USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 674 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 91 THR OG1 : rot 81:sc= 1.48 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -13.1! C(o=-21!,f=-17!) USER MOD Set 2.2: A 98 ASN : amide:sc= -8! C(o=-21!,f=-14!) USER MOD Set 3.1: A 81 ASN : amide:sc= -31.3! C(o=-65!,f=-29!) USER MOD Set 3.2: A 83 ASN : amide:sc= -22.6! C(o=-65!,f=-29!) USER MOD Set 3.3: A 85 GLN : amide:sc= -10.6! K(o=-65!,f=-31) USER MOD Set 4.1: A 36 ASN : amide:sc= -3.55! C(o=-12!,f=-13!) USER MOD Set 4.2: A 68 TYR OH : rot 88:sc= -8.31! USER MOD Set 5.1: A 27 HIS : no HD1:sc= -14.7! C(o=-20!,f=-25!) USER MOD Set 5.2: A 57 TYR OH : rot -30:sc= -5.06! USER MOD Set 6.1: A 2 CYS SG : rot 2:sc= 1.15 USER MOD Set 6.2: A 10 CYS SG : rot 111:sc= -6.23! USER MOD Set 6.3: A 12 SER OG : rot 180:sc= 0.0155 USER MOD Set 7.1: A 6 CYS SG : rot -6:sc= -27.4! USER MOD Set 7.2: A 9 ASN : amide:sc= -16.2! C(o=-88!,f=-94!) USER MOD Set 7.3: A 11 TYR OH : rot 52:sc= -6.33! USER MOD Set 7.4: A 103 CYS SG : rot 160:sc= -38.6! USER MOD Single : A 4 TYR OH : rot -92:sc= 0.012 USER MOD Single : A 5 THR OG1 : rot -69:sc= 0.983 USER MOD Single : A 8 SER OG : rot 64:sc= 0.982 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -24.1! C(o=-24!,f=-25!) USER MOD Single : A 24 TYR OH : rot -81:sc= -3.7! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 59:sc= 1.11 USER MOD Single : A 38 TYR OH : rot 54:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -6.08! C(o=-6.1!,f=-10!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 31:sc= -4.49! USER MOD Single : A 43 ASN : amide:sc= -2.27 K(o=-2.3,f=-0.57) USER MOD Single : A 44 ASN : amide:sc= -2.12! K(o=-2.1!,f=-1.3) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc=0.000714 USER MOD Single : A 56 TYR OH : rot 8:sc= 0.69 USER MOD Single : A 63 SER OG : rot -17:sc= 0.131 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00497 USER MOD Single : A 69 SER OG : rot 65:sc= 1.12 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -14.7! C(o=-15!,f=-8.2!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -26! C(o=-26!,f=-38!) USER MOD Single : A 104 THR OG1 : rot -72:sc= -0.647! USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -5.270 -13.712 -7.106 1.00 0.00 N ATOM 12 CA CYS A 2 -4.191 -13.063 -6.381 1.00 0.00 C ATOM 13 C CYS A 2 -3.798 -11.794 -7.139 1.00 0.00 C ATOM 14 O CYS A 2 -2.646 -11.637 -7.542 1.00 0.00 O ATOM 15 CB CYS A 2 -2.997 -14.001 -6.183 1.00 0.00 C ATOM 16 SG CYS A 2 -3.293 -15.735 -6.689 1.00 0.00 S ATOM 0 HA CYS A 2 -4.531 -12.797 -5.380 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -2.149 -13.612 -6.747 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.713 -13.988 -5.131 1.00 0.00 H new ATOM 0 HG CYS A 2 -4.490 -15.844 -7.183 1.00 0.00 H new ATOM 21 N ASP A 3 -4.778 -10.919 -7.311 1.00 0.00 N ATOM 22 CA ASP A 3 -4.551 -9.667 -8.014 1.00 0.00 C ATOM 23 C ASP A 3 -3.156 -9.140 -7.669 1.00 0.00 C ATOM 24 O ASP A 3 -2.514 -8.488 -8.490 1.00 0.00 O ATOM 25 CB ASP A 3 -5.573 -8.608 -7.599 1.00 0.00 C ATOM 26 CG ASP A 3 -7.032 -8.973 -7.878 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.391 -10.135 -7.591 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.756 -8.082 -8.373 1.00 0.00 O ATOM 0 H ASP A 3 -5.732 -11.052 -6.975 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.646 -9.858 -9.083 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.460 -8.414 -6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.341 -7.678 -8.118 1.00 0.00 H new ATOM 33 N TYR A 4 -2.728 -9.444 -6.452 1.00 0.00 N ATOM 34 CA TYR A 4 -1.423 -9.009 -5.987 1.00 0.00 C ATOM 35 C TYR A 4 -0.686 -10.145 -5.275 1.00 0.00 C ATOM 36 O TYR A 4 -1.214 -10.738 -4.335 1.00 0.00 O ATOM 37 CB TYR A 4 -1.685 -7.882 -4.987 1.00 0.00 C ATOM 38 CG TYR A 4 -2.446 -6.692 -5.575 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.759 -5.679 -6.212 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.821 -6.632 -5.469 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.476 -4.559 -6.766 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.538 -5.513 -6.023 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.830 -4.531 -6.644 1.00 0.00 C ATOM 44 OH TYR A 4 -4.507 -3.474 -7.167 1.00 0.00 O ATOM 0 H TYR A 4 -3.263 -9.987 -5.774 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.805 -8.689 -6.826 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.250 -8.281 -4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.731 -7.531 -4.593 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.683 -5.726 -6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.359 -7.425 -4.970 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.950 -3.760 -7.267 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.614 -5.454 -5.947 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.612 -2.781 -6.482 1.00 0.00 H new ATOM 54 N THR A 5 0.520 -10.417 -5.751 1.00 0.00 N ATOM 55 CA THR A 5 1.333 -11.473 -5.172 1.00 0.00 C ATOM 56 C THR A 5 2.764 -10.981 -4.948 1.00 0.00 C ATOM 57 O THR A 5 3.539 -10.860 -5.896 1.00 0.00 O ATOM 58 CB THR A 5 1.246 -12.694 -6.089 1.00 0.00 C ATOM 59 OG1 THR A 5 0.021 -13.320 -5.718 1.00 0.00 O ATOM 60 CG2 THR A 5 2.314 -13.742 -5.771 1.00 0.00 C ATOM 0 H THR A 5 0.954 -9.924 -6.531 1.00 0.00 H new ATOM 0 HA THR A 5 0.964 -11.762 -4.188 1.00 0.00 H new ATOM 0 HB THR A 5 1.348 -12.377 -7.127 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.108 -13.703 -4.820 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.208 -14.588 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.304 -13.301 -5.892 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.193 -14.085 -4.743 1.00 0.00 H new ATOM 68 N CYS A 6 3.073 -10.710 -3.688 1.00 0.00 N ATOM 69 CA CYS A 6 4.397 -10.234 -3.327 1.00 0.00 C ATOM 70 C CYS A 6 5.339 -11.438 -3.262 1.00 0.00 C ATOM 71 O CYS A 6 5.856 -11.770 -2.197 1.00 0.00 O ATOM 72 CB CYS A 6 4.378 -9.453 -2.011 1.00 0.00 C ATOM 73 SG CYS A 6 3.862 -7.704 -2.165 1.00 0.00 S ATOM 0 H CYS A 6 2.428 -10.811 -2.904 1.00 0.00 H new ATOM 0 HA CYS A 6 4.754 -9.535 -4.083 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.706 -9.956 -1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.375 -9.486 -1.571 1.00 0.00 H new ATOM 0 HG CYS A 6 3.721 -7.402 -3.422 1.00 0.00 H new ATOM 78 N GLY A 7 5.533 -12.059 -4.416 1.00 0.00 N ATOM 79 CA GLY A 7 6.404 -13.219 -4.505 1.00 0.00 C ATOM 80 C GLY A 7 5.652 -14.499 -4.135 1.00 0.00 C ATOM 81 O GLY A 7 5.667 -15.472 -4.887 1.00 0.00 O ATOM 0 H GLY A 7 5.102 -11.781 -5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.799 -13.305 -5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.258 -13.089 -3.840 1.00 0.00 H new ATOM 