.00 H new ATOM 0 HD3 ARG A 47 43.141 -6.535 -16.683 1.00 0.00 H new ATOM 0 HE ARG A 47 45.335 -5.475 -15.194 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.063 -5.278 -18.488 1.00 0.00 H new ATOM 0 HH12 ARG A 47 44.739 -3.663 -18.728 1.00 0.00 H new ATOM 0 HH21 ARG A 47 46.138 -3.431 -15.588 1.00 0.00 H new ATOM 0 HH22 ARG A 47 45.864 -2.662 -17.155 1.00 0.00 H new ATOM 722 N ALA A 48 43.813 -9.107 -12.237 1.00 0.00 N ATOM 723 CA ALA A 48 43.220 -8.562 -11.010 1.00 0.00 C ATOM 724 C ALA A 48 41.970 -9.298 -10.467 1.00 0.00 C ATOM 725 O ALA A 48 41.743 -9.259 -9.259 1.00 0.00 O ATOM 726 CB ALA A 48 42.890 -7.089 -11.287 1.00 0.00 C ATOM 0 H ALA A 48 43.143 -9.603 -12.825 1.00 0.00 H new ATOM 0 HA ALA A 48 43.956 -8.697 -10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.445 -6.642 -10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.804 -6.553 -11.544 1.00 0.00 H new ATOM 0 HB3 ALA A 48 42.186 -7.024 -12.117 1.00 0.00 H new ATOM 732 N GLY A 49 41.149 -9.948 -11.307 1.00 0.00 N ATOM 733 CA GLY A 49 39.884 -10.580 -10.889 1.00 0.00 C ATOM 734 C GLY A 49 38.824 -10.576 -11.995 1.00 0.00 C ATOM 735 O GLY A 49 39.011 -11.225 -13.025 1.00 0.00 O ATOM 0 H GLY A 49 41.344 -10.051 -12.303 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.080 -11.608 -10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.493 -10.057 -10.016 1.00 0.00 H new ATOM 739 N SER A 50 37.718 -9.855 -11.795 1.00 0.00 N ATOM 740 CA SER A 50 36.639 -9.705 -12.786 1.00 0.00 C ATOM 741 C SER A 50 36.114 -8.271 -12.897 1.00 0.00 C ATOM 742 O SER A 50 35.975 -7.558 -11.901 1.00 0.00 O ATOM 743 CB SER A 50 35.464 -10.650 -12.499 1.00 0.00 C ATOM 744 OG SER A 50 35.014 -10.563 -11.159 1.00 0.00 O ATOM 0 H SER A 50 37.540 -9.349 -10.927 1.00 0.00 H new ATOM 0 HA SER A 50 37.094 -9.970 -13.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.640 -10.414 -13.172 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.766 -11.675 -12.712 1.00 0.00 H new ATOM 0 HG SER A 50 34.265 -11.181 -11.025 1.00 0.00 H new ATOM 750 N TRP A 51 35.739 -7.863 -14.113 1.00 0.00 N ATOM 751 CA TRP A 51 34.819 -6.739 -14.298 1.00 0.00 C ATOM 752 C TRP A 51 33.399 -7.242 -14.079 1.00 0.00 C ATOM 753 O TRP A 51 33.041 -8.254 -14.668 1.00 0.00 O ATOM 754 CB TRP A 51 34.948 -6.149 -15.708 1.00 0.00 C ATOM 755 CG TRP A 51 35.800 -4.930 -15.811 1.00 0.00 C ATOM 756 CD1 TRP A 51 37.048 -4.877 -16.325 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.469 -3.566 -15.408 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.519 -3.580 -16.258 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.581 -2.726 -15.714 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.338 -2.958 -14.817 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.573 -1.348 -15.449 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.324 -1.576 -14.545 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.432 -0.772 -14.864 1.00 0.00 C ATOM 0 H TRP A 51 36.058 -8.293 -14.981 1.00 0.00 H new ATOM 0 HA TRP A 51 35.062 -5.953 -13.583 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.355 -6.914 -16.369 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.951 -5.908 -16.076 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.593 -5.718 -16.726 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.445 -3.290 -16.572 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.475 -3.560 -14.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.431 -0.739 -15.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.454 -1.130 -14.087 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.407 0.288 -14.660 1.00 0.00 H new ATOM 774 N ILE A 52 32.585 -6.532 -13.302 1.00 0.00 N ATOM 775 CA ILE A 52 31.141 -6.757 -13.162 1.00 0.00 C ATOM 776 C ILE A 52 30.392 -5.610 -13.829 1.00 0.00 C ATOM 777 O ILE A 52 30.679 -4.447 -13.550 1.00 0.00 O ATOM 778 CB ILE A 52 30.737 -6.881 -11.676 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.532 -7.961 -10.918 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.228 -7.159 -11.543 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.428 -9.368 -11.515 1.00 0.00 C ATOM 0 H ILE A 52 32.920 -5.756 -12.731 1.00 0.00 H new ATOM 0 HA ILE A 52 30.879 -7.696 -13.650 1.00 0.00 H new ATOM 0 HB ILE A 52 30.979 -5.922 -11.217 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.582 -7.669 -10.891 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.184 -7.992 -9.886 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.965 -7.243 -10.489 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.666 -6.341 -11.993 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.983 -8.091 -12.053 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.019 -10.062 -10.917 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.386 -9.687 -11.516 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.806 -9.358 -12.537 1.00 0.00 H new ATOM 793 N THR A 53 29.401 -5.937 -14.656 1.00 0.00 N ATOM 794 CA THR A 53 28.602 -4.976 -15.428 1.00 0.00 C ATOM 795 C THR A 53 27.133 -5.380 -15.362 1.00 0.00 C ATOM 796 O THR A 53 26.751 -6.446 -15.846 1.00 0.00 O ATOM 797 CB THR A 53 29.098 -4.919 -16.885 1.00 0.00 C ATOM 798 OG1 THR A 53 30.468 -4.572 -16.907 1.00 0.00 O ATOM 799 CG2 THR A 53 28.375 -3.857 -17.712 1.00 0.00 C ATOM 0 H THR A 53 29.120 -6.905 -14.815 1.00 0.00 H new ATOM 0 HA THR A 53 28.712 -3.979 -15.002 1.00 0.00 H new ATOM 0 HB THR A 53 28.908 -5.905 -17.310 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.782 -4.538 -17.835 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.764 -3.861 -18.730 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.307 -4.075 -17.731 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.537 -2.876 -17.266 1.00 0.00 H new ATOM 807 N ILE A 54 26.292 -4.533 -14.771 1.00 0.00 N ATOM 808 CA ILE A 54 24.844 -4.756 -14.661 1.00 0.00 C ATOM 809 C ILE A 54 24.120 -3.944 -15.733 1.00 0.00 C ATOM 810 O ILE A 54 24.346 -2.741 -15.904 1.00 0.00 O ATOM 811 CB ILE A 54 24.350 -4.562 -13.206 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.823 -4.681 -12.999 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.886 -3.275 -12.566 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.969 -3.492 -13.468 1.00 0.00 C ATOM 0 H ILE A 54 26.598 -3.657 -14.347 1.00 0.00 H new ATOM 0 HA ILE A 54 24.596 -5.797 -14.870 1.00 0.00 H new ATOM 0 HB ILE A 54 24.779 -5.417 -12.684 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.478 -5.574 -13.519 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.635 -4.838 -11.937 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.508 -3.190 -11.547 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.975 -3.304 -12.547 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.556 -2.414 -13.148 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.918 -3.698 -13.268 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.271 -2.593 -12.931 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.112 -3.341 -14.538 1.00 0.00 H new ATOM 826 N THR A 55 23.240 -4.624 -16.466 1.00 0.00 N ATOM 827 CA THR A 55 22.463 -4.061 -17.573 1.00 0.00 C ATOM 828 C THR A 55 20.961 -4.160 -17.293 1.00 0.00 C ATOM 829 O THR A 55 20.485 -5.173 -16.785 1.00 0.00 O ATOM 830 CB THR A 55 22.835 -4.737 -18.906 1.00 0.00 C ATOM 831 OG1 THR A 55 22.806 -6.142 -18.776 1.00 0.00 O ATOM 832 CG2 THR A 55 24.258 -4.411 -19.358 1.00 0.00 C ATOM 0 H THR A 55 23.041 -5.611 -16.303 1.00 0.00 H new ATOM 0 HA THR A 55 22.712 -3.003 -17.660 1.00 0.00 H new ATOM 0 HB THR A 55 22.107 -4.363 -19.626 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.043 -6.555 -19.633 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.464 -4.915 -20.302 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.360 -3.334 -19.491 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.967 -4.752 -18.603 1.00 0.00 H new ATOM 840 N VAL A 56 20.202 -3.109 -17.619 1.00 0.00 N ATOM 841 CA VAL A 56 18.728 -3.077 -17.579 1.00 0.00 C ATOM 842 C VAL A 56 18.207 -3.272 -18.999 1.00 0.00 C ATOM 843 O VAL A 56 18.487 -2.467 -19.883 1.00 0.00 O ATOM 844 CB VAL A 56 18.207 -1.792 -16.894 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.723 -1.505 -17.152 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.369 -1.975 -15.384 1.00 0.00 C ATOM 0 H VAL A 56 20.606 -2.225 -17.929 1.00 0.00 H new ATOM 0 HA VAL A 56 18.345 -3.891 -16.963 1.00 0.00 H new ATOM 0 HB VAL A 56 18.779 -0.960 -17.304 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.435 -0.588 -16.638 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.556 -1.389 -18.223 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.122 -2.334 -16.779 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.010 -1.084 -14.869 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.791 -2.840 -15.058 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.421 -2.132 -15.147 1.00 0.00 H new ATOM 856 N ASN A 57 17.485 -4.373 -19.216 1.00 0.00 N ATOM 857 CA ASN A 57 17.065 -4.942 -20.509 1.00 0.00 C ATOM 858 C ASN A 57 18.233 -5.207 -21.483 1.00 0.00 C ATOM 859 O ASN A 57 18.613 -6.356 -21.705 1.00 0.00 O ATOM 860 CB ASN A 57 15.935 -4.103 -21.141 1.00 0.00 C ATOM 861 CG ASN A 57 14.683 -4.054 -20.281 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.972 -5.035 -20.123 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.382 -2.916 -19.698 1.00 0.00 N ATOM 0 H ASN A 57 17.150 -4.938 -18.435 1.00 0.00 H new ATOM 0 HA ASN A 57 16.661 -5.932 -20.296 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.294 -3.088 -21.309 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.683 -4.518 -22.117 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.551 -2.848 -19.110 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.979 -2.100 -19.833 1.00 0.00 H new ATOM 870 N GLN A 58 18.798 -4.136 -22.049 1.00 0.00 N ATOM 871 CA GLN A 58 19.905 -4.136 -23.015 1.00 0.00 C ATOM 872 C GLN A 58 20.891 -2.959 -22.823 1.00 0.00 C ATOM 873 O GLN A 58 21.777 -2.751 -23.652 1.00 0.00 O ATOM 874 CB GLN A 58 19.320 -4.177 -24.440 1.00 0.00 C ATOM 875 CG GLN A 58 18.396 -2.990 -24.769 1.00 0.00 C ATOM 876 CD GLN A 58 17.975 -2.990 -26.238 1.00 0.00 C ATOM 877 OE1 GLN A 58 16.896 -3.439 -26.607 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.806 -2.502 -27.138 1.00 0.00 N ATOM 0 H GLN A 58 18.478 -3.192 -21.834 1.00 0.00 H new ATOM 0 HA GLN A 58 20.507 -5.028 -22.841 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.140 -4.197 -25.158 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.762 -5.105 -24.567 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.509 -3.033 -24.137 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.908 -2.056 -24.537 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.708 -2.124 -26.848 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.547 -2.502 -28.125 1.00 0.00 H new ATOM 887 N ASP A 59 20.745 -2.179 -21.744 1.00 0.00 N ATOM 888 CA ASP A 59 21.490 -0.935 -21.492 1.00 0.00 C ATOM 889 C ASP A 59 22.316 -1.026 -20.205 1.00 0.00 C ATOM 890 O ASP A 59 21.794 -1.407 -19.160 1.00 0.00 O ATOM 891 CB ASP A 59 20.504 0.240 -21.404 1.00 0.00 C ATOM 892 CG ASP A 59 19.912 0.600 -22.776 1.00 0.00 C ATOM 893 OD1 ASP A 59 18.701 0.363 -23.003 1.00 0.00 O ATOM 894 OD2 ASP A 59 20.656 1.145 -23.628 1.00 0.00 O ATOM 0 H ASP A 59 20.085 -2.402 -20.999 1.00 0.00 H new ATOM 0 HA ASP A 59 22.183 -0.776 -22.318 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.697 -0.015 -20.717 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.013 1.110 -20.989 1.00 0.00 H new ATOM 899 N VAL A 60 23.601 -0.657 -20.243 1.00 0.00 N ATOM 900 CA VAL A 60 24.443 -0.598 -19.031 1.00 0.00 C ATOM 901 C VAL A 60 24.082 0.610 -18.163 1.00 0.00 C ATOM 902 O VAL A 60 23.864 1.711 -18.670 1.00 0.00 O ATOM 903 CB VAL A 60 25.951 -0.672 -19.364 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.457 0.475 -20.247 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.810 -0.719 -18.094 1.00 0.00 C ATOM 0 H VAL A 60 24.087 -0.393 -21.100 1.00 0.00 H new ATOM 0 HA VAL A 60 24.228 -1.486 -18.437 1.00 0.00 H new ATOM 0 HB VAL A 60 26.054 -1.598 -19.930 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.523 0.348 -20.433 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.920 0.468 -21.195 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.288 1.426 -19.741 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.863 -0.771 -18.369 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.633 0.179 -17.502 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.545 -1.599 -17.508 1.00 0.00 H new ATOM 915 N ILE A 61 24.041 0.394 -16.842 1.00 0.00 N ATOM 916 CA ILE A 61 23.775 1.450 -15.849 1.00 0.00 C ATOM 917 C ILE A 61 24.802 1.516 -14.715 1.00 0.00 C ATOM 918 O ILE A 61 25.009 2.591 -14.155 1.00 0.00 O ATOM 919 CB ILE A 61 22.357 1.319 -15.263 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.977 -0.116 -14.853 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.325 1.905 -16.235 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.821 -0.116 -13.852 1.00 0.00 C ATOM 0 H ILE A 61 24.192 -0.525 -16.426 1.00 0.00 H new ATOM 0 HA ILE A 61 23.861 2.386 -16.401 1.00 0.00 H new ATOM 0 HB ILE A 61 22.355 1.894 -14.337 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.696 -0.688 -15.738 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.842 -0.613 -14.414 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.327 1.806 -15.809 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.544 2.959 -16.406 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.370 1.367 -17.182 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.575 -1.143 -13.581 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.114 0.435 -12.958 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.950 0.359 -14.302 1.00 0.00 H new ATOM 934 N PHE A 62 25.459 0.399 -14.382 1.00 0.00 N ATOM 935 CA PHE A 62 26.527 0.371 -13.383 1.00 0.00 C ATOM 936 C PHE A 62 27.537 -0.734 -13.700 1.00 0.00 C ATOM 937 O PHE A 62 27.183 -1.794 -14.218 1.00 0.00 O ATOM 938 CB PHE A 62 25.924 0.237 -11.970 1.00 0.00 C ATOM 939 CG PHE A 62 26.954 -0.010 -10.876 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.111 -1.284 -10.291 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.821 1.034 -10.501 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.142 -1.517 -9.359 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.844 0.802 -9.566 1.00 0.00 C ATOM 944 CZ PHE A 62 29.004 -0.471 -8.996 1.00 0.00 C ATOM 0 H PHE A 62 25.263 -0.511 -14.800 1.00 0.00 H new ATOM 0 HA PHE A 62 27.076 1.312 -13.414 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.371 1.146 -11.735 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.205 -0.583 -11.969 1.00 0.00 H new ATOM 0 HD1 PHE A 62 26.438 -2.085 -10.559 1.00 0.00 H new ATOM 0 HD2 PHE A 62 27.699 2.016 -10.933 1.00 0.00 H new ATOM 0 HE1 PHE A 62 28.268 -2.498 -8.925 1.00 0.00 H new ATOM 0 HE2 PHE A 62 29.509 1.605 -9.285 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.791 -0.645 -8.277 1.00 0.00 H new ATOM 954 N GLN A 63 28.803 -0.475 -13.384 1.00 0.00 N ATOM 955 CA GLN A 63 29.890 -1.445 -13.510 1.00 0.00 C ATOM 956 C GLN A 63 31.044 -1.138 -12.543 