85 N SER A 8 5.010 -14.457 -2.976 1.00 0.00 N ATOM 86 CA SER A 8 4.253 -15.601 -2.498 1.00 0.00 C ATOM 87 C SER A 8 3.080 -15.129 -1.635 1.00 0.00 C ATOM 88 O SER A 8 2.868 -15.639 -0.537 1.00 0.00 O ATOM 89 CB SER A 8 5.145 -16.558 -1.703 1.00 0.00 C ATOM 90 OG SER A 8 5.127 -16.269 -0.308 1.00 0.00 O ATOM 0 H SER A 8 4.999 -13.648 -2.354 1.00 0.00 H new ATOM 0 HA SER A 8 3.866 -16.141 -3.362 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.812 -17.583 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.168 -16.493 -2.074 1.00 0.00 H new ATOM 0 HG SER A 8 4.225 -16.417 0.045 1.00 0.00 H new ATOM 96 N ASN A 9 2.351 -14.158 -2.166 1.00 0.00 N ATOM 97 CA ASN A 9 1.205 -13.612 -1.457 1.00 0.00 C ATOM 98 C ASN A 9 -0.040 -13.738 -2.337 1.00 0.00 C ATOM 99 O ASN A 9 -0.016 -14.423 -3.358 1.00 0.00 O ATOM 100 CB ASN A 9 1.411 -12.129 -1.139 1.00 0.00 C ATOM 101 CG ASN A 9 2.759 -11.897 -0.453 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.839 -11.446 0.678 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.809 -12.230 -1.197 1.00 0.00 N ATOM 0 H ASN A 9 2.531 -13.736 -3.077 1.00 0.00 H new ATOM 0 HA ASN A 9 1.087 -14.168 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.362 -11.546 -2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.606 -11.776 -0.495 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.753 -12.113 -0.828 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.671 -12.602 -2.137 1.00 0.00 H new ATOM 110 N CYS A 10 -1.099 -13.065 -1.909 1.00 0.00 N ATOM 111 CA CYS A 10 -2.351 -13.094 -2.645 1.00 0.00 C ATOM 112 C CYS A 10 -3.300 -12.069 -2.019 1.00 0.00 C ATOM 113 O CYS A 10 -4.235 -12.437 -1.309 1.00 0.00 O ATOM 114 CB CYS A 10 -2.961 -14.496 -2.670 1.00 0.00 C ATOM 115 SG CYS A 10 -4.453 -14.666 -3.715 1.00 0.00 S ATOM 0 H CYS A 10 -1.115 -12.497 -1.062 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.169 -12.831 -3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.206 -15.199 -3.022 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.214 -14.785 -1.650 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.176 -15.401 -4.751 1.00 0.00 H new ATOM 120 N TYR A 11 -3.027 -10.805 -2.304 1.00 0.00 N ATOM 121 CA TYR A 11 -3.845 -9.726 -1.778 1.00 0.00 C ATOM 122 C TYR A 11 -5.030 -9.435 -2.701 1.00 0.00 C ATOM 123 O TYR A 11 -5.344 -8.277 -2.967 1.00 0.00 O ATOM 124 CB TYR A 11 -2.937 -8.495 -1.730 1.00 0.00 C ATOM 125 CG TYR A 11 -1.540 -8.772 -1.172 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.376 -9.048 0.170 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.444 -8.747 -2.011 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.061 -9.309 0.695 1.00 0.00 C ATOM 129 CE2 TYR A 11 0.870 -9.008 -1.485 1.00 0.00 C ATOM 130 CZ TYR A 11 0.997 -9.277 -0.158 1.00 0.00 C ATOM 131 OH TYR A 11 2.239 -9.523 0.338 1.00 0.00 O ATOM 0 H TYR A 11 -2.250 -10.504 -2.893 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.245 -9.990 -0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.841 -8.088 -2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.415 -7.728 -1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.234 -9.068 0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.573 -8.532 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.082 -9.525 1.743 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.736 -8.991 -2.130 1.00 0.00 H new ATOM 0 HH TYR A 11 2.228 -10.360 0.847 1.00 0.00 H new ATOM 141 N SER A 12 -5.655 -10.508 -3.163 1.00 0.00 N ATOM 142 CA SER A 12 -6.799 -10.383 -4.050 1.00 0.00 C ATOM 143 C SER A 12 -7.476 -9.027 -3.843 1.00 0.00 C ATOM 144 O SER A 12 -7.446 -8.475 -2.745 1.00 0.00 O ATOM 145 CB SER A 12 -7.801 -11.517 -3.820 1.00 0.00 C ATOM 146 OG SER A 12 -7.502 -12.262 -2.644 1.00 0.00 O ATOM 0 H SER A 12 -5.391 -11.468 -2.940 1.00 0.00 H new ATOM 0 HA SER A 12 -6.443 -10.451 -5.078 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.806 -11.102 -3.741 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.798 -12.184 -4.682 1.00 0.00 H new ATOM 0 HG SER A 12 -8.165 -12.975 -2.531 1.00 0.00 H new ATOM 152 N SER A 13 -8.072 -8.528 -4.917 1.00 0.00 N ATOM 153 CA SER A 13 -8.754 -7.247 -4.867 1.00 0.00 C ATOM 154 C SER A 13 -9.485 -7.095 -3.531 1.00 0.00 C ATOM 155 O SER A 13 -9.768 -5.980 -3.098 1.00 0.00 O ATOM 156 CB SER A 13 -9.739 -7.102 -6.030 1.00 0.00 C ATOM 157 OG SER A 13 -11.010 -7.672 -5.726 1.00 0.00 O ATOM 0 H SER A 13 -8.096 -8.989 -5.827 1.00 0.00 H new ATOM 0 HA SER A 13 -8.007 -6.458 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.863 -6.046 -6.271 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.327 -7.585 -6.916 1.00 0.00 H new ATOM 0 HG SER A 13 -11.611 -7.558 -6.492 1.00 0.00 H new ATOM 163 N SER A 14 -9.767 -8.233 -2.914 1.00 0.00 N ATOM 164 CA SER A 14 -10.458 -8.240 -1.636 1.00 0.00 C ATOM 165 C SER A 14 -9.459 -8.016 -0.501 1.00 0.00 C ATOM 166 O SER A 14 -9.835 -7.572 0.584 1.00 0.00 O ATOM 167 CB SER A 14 -11.214 -9.555 -1.427 1.00 0.00 C ATOM 168 OG SER A 14 -11.988 -9.540 -0.230 1.00 0.00 O ATOM 0 H SER A 14 -9.529 -9.157 -3.275 1.00 0.00 H new ATOM 0 HA SER A 14 -11.186 -7.429 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.868 -9.737 -2.280 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.503 -10.380 -1.389 1.00 0.00 H new ATOM 0 HG SER A 14 -12.457 -10.395 -0.133 1.00 0.00 H new ATOM 174 N ASP A 15 -8.204 -8.333 -0.786 1.00 0.00 N ATOM 175 CA ASP A 15 -7.149 -8.171 0.199 1.00 0.00 C ATOM 176 C ASP A 15 -6.639 -6.730 0.161 1.00 0.00 C ATOM 177 O ASP A 15 -6.236 -6.184 1.188 1.00 0.00 O ATOM 178 CB ASP A 15 -5.969 -9.098 -0.102 1.00 0.00 C ATOM 179 CG ASP A 15 -5.919 -10.375 0.739 1.00 0.00 C ATOM 180 OD1 ASP A 15 -6.819 -11.220 0.542 1.00 0.00 O ATOM 181 OD2 ASP A 15 -4.982 -10.478 1.560 1.00 0.00 O ATOM 0 H ASP A 15 -7.895 -8.701 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.561 -8.416 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.004 -9.376 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.043 -8.544 0.051 1.00 0.00 H new ATOM 186 N VAL A 16 -6.674 -6.154 -1.030 1.00 0.00 N ATOM 187 CA VAL A 16 -6.220 -4.785 -1.215 1.00 0.00 C ATOM 188 C VAL A 16 -7.102 -3.846 -0.392 1.00 0.00 C ATOM 189 O VAL A 16 -6.636 -3.232 0.568 1.00 0.00 O ATOM 190 CB VAL A 16 -6.202 -4.437 -2.705 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.084 -2.925 -2.912 1.00 0.00 C ATOM 192 CG2 VAL A 16 -5.077 -5.178 -3.428 1.00 0.00 C ATOM 0 H VAL A 16 -7.010 -6.610 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.197 -4.669 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.148 -4.763 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.073 -2.704 -3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.934 -2.427 -2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.160 -2.567 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.087 -4.913 -4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.118 -4.898 -2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.223 -6.253 -3.323 1.00 0.00 H new ATOM 202 N SER A 17 -8.361 -3.761 -0.795 1.00 0.00 N ATOM 203 CA SER A 17 -9.312 -2.906 -0.107 1.00 0.00 C ATOM 204 C SER A 17 -9.133 -3.036 1.407 1.00 0.00 C ATOM 205 O SER A 17 -8.974 -2.036 2.106 1.00 0.00 O ATOM 206 CB SER A 17 -10.749 -3.251 -0.502 1.00 0.00 C ATOM 207 OG SER A 17 -11.696 -2.373 0.103 1.00 0.00 O ATOM 0 H SER A 17 -8.745 -4.271 -1.591 1.00 0.00 H new ATOM 0 HA SER A 17 -9.120 -1.875 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.849 -3.200 -1.586 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.969 -4.278 -0.210 1.00 0.00 H new ATOM 0 HG SER A 17 -12.601 -2.626 -0.176 1.00 0.00 H new ATOM 213 N THR A 18 -9.164 -4.277 1.870 1.00 0.00 N ATOM 214 CA THR A 18 -9.007 -4.551 3.288 1.00 0.00 C ATOM 215 C THR A 18 -7.850 -3.731 3.864 1.00 0.00 C ATOM 216 O THR A 18 -8.013 -3.044 4.871 1.00 0.00 O ATOM 217 CB THR A 18 -8.827 -6.060 3.462 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.154 -6.550 3.636 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.123 -6.419 4.771 1.00 0.00 C ATOM 0 H THR A 18 -9.296 -5.104 1.288 1.00 0.00 H new ATOM 0 HA THR A 18 -9.891 -4.248 3.849 1.00 0.00 H new ATOM 0 HB THR A 18 -8.256 -6.456 2.623 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.131 -7.523 3.754 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.021 -7.502 4.844 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.135 -5.959 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.711 -6.052 5.613 1.00 0.00 H new ATOM 227 N ALA A 19 -6.708 -3.832 3.201 1.00 0.00 N ATOM 228 CA ALA A 19 -5.524 -3.108 3.634 1.00 0.00 C ATOM 229 C ALA A 19 -5.812 -1.606 3.606 1.00 0.00 C ATOM 230 O ALA A 19 -5.449 -0.884 4.533 1.00 0.00 O ATOM 231 CB ALA A 19 -4.338 -3.493 2.748 1.00 0.00 C ATOM 0 H ALA A 19 -6.577 -4.404 2.367 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.264 -3.374 4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.450 -2.950 3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.157 -4.565 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.560 -3.238 1.712 1.00 0.00 H new ATOM 237 N GLN A 20 -6.459 -1.180 2.532 1.00 0.00 N ATOM 238 CA GLN A 20 -6.800 0.223 2.369 1.00 0.00 C ATOM 239 C GLN A 20 -7.643 0.705 3.551 1.00 0.00 C ATOM 240 O GLN A 20 -7.259 1.639 4.253 1.00 0.00 O ATOM 241 CB GLN A 20 -7.525 0.463 1.044 1.00 0.00 C ATOM 242 CG GLN A 20 -7.069 -0.539 -0.019 1.00 0.00 C ATOM 243 CD GLN A 20 -7.713 -0.233 -1.373 1.00 0.00 C ATOM 244 OE1 GLN A 20 -8.172 -1.112 -2.084 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.722 1.059 -1.688 1.00 0.00 N ATOM 0 H GLN A 20 -6.757 -1.783 1.765 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.876 0.800 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.601 0.376 1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.332 1.479 0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.984 -0.506 -0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.332 -1.550 0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.321 1.743 -1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.130 1.366 -2.571 1.00 