1.00 0.00 C ATOM 957 O GLN A 63 31.332 0.024 -12.252 1.00 0.00 O ATOM 958 CB GLN A 63 30.358 -1.539 -14.975 1.00 0.00 C ATOM 959 CG GLN A 63 30.866 -0.228 -15.597 1.00 0.00 C ATOM 960 CD GLN A 63 31.186 -0.399 -17.083 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.589 0.224 -17.951 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.132 -1.245 -17.437 1.00 0.00 N ATOM 0 H GLN A 63 29.109 0.430 -13.027 1.00 0.00 H new ATOM 0 HA GLN A 63 29.509 -2.425 -13.222 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.154 -2.281 -15.036 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.530 -1.909 -15.579 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.113 0.550 -15.473 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.759 0.105 -15.068 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.638 -1.771 -16.725 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.358 -1.374 -18.423 1.00 0.00 H new ATOM 971 N THR A 64 31.706 -2.184 -12.045 1.00 0.00 N ATOM 972 CA THR A 64 32.803 -2.097 -11.064 1.00 0.00 C ATOM 973 C THR A 64 33.744 -3.303 -11.154 1.00 0.00 C ATOM 974 O THR A 64 33.401 -4.322 -11.755 1.00 0.00 O ATOM 975 CB THR A 64 32.228 -1.944 -9.647 1.00 0.00 C ATOM 976 OG1 THR A 64 33.266 -1.649 -8.737 1.00 0.00 O ATOM 977 CG2 THR A 64 31.479 -3.186 -9.148 1.00 0.00 C ATOM 0 H THR A 64 31.492 -3.144 -12.317 1.00 0.00 H new ATOM 0 HA THR A 64 33.399 -1.215 -11.298 1.00 0.00 H new ATOM 0 HB THR A 64 31.506 -1.130 -9.703 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.893 -1.551 -7.836 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.102 -3.004 -8.142 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.644 -3.400 -9.815 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.158 -4.038 -9.132 1.00 0.00 H new ATOM 985 N PHE A 65 34.930 -3.207 -10.555 1.00 0.00 N ATOM 986 CA PHE A 65 35.914 -4.288 -10.518 1.00 0.00 C ATOM 987 C PHE A 65 35.814 -5.088 -9.206 1.00 0.00 C ATOM 988 O PHE A 65 35.800 -4.507 -8.117 1.00 0.00 O ATOM 989 CB PHE A 65 37.318 -3.710 -10.752 1.00 0.00 C ATOM 990 CG PHE A 65 38.196 -4.622 -11.581 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.441 -4.322 -12.934 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.726 -5.797 -11.022 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.202 -5.199 -13.725 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.458 -6.690 -11.823 1.00 0.00 C ATOM 995 CZ PHE A 65 39.694 -6.392 -13.177 1.00 0.00 C ATOM 0 H PHE A 65 35.239 -2.362 -10.074 1.00 0.00 H new ATOM 0 HA PHE A 65 35.705 -4.996 -11.320 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.230 -2.745 -11.251 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.796 -3.529 -9.790 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.043 -3.415 -13.365 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.571 -6.014 -9.976 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.408 -4.954 -14.756 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.840 -7.607 -11.398 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.253 -7.081 -13.793 1.00 0.00 H new ATOM 1005 N LEU A 66 35.761 -6.420 -9.304 1.00 0.00 N ATOM 1006 CA LEU A 66 35.861 -7.353 -8.179 1.00 0.00 C ATOM 1007 C LEU A 66 37.256 -7.992 -8.096 1.00 0.00 C ATOM 1008 O LEU A 66 37.853 -8.350 -9.114 1.00 0.00 O ATOM 1009 CB LEU A 66 34.801 -8.454 -8.296 1.00 0.00 C ATOM 1010 CG LEU A 66 33.397 -8.141 -7.777 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.569 -9.414 -7.953 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.353 -7.805 -6.285 1.00 0.00 C ATOM 0 H LEU A 66 35.643 -6.894 -10.200 1.00 0.00 H new ATOM 0 HA LEU A 66 35.690 -6.780 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.717 -8.730 -9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.168 -9.332 -7.764 1.00 0.00 H new ATOM 0 HG LEU A 66 33.029 -7.276 -8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.554 -9.240 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.540 -9.686 -9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.022 -10.224 -7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.325 -7.595 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.730 -8.651 -5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 66 33.973 -6.930 -6.091 1.00 0.00 H new ATOM 1024 N PHE A 67 37.730 -8.209 -6.866 1.00 0.00 N ATOM 1025 CA PHE A 67 39.051 -8.784 -6.569 1.00 0.00 C ATOM 1026 C PHE A 67 38.931 -10.021 -5.646 1.00 0.00 C ATOM 1027 O PHE A 67 38.263 -9.940 -4.614 1.00 0.00 O ATOM 1028 CB PHE A 67 39.943 -7.702 -5.934 1.00 0.00 C ATOM 1029 CG PHE A 67 40.061 -6.404 -6.718 1.00 0.00 C ATOM 1030 CD1 PHE A 67 39.122 -5.372 -6.516 1.00 0.00 C ATOM 1031 CD2 PHE A 67 41.117 -6.212 -7.629 1.00 0.00 C ATOM 1032 CE1 PHE A 67 39.228 -4.166 -7.230 1.00 0.00 C ATOM 1033 CE2 PHE A 67 41.230 -4.999 -8.333 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.283 -3.979 -8.140 1.00 0.00 C ATOM 0 H PHE A 67 37.195 -7.985 -6.027 1.00 0.00 H new ATOM 0 HA PHE A 67 39.507 -9.124 -7.499 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.554 -7.472 -4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.942 -8.115 -5.797 1.00 0.00 H new ATOM 0 HD1 PHE A 67 38.317 -5.509 -5.809 1.00 0.00 H new ATOM 0 HD2 PHE A 67 41.842 -6.997 -7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 67 38.499 -3.383 -7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 67 42.047 -4.851 -9.024 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.366 -3.053 -8.690 1.00 0.00 H new ATOM 1044 N PRO A 68 39.566 -11.167 -5.980 1.00 0.00 N ATOM 1045 CA PRO A 68 39.400 -12.434 -5.254 1.00 0.00 C ATOM 1046 C PRO A 68 40.243 -12.544 -3.967 1.00 0.00 C ATOM 1047 O PRO A 68 39.829 -13.221 -3.025 1.00 0.00 O ATOM 1048 CB PRO A 68 39.789 -13.516 -6.269 1.00 0.00 C ATOM 1049 CG PRO A 68 40.840 -12.812 -7.124 1.00 0.00 C ATOM 1050 CD PRO A 68 40.307 -11.394 -7.211 1.00 0.00 C ATOM 0 HA PRO A 68 38.376 -12.530 -4.894 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.192 -14.403 -5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.934 -13.840 -6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.826 -12.846 -6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 68 40.934 -13.270 -8.109 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.121 -10.677 -7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.663 -11.272 -8.082 1.00 0.00 H new ATOM 1058 N LEU A 69 41.412 -11.882 -3.905 1.00 0.00 N ATOM 1059 CA LEU A 69 42.293 -11.885 -2.720 1.00 0.00 C ATOM 1060 C LEU A 69 41.850 -10.867 -1.649 1.00 0.00 C ATOM 1061 O LEU A 69 42.225 -10.996 -0.480 1.00 0.00 O ATOM 1062 CB LEU A 69 43.760 -11.627 -3.144 1.00 0.00 C ATOM 1063 CG LEU A 69 44.590 -12.831 -3.638 1.00 0.00 C ATOM 1064 CD1 LEU A 69 44.727 -13.925 -2.578 1.00 0.00 C ATOM 1065 CD2 LEU A 69 44.045 -13.462 -4.918 1.00 0.00 C ATOM 0 H LEU A 69 41.776 -11.326 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 69 42.217 -12.872 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.753 -10.878 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 69 44.282 -11.187 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 69 45.571 -12.406 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 69 45.320 -14.747 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 69 45.221 -13.517 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 69 43.738 -14.291 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 69 44.677 -14.302 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 69 43.028 -13.815 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 69 44.040 -12.720 -5.716 1.00 0.00 H new ATOM 1077 N LYS A 70 41.055 -9.862 -2.041 1.00 0.00 N ATOM 1078 CA LYS A 70 40.513 -8.815 -1.151 1.00 0.00 C ATOM 1079 C LYS A 70 39.157 -9.218 -0.548 1.00 0.00 C ATOM 1080 O LYS A 70 38.479 -10.116 -1.048 1.00 0.00 O ATOM 1081 CB LYS A 70 40.421 -7.470 -1.900 1.00 0.00 C ATOM 1082 CG LYS A 70 41.781 -6.970 -2.417 1.00 0.00 C ATOM 1083 CD LYS A 70 41.643 -5.580 -3.060 1.00 0.00 C ATOM 1084 CE LYS A 70 42.959 -5.068 -3.670 1.00 0.00 C ATOM 1085 NZ LYS A 70 43.971 -4.702 -2.636 1.00 0.00 N ATOM 0 H LYS A 70 40.761 -9.748 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 70 41.203 -8.696 -0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 70 39.736 -7.576 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 70 39.994 -6.719 -1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 70 42.494 -6.926 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 70 42.179 -7.675 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 70 40.880 -5.619 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 70 41.297 -4.871 -2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 70 43.374 -5.836 -4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 70 42.751 -4.198 -4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 44.837 -4.364 -3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 43.589 -3.950 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 44.193 -5.537 -2.057 1.00 0.00 H new ATOM 1099 N ARG A 71 38.752 -8.520 0.522 1.00 0.00 N ATOM 1100 CA ARG A 71 37.499 -8.754 1.280 1.00 0.00 C ATOM 1101 C ARG A 71 36.428 -7.676 1.064 1.00 0.00 C ATOM 1102 O ARG A 71 35.489 -7.564 1.850 1.00 0.00 O ATOM 1103 CB ARG A 71 37.833 -9.025 2.763 1.00 0.00 C ATOM 1104 CG ARG A 71 38.629 -10.333 2.928 1.00 0.00 C ATOM 1105 CD ARG A 71 38.882 -10.684 4.401 1.00 0.00 C ATOM 1106 NE ARG A 71 39.799 -9.727 5.055 1.00 0.00 N ATOM 1107 CZ ARG A 71 41.122 -9.760 5.067 1.00 0.00 C ATOM 1108 NH1 ARG A 71 41.804 -10.679 4.442 1.00 0.00 N ATOM 1109 NH2 ARG A 71 41.794 -8.853 5.717 1.00 0.00 N ATOM 0 H ARG A 71 39.301 -7.749 0.903 1.00 0.00 H new ATOM 0 HA ARG A 71 37.024 -9.648 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 71 38.410 -8.193 3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 71 36.911 -9.083 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 71 38.085 -11.148 2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 71 39.584 -10.242 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 71 37.933 -10.699 4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 71 39.301 -11.688 4.466 1.00 0.00 H new ATOM 0 HE ARG A 71 39.362 -8.952 5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 71 41.318 -11.408 3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 71 42.823 -10.669 4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 71 41.301 -8.115 6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 71 42.814 -8.881 5.724 1.00 0.00 H new ATOM 1123 N ASP A 72 36.529 -6.898 -0.017 1.00 0.00 N ATOM 1124 CA ASP A 72 35.510 -5.906 -0.404 1.00 0.00 C ATOM 1125 C ASP A 72 34.253 -6.520 -1.026 1.00 0.00 C ATOM 1126 O ASP A 72 33.236 -5.839 -1.071 1.00 0.00 O ATOM 1127 CB ASP A 72 36.082 -4.854 -1.363 1.00 0.00 C ATOM 1128 CG ASP A 72 36.308 -5.411 -2.783 1.00 0.00 C ATOM 1129 OD1 ASP A 72 35.400 -5.273 -3.641 1.00 0.00 O ATOM 1130 OD2 ASP A 72 37.386 -6.003 -3.024 1.00 0.00 O ATOM 0 H ASP A 72 37.324 -6.935 -0.656 1.00 0.00 H new ATOM 0 HA ASP A 72 35.214 -5.433 0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.401 -4.004 -1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 72 37.027 -4.482 -0.967 1.00 0.00 H new ATOM 1135 N PHE A 73 34.292 -7.779 -1.484 1.00 0.00 N ATOM 1136 CA PHE A 73 33.225 -8.407 -2.281 1.00 0.00 C ATOM 1137 C PHE A 73 31.818 -8.170 -1.711 1.00 0.00 C ATOM 1138 O PHE A 73 30.935 -7.712 -2.430 1.00 0.00 O ATOM 1139 CB PHE A 73 33.548 -9.906 -2.441 1.00 0.00 C ATOM 1140 CG PHE A 73 32.410 -10.752 -2.984 1.00 0.00 C ATOM 1141 CD1 PHE A 73 32.352 -11.060 -4.355 1.00 0.00 C ATOM 1142 CD2 PHE A 73 31.403 -11.226 -2.118 1.00 0.00 C ATOM 1143 CE1 PHE A 73 31.276 -11.805 -4.868 1.00 0.00 C ATOM 1144 CE2 PHE A 73 30.320 -11.958 -2.630 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.254 -12.238 -4.003 1.00 0.00 C ATOM 0 H PHE A 73 35.080 -8.402 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 73 33.203 -7.932 -3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.406 -10.009 -3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.846 -10.304 -1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 73 33.137 -10.723 -5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 73 31.465 -11.025 -1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 73 31.234 -12.044 -5.920 1.00 0.00 H new ATOM 0 HE2 PHE A 73 29.540 -12.305 -1.969 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.414 -12.789 -4.399 1.00 0.00 H new ATOM 1155 N GLU A 74 31.615 -8.388 -0.406 1.00 0.00 N ATOM 1156 CA GLU A 74 30.308 -8.188 0.244 1.00 0.00 C ATOM 1157 C GLU A 74 29.857 -6.721 0.194 1.00 0.00 C ATOM 1158 O GLU A 74 28.706 -6.412 -0.115 1.00 0.00 O ATOM 1159 CB GLU A 74 30.404 -8.666 1.699 1.00 0.00 C ATOM 1160 CG GLU A 74 29.024 -8.964 2.293 1.00 0.00 C ATOM 1161 CD GLU A 74 29.148 -9.438 3.754 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.046 -10.662 4.013 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.345 -8.588 4.657 1.00 0.00 O ATOM 0 H GLU A 74 32.347 -8.707 0.229 1.00 0.00 H new ATOM 0 HA GLU A 74 29.560 -8.767 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.021 -9.563 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.901 -7.904 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.403 -8.070 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.525 -9.729 1.699 1.00 0.00 H new ATOM 1170 N LYS A 75 30.802 -5.805 0.428 1.00 0.00 N ATOM 1171 CA LYS A 75 30.583 -4.353 0.405 1.00 0.00 C ATOM 1172 C LYS A 75 30.270 -3.876 -1.013 1.00 0.00 C ATOM 1173 O LYS A 75 29.282 -3.180 -1.225 1.00 0.00 O ATOM 1174 CB LYS A 75 31.792 -3.614 1.026 1.00 0.00 C ATOM 1175 CG LYS A 75 32.030 -4.034 2.491 1.00 0.00 C ATOM 1176 CD LYS A 75 33.160 -5.067 2.651 1.00 0.00 C ATOM 1177 CE LYS A 75 33.002 -5.852 3.962 1.00 0.00 C ATOM 1178 NZ LYS A 75 34.216 -6.665 4.266 1.00 0.00 N ATOM 0 H LYS A 75 31.766 -6.058 0.644 1.00 0.00 H new ATOM 0 HA LYS A 75 29.713 -4.115 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.686 -3.822 0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.623 -2.538 0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.269 -3.149 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 75 31.108 -4.449 2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 75 33.151 -5.756 1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 75 34.125 -4.561 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 75 32.813 -5.158 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 75 32.133 -6.507 3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.945 -7.497 4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.657 -6.976 3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 34.893 -6.089 4.805 1.00 0.00 H new ATOM 1192 N THR A 76 31.028 -4.349 -1.999 1.00 0.00 N ATOM 1193 CA THR A 76 30.815 -4.101 -3.434 1.00 0.00 C ATOM 1194 C THR A 76 29.472 -4.660 -3.922 1.00 0.00 C ATOM 1195 O THR A 76 28.774 -3.973 -4.664 1.00 0.00 O ATOM 1196 CB THR A 76 32.009 -4.656 -4.235 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.143 -3.881 -3.915 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.815 -4.574 -5.751 1.00 0.00 C ATOM 0 H THR A 76 31.840 -4.939 -1.820 1.00 0.00 H new ATOM 0 HA