0.00 H new ATOM 254 N ALA A 21 -8.777 0.045 3.735 1.00 0.00 N ATOM 255 CA ALA A 21 -9.679 0.394 4.819 1.00 0.00 C ATOM 256 C ALA A 21 -8.865 0.902 6.011 1.00 0.00 C ATOM 257 O ALA A 21 -9.281 1.830 6.702 1.00 0.00 O ATOM 258 CB ALA A 21 -10.541 -0.819 5.177 1.00 0.00 C ATOM 0 H ALA A 21 -9.092 -0.730 3.151 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.353 1.195 4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.218 -0.557 5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.121 -1.123 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.899 -1.642 5.490 1.00 0.00 H new ATOM 264 N ALA A 22 -7.718 0.270 6.215 1.00 0.00 N ATOM 265 CA ALA A 22 -6.841 0.646 7.311 1.00 0.00 C ATOM 266 C ALA A 22 -6.115 1.945 6.955 1.00 0.00 C ATOM 267 O ALA A 22 -6.179 2.921 7.700 1.00 0.00 O ATOM 268 CB ALA A 22 -5.873 -0.501 7.607 1.00 0.00 C ATOM 0 H ALA A 22 -7.376 -0.500 5.640 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.417 0.828 8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.215 -0.219 8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.438 -1.392 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.275 -0.711 6.720 1.00 0.00 H new ATOM 274 N GLY A 23 -5.441 1.914 5.814 1.00 0.00 N ATOM 275 CA GLY A 23 -4.703 3.077 5.351 1.00 0.00 C ATOM 276 C GLY A 23 -5.642 4.259 5.104 1.00 0.00 C ATOM 277 O GLY A 23 -5.331 5.391 5.471 1.00 0.00 O ATOM 0 H GLY A 23 -5.391 1.103 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.951 3.353 6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.171 2.832 4.432 1.00 0.00 H new ATOM 281 N TYR A 24 -6.773 3.956 4.484 1.00 0.00 N ATOM 282 CA TYR A 24 -7.759 4.980 4.184 1.00 0.00 C ATOM 283 C TYR A 24 -8.387 5.530 5.467 1.00 0.00 C ATOM 284 O TYR A 24 -8.286 6.723 5.749 1.00 0.00 O ATOM 285 CB TYR A 24 -8.845 4.291 3.355 1.00 0.00 C ATOM 286 CG TYR A 24 -9.578 5.223 2.388 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.998 5.561 1.182 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.817 5.728 2.723 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.688 6.439 0.273 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.507 6.605 1.814 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.908 6.919 0.633 1.00 0.00 C ATOM 292 OH TYR A 24 -11.559 7.748 -0.225 1.00 0.00 O ATOM 0 H TYR A 24 -7.028 3.016 4.181 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.296 5.814 3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.393 3.478 2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.572 3.841 4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.027 5.167 0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.270 5.465 3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.246 6.710 -0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.479 7.005 2.064 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.204 8.657 -0.135 1.00 0.00 H new ATOM 302 N LYS A 25 -9.020 4.634 6.209 1.00 0.00 N ATOM 303 CA LYS A 25 -9.664 5.014 7.455 1.00 0.00 C ATOM 304 C LYS A 25 -8.772 6.007 8.202 1.00 0.00 C ATOM 305 O LYS A 25 -9.166 7.150 8.431 1.00 0.00 O ATOM 306 CB LYS A 25 -10.021 3.772 8.274 1.00 0.00 C ATOM 307 CG LYS A 25 -10.664 4.161 9.607 1.00 0.00 C ATOM 308 CD LYS A 25 -12.052 4.766 9.392 1.00 0.00 C ATOM 309 CE LYS A 25 -12.783 4.947 10.723 1.00 0.00 C ATOM 310 NZ LYS A 25 -14.223 4.637 10.570 1.00 0.00 N ATOM 0 H