THR A 76 30.762 -3.025 -3.599 1.00 0.00 H new ATOM 0 HB THR A 76 32.115 -5.708 -3.969 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.861 -4.468 -3.598 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.693 -4.982 -6.253 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.934 -5.149 -6.037 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.680 -3.533 -6.045 1.00 0.00 H new ATOM 1206 N VAL A 77 29.040 -5.836 -3.447 1.00 0.00 N ATOM 1207 CA VAL A 77 27.694 -6.383 -3.712 1.00 0.00 C ATOM 1208 C VAL A 77 26.619 -5.451 -3.158 1.00 0.00 C ATOM 1209 O VAL A 77 25.763 -5.010 -3.918 1.00 0.00 O ATOM 1210 CB VAL A 77 27.533 -7.814 -3.150 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.069 -8.271 -3.098 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.282 -8.832 -4.015 1.00 0.00 C ATOM 0 H VAL A 77 29.616 -6.442 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 77 27.571 -6.449 -4.793 1.00 0.00 H new ATOM 0 HB VAL A 77 27.940 -7.772 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 77 26.018 -9.283 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.500 -7.596 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.648 -8.259 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.152 -9.830 -3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.885 -8.809 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.343 -8.582 -4.035 1.00 0.00 H new ATOM 1222 N VAL A 78 26.672 -5.097 -1.867 1.00 0.00 N ATOM 1223 CA VAL A 78 25.654 -4.241 -1.223 1.00 0.00 C ATOM 1224 C VAL A 78 25.604 -2.857 -1.875 1.00 0.00 C ATOM 1225 O VAL A 78 24.526 -2.317 -2.121 1.00 0.00 O ATOM 1226 CB VAL A 78 25.909 -4.139 0.295 1.00 0.00 C ATOM 1227 CG1 VAL A 78 25.008 -3.112 0.994 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.642 -5.494 0.962 1.00 0.00 C ATOM 0 H VAL A 78 27.418 -5.393 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 78 24.679 -4.705 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 78 26.947 -3.825 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.239 -3.091 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.181 -2.125 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.963 -3.390 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.824 -5.414 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.606 -5.786 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.306 -6.246 0.536 1.00 0.00 H new ATOM 1238 N ALA A 79 26.761 -2.309 -2.241 1.00 0.00 N ATOM 1239 CA ALA A 79 26.867 -1.008 -2.886 1.00 0.00 C ATOM 1240 C ALA A 79 26.327 -1.027 -4.323 1.00 0.00 C ATOM 1241 O ALA A 79 25.764 -0.035 -4.783 1.00 0.00 O ATOM 1242 CB ALA A 79 28.338 -0.598 -2.824 1.00 0.00 C ATOM 0 H ALA A 79 27.662 -2.765 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 79 26.249 -0.276 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.465 0.375 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.656 -0.539 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.944 -1.338 -3.347 1.00 0.00 H new ATOM 1248 N ALA A 80 26.454 -2.139 -5.051 1.00 0.00 N ATOM 1249 CA ALA A 80 25.884 -2.278 -6.392 1.00 0.00 C ATOM 1250 C ALA A 80 24.348 -2.239 -6.377 1.00 0.00 C ATOM 1251 O ALA A 80 23.752 -1.773 -7.342 1.00 0.00 O ATOM 1252 CB ALA A 80 26.399 -3.582 -7.010 1.00 0.00 C ATOM 0 H ALA A 80 26.954 -2.967 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 80 26.202 -1.430 -6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.983 -3.700 -8.010 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.487 -3.551 -7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.094 -4.424 -6.389 1.00 0.00 H new ATOM 1258 N LEU A 81 23.701 -2.643 -5.277 1.00 0.00 N ATOM 1259 CA LEU A 81 22.234 -2.605 -5.144 1.00 0.00 C ATOM 1260 C LEU A 81 21.732 -1.152 -5.228 1.00 0.00 C ATOM 1261 O LEU A 81 20.852 -0.826 -6.023 1.00 0.00 O ATOM 1262 CB LEU A 81 21.783 -3.233 -3.805 1.00 0.00 C ATOM 1263 CG LEU A 81 22.368 -4.605 -3.437 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.976 -4.975 -2.011 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.913 -5.734 -4.355 1.00 0.00 C ATOM 0 H LEU A 81 24.178 -3.006 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 81 21.806 -3.185 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.031 -2.535 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.697 -3.324 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 81 23.448 -4.501 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.395 -5.949 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.362 -4.225 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.890 -5.016 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.367 -6.671 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.828 -5.823 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.218 -5.516 -5.378 1.00 0.00 H new ATOM 1277 N ILE A 82 22.370 -0.266 -4.454 1.00 0.00 N ATOM 1278 CA ILE A 82 22.061 1.172 -4.406 1.00 0.00 C ATOM 1279 C ILE A 82 22.448 1.836 -5.734 1.00 0.00 C ATOM 1280 O ILE A 82 21.647 2.543 -6.338 1.00 0.00 O ATOM 1281 CB ILE A 82 22.760 1.836 -3.191 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.326 1.162 -1.864 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.450 3.345 -3.154 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.096 1.645 -0.627 1.00 0.00 C ATOM 0 H ILE A 82 23.132 -0.532 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 82 20.988 1.309 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 82 23.836 1.702 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.263 1.344 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.455 0.084 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.947 3.798 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.810 3.813 -4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.373 3.493 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.729 1.123 0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.158 1.438 -0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.948 2.718 -0.502 1.00 0.00 H new ATOM 1296 N GLN A 83 23.652 1.560 -6.245 1.00 0.00 N ATOM 1297 CA GLN A 83 24.157 2.190 -7.475 1.00 0.00 C ATOM 1298 C GLN A 83 23.373 1.767 -8.731 1.00 0.00 C ATOM 1299 O GLN A 83 23.272 2.539 -9.684 1.00 0.00 O ATOM 1300 CB GLN A 83 25.656 1.888 -7.622 1.00 0.00 C ATOM 1301 CG GLN A 83 26.468 2.621 -6.543 1.00 0.00 C ATOM 1302 CD GLN A 83 27.934 2.201 -6.526 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.225 1.015 -6.032 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.830 2.926 -6.934 1.00 0.00 N flip ATOM 0 H GLN A 83 24.303 0.898 -5.823 1.00 0.00 H new ATOM 0 HA GLN A 83 24.009 3.266 -7.385 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.825 0.814 -7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.998 2.193 -8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.404 3.696 -6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.026 2.426 -5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.608 3.845 -7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.800 2.612 -6.891 1.00 0.00 H new ATOM 1313 N THR A 84 22.748 0.584 -8.708 1.00 0.00 N ATOM 1314 CA THR A 84 21.809 0.138 -9.749 1.00 0.00 C ATOM 1315 C THR A 84 20.554 1.011 -9.772 1.00 0.00 C ATOM 1316 O THR A 84 20.169 1.487 -10.837 1.00 0.00 O ATOM 1317 CB THR A 84 21.432 -1.335 -9.546 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.578 -2.135 -9.718 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.433 -1.859 -10.563 1.00 0.00 C ATOM 0 H THR A 84 22.880 -0.098 -7.961 1.00 0.00 H new ATOM 0 HA THR A 84 22.309 0.239 -10.712 1.00 0.00 H new ATOM 0 HB THR A 84 20.998 -1.386 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.228 -1.932 -9.013 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.216 -2.907 -10.354 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.512 -1.279 -10.501 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.852 -1.768 -11.565 1.00 0.00 H new ATOM 1327 N GLU A 85 19.922 1.287 -8.624 1.00 0.00 N ATOM 1328 CA GLU A 85 18.732 2.149 -8.620 1.00 0.00 C ATOM 1329 C GLU A 85 19.085 3.628 -8.809 1.00 0.00 C ATOM 1330 O GLU A 85 18.302 4.363 -9.399 1.00 0.00 O ATOM 1331 CB GLU A 85 17.845 1.917 -7.387 1.00 0.00 C ATOM 1332 CG GLU A 85 18.439 2.363 -6.045 1.00 0.00 C ATOM 1333 CD GLU A 85 17.328 2.542 -4.991 1.00 0.00 C ATOM 1334 OE1 GLU A 85 17.167 1.662 -4.111 1.00 0.00 O ATOM 1335 OE2 GLU A 85 16.617 3.578 -5.040 1.00 0.00 O ATOM 0 H GLU A 85 20.204 0.937 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 85 18.139 1.857 -9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.901 2.441 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.612 0.854 -7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.161 1.624 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.979 3.301 -6.174 1.00 0.00 H new ATOM 1342 N GLU A 86 20.257 4.094 -8.379 1.00 0.00 N ATOM 1343 CA GLU A 86 20.686 5.496 -8.544 1.00 0.00 C ATOM 1344 C GLU A 86 20.786 5.931 -10.013 1.00 0.00 C ATOM 1345 O GLU A 86 20.514 7.090 -10.327 1.00 0.00 O ATOM 1346 CB GLU A 86 22.021 5.719 -7.825 1.00 0.00 C ATOM 1347 CG GLU A 86 21.825 5.800 -6.309 1.00 0.00 C ATOM 1348 CD GLU A 86 21.416 7.222 -5.877 1.00 0.00 C ATOM 1349 OE1 GLU A 86 22.304 8.017 -5.482 1.00 0.00 O ATOM 1350 OE2 GLU A 86 20.209 7.558 -5.945 1.00 0.00 O ATOM 0 H GLU A 86 20.945 3.511 -7.902 1.00 0.00 H new ATOM 0 HA GLU A 86 19.914 6.120 -8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.706 4.905 -8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.482 6.639 -8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.059 5.088 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.748 5.515 -5.804 1.00 0.00 H new ATOM 1357 N ALA A 87 21.073 4.996 -10.928 1.00 0.00 N ATOM 1358 CA ALA A 87 20.994 5.237 -12.369 1.00 0.00 C ATOM 1359 C ALA A 87 19.554 5.502 -12.835 1.00 0.00 C ATOM 1360 O ALA A 87 19.318 6.359 -13.679 1.00 0.00 O ATOM 1361 CB ALA A 87 21.556 4.010 -13.091 1.00 0.00 C ATOM 0 H ALA A 87 21.367 4.050 -10.686 1.00 0.00 H new ATOM 0 HA ALA A 87 21.574 6.129 -12.605 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.507 4.168 -14.168 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.593 3.856 -12.794 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.968 3.131 -12.826 1.00 0.00 H new ATOM 1367 N LEU A 88 18.582 4.762 -12.286 1.00 0.00 N ATOM 1368 CA LEU A 88 17.168 4.794 -12.688 1.00 0.00 C ATOM 1369 C LEU A 88 16.370 5.878 -11.951 1.00 0.00 C ATOM 1370 O LEU A 88 15.346 6.350 -12.446 1.00 0.00 O ATOM 1371 CB LEU A 88 16.559 3.395 -12.466 1.00 0.00 C ATOM 1372 CG LEU A 88 17.326 2.212 -13.086 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.531 0.944 -12.858 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.544 2.384 -14.584 1.00 0.00 C ATOM 0 H LEU A 88 18.762 4.105 -11.527 1.00 0.00 H new ATOM 0 HA LEU A 88 17.113 5.056 -13.745 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.476 3.224 -11.393 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.546 3.395 -12.868 1.00 0.00 H new ATOM 0 HG LEU A 88 18.304 2.164 -12.608 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.063 0.098 -13.292 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.404 0.782 -11.788 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.553 1.038 -13.330 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.089 1.524 -14.973 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.579 2.460 -15.086 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.120 3.291 -14.766 1.00 0.00 H new ATOM 1386 N ASN A 89 16.872 6.322 -10.800 1.00 0.00 N ATOM 1387 CA ASN A 89 16.263 7.325 -9.919 1.00 0.00 C ATOM 1388 C ASN A 89 16.117 8.707 -10.570 1.00 0.00 C ATOM 1389 O ASN A 89 15.199 9.443 -10.223 1.00 0.00 O ATOM 1390 CB ASN A 89 17.070 7.377 -8.605 1.00 0.00 C ATOM 1391 CG ASN A 89 16.416 6.607 -7.472 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.424 7.018 -6.890 1.00 0.00 O ATOM 1393 ND2 ASN A 89 16.969 5.474 -7.140 1.00 0.00 N ATOM 0 H ASN A 89 17.760 5.976 -10.435 1.00 0.00 H new ATOM 0 HA ASN A 89 15.238 7.020 -9.709 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.067 6.974 -8.782 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.196 8.417 -8.304 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.573 4.916 -6.384 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.797 5.146 -7.637 1.00 0.00 H new ATOM 1400 N ARG A 90 16.952 9.035 -11.566 1.00 0.00 N ATOM 1401 CA ARG A 90 16.843 10.261 -12.386 1.00 0.00 C ATOM 1402 C ARG A 90 16.239 10.019 -13.786 1.00 0.00 C ATOM 1403 O ARG A 90 15.901 10.973 -14.480 1.00 0.00 O ATOM 1404 CB ARG A 90 18.229 10.946 -12.368 1.00 0.00 C ATOM 1405 CG ARG A 90 18.198 12.447 -12.711 1.00 0.00 C ATOM 1406 CD ARG A 90 18.611 12.747 -14.156 1.00 0.00 C ATOM 1407 NE ARG A 90 20.071 12.617 -14.353 1.00 0.00 N ATOM 1408 CZ ARG A 90 20.999 13.535 -14.132 1.00 0.00 C ATOM 1409 NH1 ARG A 90 20.712 14.722 -13.675 1.00 0.00 N ATOM 1410 NH2 ARG A 90 22.253 13.272 -14.366 1.00 0.00 N ATOM 0 H ARG A 90 17.741 8.446 -11.834 1.00 0.00 H new ATOM 0 HA ARG A 90 16.112 10.946 -11.956 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.671 10.820 -11.380 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.882 10.437 -13.076 1.00 0.00 H new ATOM 0 HG2 ARG A 90 17.192 12.831 -12.541 1.00 0.00 H new ATOM 0 HG3 ARG A 90 18.862 12.982 -12.032 1.00 0.00 H new ATOM 0 HD2 ARG A 90 18.092 12.066 -14.830 1.00 0.00 H new ATOM 0 HD3 ARG A 90 18.298 13.757 -14.420 1.00 0.00 H new ATOM 0 HE ARG A 90 20.401 11.716 -14.699 1.00 0.00 H new ATOM 0 HH11 ARG A 90 19.743 14.971 -13.475 1.00 0.00 H new ATOM 0 HH12 ARG A 90 21.456 15.402 -13.518 1.00 0.00 H new ATOM 0 HH21 ARG A 90 22.524 12.355 -14.721 1.00 0.00 H new ATOM 0 HH22 ARG A 90 22.964 13.983 -14.194 1.00 0.00 H new ATOM 1424 N ARG A 91 16.038 8.748 -14.175 1.00 0.00 N ATOM 1425 CA ARG A 91 15.424 8.337 -15.465 1.00 0.00 C ATOM 1426 C ARG A 91 13.897 8.291 -15.392 1.00 0.00 C ATOM 1427 O ARG A 91 13.216 8.889 -16.221 1.00 0.00 O ATOM 1428 CB ARG A 91 15.940 6.953 -15.906 1.00 0.00 C ATOM 1429 CG ARG A 91 17.421 6.914 -16.304 1.00 0.00 C ATOM 1430 CD ARG A 91 17.878 5.453 -16.507 1.00 0.00 C ATOM 1431 NE ARG A 91 18.202 5.166 -17.920 1.00 0.00 N ATOM 1432 CZ ARG A 91 19.326 5.436 -18.564 1.00 0.00 C ATOM 1433 NH1 ARG A 91 20.325 6.050 -17.993 1.00 0.00 N ATOM 1434 NH2 ARG A 91 19.466 5.092 -19.811 1.00 0.00 N ATOM 0 H ARG A 91 16.302 7.953 -13.592 1.00 0.00 H new ATOM 0 HA ARG A 91 15.715 9.093 -16.195 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.778 6.245 -15.093 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.342 6.611 -16.751 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.574 7.482 -17.222 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.026 7.388 -15.531 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.753 5.257 -15.887 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.092 4.777 -16.171 1.00 0.00 H new ATOM 0 HE ARG A 91 17.472 4.705 -18.464 1.00 0.00 H new ATOM 0 HH11 ARG A 91 20.255 6.339 -17.017 1.00 0.00 H new ATOM 0 HH12 ARG A 91 21.176 6.241 -18.522 1.00 0.00 H new ATOM 0 HH21 ARG A 91 18.708 4.612 -20.296 1.00 0.00 H new ATOM 0 HH22 ARG A 91 20.334 5.302 -20.304 1.00 0.00 H new ATOM 1448 N GLN A 92 13.381 7.540 -14.410 1.00 0.00 N ATOM 1449 CA GLN A 92 11.955 7.167 -14.333 1.00 0.00 C ATOM 1450 C GLN A 92 11.352 7.174 -12.924 1.00 0.00 C ATOM 1451 O GLN A 92 10.225 7.632 -12.749 1.00 0.00 O ATOM 1452 CB GLN A 92 11.741 5.804 -15.015 1.00 0.00 C ATOM 1453 CG GLN A 92 12.664 4.657 -14.551 1.00 0.00 C ATOM 1454 CD GLN A 92 12.140 3.303 -15.028 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.625 2.717 -15.985 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.117 2.770 -14.390 1.00 0.00 N ATOM 0 H GLN A 92 13.940 7.170 -13.641 1.00 0.00 H new ATOM 0 HA GLN A 92 11.414 7.951 -14.862 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.707 5.499 -14.853 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.870 5.934 -16.089 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.671 4.817 -14.937 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.735 4.660 -13.463 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.707 3.253 -13.591 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.736 1.875 -14.696 1.00 0.00 H new ATOM 1465 N ILE A 93 12.103 6.740 -11.899 1.00 0.00 N ATOM 1466 CA ILE A 93 11.589 6.701 -10.507 1.00 0.00 C ATOM 1467 C ILE A 93 11.374 8.131 -9.968 1.00 0.00 C ATOM 1468 O ILE A 93 10.563 8.354 -9.077 1.00 0.00 O ATOM 1469 CB ILE A 93 12.475 5.834 -9.567 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.036 4.555 -10.247 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.652 5.452 -8.326 1.00 0.00 C ATOM 1472 CD1 ILE A 93 13.886 3.645 -9.346 1.00 0.00 C ATOM 0 H ILE A 93 13.063 6.412 -12.000 1.00 0.00 H new ATOM 0 HA ILE A 93 10.618 6.206 -10.527 1.00 0.00 H new ATOM 0 HB ILE A 93 13.343 6.434 -9.293 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.199 3.974 -10.635 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.640 4.855 -11.104 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.262 4.844 -7.658 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.337 6.357 -7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.773 4.885 -8.633 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.227 2.782 -9.918 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.749 4.201 -8.978 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.286 3.306 -8.502 1.00 0.00 H new ATOM 1484 N ASN A 94 12.026 9.126 -10.581 1.00 0.00 N ATOM 1485 CA ASN A 94 11.923 10.549 -10.241 1.00 0.00 C ATOM 1486 C ASN A 94 10.472 11.062 -10.272 1.00 0.00 C ATOM 1487 O ASN A 94 10.043 11.761 -9.359 1.00 0.00 O ATOM 1488 CB ASN A 94 12.802 11.345 -11.233 1.00 0.00 C ATOM 1489 CG ASN A 94 13.512 12.512 -10.571 1.00 0.00 C ATOM 1490 OD1 ASN A 94 13.081 13.654 -10.625 1.00 0.00 O ATOM 1491 ND2 ASN A 94 14.632 12.245 -9.937 1.00 0.00 N ATOM 0 H ASN A 94 12.665 8.955 -11.358 1.00 0.00 H new ATOM 0 HA ASN A 94 12.271 10.689 -9.218 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.541 10.677 -11.675 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.180 11.717 -12.048 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.152 12.996 -9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.981 11.287 -9.899 1.00 0.00 H new ATOM 1498 N GLN A 95 9.692 10.660 -11.285 1.00 0.00 N ATOM 1499 CA GLN A 95 8.275 11.033 -11.402 1.00 0.00 C ATOM 1500 C GLN A 95 7.418 10.322 -10.346 1.00 0.00 C ATOM 1501 O GLN A 95 6.555 10.943 -9.729 1.00 0.00 O ATOM 1502 CB GLN A 95 7.758 10.735 -12.820 1.00 0.00 C ATOM 1503 CG GLN A 95 8.453 11.588 -13.895 1.00 0.00 C ATOM 1504 CD GLN A 95 7.815 11.397 -15.269 1.00 0.00 C ATOM 1505 OE1 GLN A 95 6.957 12.156 -15.705 1.00 0.00 O ATOM 1506 NE2 GLN A 95 8.196 10.371 -15.999 1.00 0.00 N ATOM 0 H GLN A 95 10.025 10.068 -12.046 1.00 0.00 H new ATOM 0 HA GLN A 95 8.193 12.105 -11.221 1.00 0.00 H new ATOM 0 HB2 GLN A 95 7.911 9.679 -13.044 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.684 10.916 -12.856 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.402 12.640 -13.614 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.509 11.322 -13.944 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.909 9.732 -15.648 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.778 10.215 -16.916 1.00 0.00 H new ATOM 1515 N ALA A 96 7.698 9.042 -10.078 1.00 0.00 N ATOM 1516 CA ALA A 96 6.974 8.250 -9.082 1.00 0.00 C ATOM 1517 C ALA A 96 7.188 8.789 -7.654 1.00 0.00 C ATOM 1518 O ALA A 96 6.215 9.013 -6.931 1.00 0.00 O ATOM 1519 CB ALA A 96 7.401 6.782 -9.213 1.00 0.00 C ATOM 0 H ALA A 96 8.439 8.524 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 96 5.903 8.328 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.868 6.181 -8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.164 6.422 -10.214 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.474 6.699 -9.042 1.00 0.00 H new ATOM 1525 N LEU A 97 8.440 9.079 -7.270 1.00 0.00 N ATOM 1526 CA LEU A 97 8.752 9.613 -5.936 1.00 0.00 C ATOM 1527 C LEU A 97 8.263 11.059 -5.749 1.00 0.00 C ATOM 1528 O LEU A 97 7.777 11.411 -4.675 1.00 0.00 O ATOM 1529 CB LEU A 97 10.241 9.399 -5.606 1.00 0.00 C ATOM 1530 CG LEU A 97 11.268 10.251 -6.372 1.00 0.00 C ATOM 1531 CD1 LEU A 97 11.577 11.580 -5.677 1.00 0.00 C ATOM 1532 CD2 LEU A 97 12.598 9.503 -6.492 1.00 0.00 C ATOM 0 H LEU A 97 9.257 8.952 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 97 8.187 9.046 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.379 9.583 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.477 8.349 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 97 10.818 10.446 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.307 12.137 -6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.662 12.165 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.982 11.386 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.314 10.119 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 97 12.986 9.289 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.442 8.567 -7.029 1.00 0.00 H new ATOM 1544 N LEU A 98 8.301 11.869 -6.811 1.00 0.00 N ATOM 1545 CA LEU A 98 7.755 13.230 -6.813 1.00 0.00 C ATOM 1546 C LEU A 98 6.228 13.214 -6.646 1.00 0.00 C ATOM 1547 O LEU A 98 5.671 14.024 -5.901 1.00 0.00 O ATOM 1548 CB LEU A 98 8.167 13.937 -8.117 1.00 0.00 C ATOM 1549 CG LEU A 98 7.550 15.334 -8.302 1.00 0.00 C ATOM 1550 CD1 LEU A 98 8.028 16.332 -7.246 1.00 0.00 C ATOM 1551 CD2 LEU A 98 7.921 15.882 -9.681 1.00 0.00 C ATOM 0 H LEU A 98 8.716 11.596 -7.702 1.00 0.00 H new ATOM 0 HA LEU A 98 8.162 13.781 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.253 14.026 -8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.880 13.311 -8.962 1.00 0.00 H new ATOM 0 HG LEU A 98 6.471 15.218 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.562 17.301 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.752 15.973 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.112 16.434 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.483 16.872 -9.809 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.006 15.952 -9.765 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.540 15.213 -10.453 1.00 0.00 H new ATOM 1563 N SER A 99 5.550 12.283 -7.326 1.00 0.00 N ATOM 1564 CA SER A 99 4.093 12.159 -7.278 1.00 0.00 C ATOM 1565 C SER A 99 3.578 11.733 -5.892 1.00 0.00 C ATOM 1566 O SER A 99 2.490 12.143 -5.477 1.00 0.00 O ATOM 1567 CB SER A 99 3.629 11.171 -8.358 1.00 0.00 C ATOM 1568 OG SER A 99 2.212 11.138 -8.446 1.00 0.00 O ATOM 0 H SER A 99 6.000 11.593 -7.927 1.00 0.00 H new ATOM 0 HA SER A 99 3.670 13.144 -7.472 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.050 11.457 -9.322 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.006 10.174 -8.129 1.00 0.00 H new ATOM 0 HG SER A 99 1.942 10.503 -9.142 1.00 0.00 H new ATOM 1574 N THR A 100 4.364 10.936 -5.154 1.00 0.00 N ATOM 1575 CA THR A 100 4.053 10.436 -3.813 1.00 0.00 C ATOM 1576 C THR A 100 5.286 9.773 -3.187 1.00 0.00 C ATOM 1577 O THR A 100 5.748 8.699 -3.582 1.00 0.00 O ATOM 1578 CB THR A 100 2.827 9.493 -3.803 1.00 0.00 C ATOM 1579 OG1 THR A 100 2.616 9.009 -2.490 1.00 0.00 O ATOM 1580 CG2 THR A 100 2.877 8.295 -4.760 1.00 0.00 C ATOM 0 H THR A 100 5.270 10.611 -5.492 1.00 0.00 H new ATOM 0 HA THR A 100 3.779 11.294 -3.199 1.00 0.00 H new ATOM 0 HB THR A 100 2.008 10.115 -4.164 1.00 0.00 H new ATOM 0 HG1 THR A 100 1.838 8.413 -2.482 1.00 0.00 H new ATOM 0 HG21 THR A 100 1.962 7.711 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.969 8.652 -5.786 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.735 7.669 -4.515 1.00 0.00 H new ATOM 1588 N GLY A 101 5.818 10.454 -2.176 1.00 0.00 N ATOM 1589 CA GLY A 101 6.854 9.946 -1.272 1.00 0.00 C ATOM 1590 C GLY A 101 8.274 10.277 -1.733 1.00 0.00 C ATOM 1591 O GLY A 101 9.039 9.385 -2.108 1.00 0.00 O ATOM 0 H GLY A 101 5.532 11.407 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.696 10.364 -0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.751 8.864 -1.184 1.00 0.00 H new ATOM 1595 N ASP A 102 8.630 11.565 -1.683 1.00 0.00 N ATOM 1596 CA ASP A 102 10.001 12.034 -1.939 1.00 0.00 C ATOM 1597 C ASP A 102 11.036 11.422 -0.972 1.00 0.00 C ATOM 1598 O ASP A 102 10.710 10.971 0.134 1.00 0.00 O ATOM 1599 CB ASP A 102 10.102 13.561 -1.839 1.00 0.00 C ATOM 1600 CG ASP A 102 9.250 14.297 -2.884 1.00 0.00 C ATOM 1601 OD1 ASP A 102 8.085 14.650 -2.577 1.00 0.00 O ATOM 1602 OD2 ASP A 102 9.769 14.570 -3.993 1.00 0.00 O ATOM 0 H ASP A 102 7.975 12.316 -1.463 1.00 0.00 H new ATOM 0 HA ASP A 102 10.229 11.706 -2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.792 13.874 -0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 102 11.144 13.858 -1.956 1.00 0.00 H new ATOM 1607 N LEU A 103 12.309 11.445 -1.381 1.00 0.00 N ATOM 1608 CA LEU A 103 13.428 10.917 -0.597 1.00 0.00 C ATOM 1609 C LEU A 103 13.757 11.759 0.657 1.00 0.00 C ATOM 1610 O LEU A 103 13.493 12.963 0.711 1.00 0.00 O ATOM 1611 CB LEU A 103 14.645 10.691 -1.519 1.00 0.00 C ATOM 1612 CG LEU A 103 15.639 11.863 -1.665 1.00 0.00 C ATOM 1613 CD1 LEU A 103 16.837 11.417 -2.502 1.00 0.00 C ATOM 1614 CD2 LEU A 103 15.013 13.077 -2.349 1.00 0.00 C ATOM 0 H LEU A 103 12.594 11.837 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 103 13.126 9.953 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 103 15.194 9.825 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.275 10.434 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 103 15.941 12.150 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.538 12.245 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 103 17.333 10.580 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.496 11.107 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 103 15.754 13.873 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 103 14.674 12.798 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 103 14.164 13.428 -1.762 1.00 0.00 H new ATOM 1626 N ALA A 104 14.379 11.112 1.648 1.00 0.00 N ATOM 1627 CA ALA A 104 14.803 11.739 2.911 1.00 0.00 C ATOM 1628 C ALA A 104 15.993 11.036 3.611 1.00 0.00 C ATOM 1629 O ALA A 104 16.174 11.162 4.826 1.00 0.00 O ATOM 1630 CB ALA A 104 13.573 11.832 3.830 1.00 0.00 C ATOM 0 H ALA A 104 14.608 10.119 1.597 1.00 0.00 H new ATOM 0 HA ALA A 104 15.190 12.731 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.859 12.294 4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.804 12.436 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.183 10.832 4.018 1.00 0.00 H new ATOM 1636 N HIS A 105 16.790 10.267 2.858 1.00 0.00 N ATOM 1637 CA HIS A 105 17.855 9.400 3.398 1.00 0.00 C ATOM 1638 C HIS A 105 19.266 9.933 3.111 1.00 0.00 C ATOM 1639 O HIS A 105 20.048 10.147 4.039 1.00 0.00 O ATOM 1640 CB HIS A 105 17.658 7.970 2.872 1.00 0.00 C ATOM 1641 CG HIS A 105 18.698 6.998 3.377 1.00 0.00 C ATOM 1642 ND1 HIS A 105 18.778 6.495 4.680 1.00 0.00 N ATOM 1643 CD2 HIS A 105 19.724 6.480 2.640 1.00 0.00 C ATOM 1644 CE1 HIS A 105 19.852 5.685 4.696 1.00 0.00 C ATOM 1645 NE2 HIS A 105 20.438 5.658 3.486 1.00 0.00 N ATOM 0 H HIS A 105 16.715 10.226 1.842 1.00 0.00 H new ATOM 0 HA HIS A 105 17.771 9.395 4.485 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.669 7.616 3.163 1.00 0.00 H new ATOM 0 HB3 HIS A 105 17.683 7.985 1.782 1.00 0.00 H new ATOM 0 HD2 HIS A 105 19.935 6.676 1.599 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.195 5.134 5.559 1.00 0.00 H new ATOM 0 HE2 HIS A 105 21.269 5.121 3.237 1.00 0.00 H new ATOM 1653 N ASP A 106 19.587 10.161 1.833 1.00 0.00 N ATOM 1654 CA ASP A 106 20.915 10.591 1.373 1.00 0.00 C ATOM 1655 C ASP A 106 20.810 11.318 0.016 1.00 0.00 C ATOM 1656 O ASP A 106 20.794 10.690 -1.045 1.00 0.00 O ATOM 1657 CB ASP A 106 21.835 9.360 1.289 1.00 0.00 C ATOM 1658 CG ASP A 106 23.261 9.729 0.844 1.00 0.00 C ATOM 1659 OD1 ASP A 106 23.823 9.038 -0.041 1.00 0.00 O ATOM 1660 OD2 ASP A 106 23.843 10.687 1.406 1.00 0.00 O ATOM 0 H ASP A 106 18.917 10.050 1.072 1.00 0.00 H new ATOM 0 HA ASP A 106 21.342 11.300 2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 106 21.875 8.871 2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 106 21.412 8.640 0.588 1.00 0.00 H new ATOM 1665 N GLU A 107 20.683 12.649 0.045 1.00 0.00 N ATOM 1666 CA GLU A 107 20.472 13.461 -1.165 1.00 0.00 C ATOM 1667 C GLU A 107 21.767 13.711 -1.964 1.00 0.00 C ATOM 1668 O GLU A 107 21.761 13.578 -3.193 1.00 0.00 O ATOM 1669 CB GLU A 107 19.814 14.799 -0.794 1.00 0.00 C ATOM 1670 CG GLU A 107 18.391 14.633 -0.246 1.00 0.00 C ATOM 1671 CD GLU A 107 17.766 16.005 0.070 1.00 0.00 C ATOM 1672 OE1 GLU A 107 17.166 16.632 -0.838 1.00 0.00 O ATOM 1673 OE2 GLU A 107 17.865 16.470 1.233 1.00 0.00 O ATOM 0 H GLU A 107 20.723 13.196 0.905 1.00 0.00 H new ATOM 0 HA GLU A 107 19.811 12.887 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 107 20.428 15.306 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 107 19.786 15.441 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.775 14.106 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 107 18.412 14.021 0.656 1.00 0.00 H new ATOM 1680 N PHE A 108 22.865 14.054 -1.273 1.00 0.00 N ATOM 1681 CA PHE A 108 24.176 14.409 -1.846 1.00 0.00 C ATOM 1682 C PHE A 108 25.343 13.970 -0.938 1.00 0.00 C ATOM 1683 O PHE A 108 25.350 14.320 0.267 1.00 0.00 O ATOM 1684 CB PHE A 108 24.247 15.924 -2.113 1.00 0.00 C ATOM 1685 CG PHE A 108 23.305 16.436 -3.190 1.00 0.00 C ATOM 1686 CD1 PHE A 108 22.089 17.055 -2.839 1.00 0.00 C ATOM 1687 CD2 PHE A 108 23.647 16.292 -4.549 1.00 0.00 C ATOM 1688 CE1 PHE A 108 21.219 17.524 -3.841 1.00 0.00 C ATOM 1689 CE2 PHE A 108 22.777 16.762 -5.551 1.00 0.00 C ATOM 1690 CZ PHE A 108 21.563 17.377 -5.197 1.00 0.00 C ATOM 0 H PHE A 108 22.865 14.094 -0.254 1.00 0.00 H new ATOM 0 HA PHE A 108 24.278 13.872 -2.789 1.00 0.00 H new ATOM 0 HB2 PHE A 108 24.031 16.451 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 108 25.268 16.180 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 108 21.824 17.170 -1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 108 24.579 15.820 -4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 108 20.287 17.997 -3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 108 23.042 16.650 -6.592 1.00 0.00 H new ATOM 0 HZ PHE A 108 20.895 17.736 -5.966 1.00 0.00 H new TER 1700 PHE A 108