LYS A 25 -9.101 3.645 5.971 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.609 5.519 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.705 3.142 7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.123 3.182 8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.742 3.282 10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.028 4.878 10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.959 5.729 8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.637 4.120 8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.343 4.295 11.478 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.661 5.971 11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.705 4.765 11.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.643 5.276 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.335 3.652 10.255 1.00 0.00 H new ATOM 324 N LEU A 26 -7.587 5.536 8.561 1.00 0.00 N ATOM 325 CA LEU A 26 -6.636 6.369 9.277 1.00 0.00 C ATOM 326 C LEU A 26 -6.346 7.627 8.456 1.00 0.00 C ATOM 327 O LEU A 26 -6.110 8.698 9.014 1.00 0.00 O ATOM 328 CB LEU A 26 -5.384 5.567 9.635 1.00 0.00 C ATOM 329 CG LEU A 26 -4.245 6.354 10.287 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.333 6.283 11.812 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.886 5.882 9.769 1.00 0.00 C ATOM 0 H LEU A 26 -7.264 4.588 8.369 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.058 6.698 10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.674 4.761 10.309 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.003 5.101 8.726 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.350 7.402 10.007 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.512 6.850 12.251 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.283 6.705 12.142 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.267 5.243 12.132 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.094 6.458 10.248 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.756 4.824 9.999 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.838 6.027 8.690 1.00 0.00 H new ATOM 343 N HIS A 27 -6.373 7.457 7.142 1.00 0.00 N ATOM 344 CA HIS A 27 -6.117 8.565 6.238 1.00 0.00 C ATOM 345 C HIS A 27 -7.258 9.578 6.331 1.00 0.00 C ATOM 346 O HIS A 27 -7.021 10.767 6.543 1.00 0.00 O ATOM 347 CB HIS A 27 -5.887 8.060 4.811 1.00 0.00 C ATOM 348 CG HIS A 27 -5.732 9.160 3.789 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.709 10.090 3.838 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.480 9.468 2.691 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.845 10.916 2.811 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.944 10.530 2.101 1.00 0.00 N ATOM 0 H HIS A 27 -6.568 6.568 6.682 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.200 9.075 6.533 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.993 7.436 4.797 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.724 7.425 4.522 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.360 8.938 2.358 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.199 11.749 2.577 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.296 10.982 1.257 1.00 0.00 H new ATOM 361 N GLU A 28 -8.471 9.073 6.170 1.00 0.00 N ATOM 362 CA GLU A 28 -9.650 9.919 6.235 1.00 0.00 C ATOM 363 C GLU A 28 -9.680 10.688 7.557 1.00 0.00 C ATOM 364 O GLU A 28 -10.253 11.774 7.635 1.00 0.00 O ATOM 365 CB GLU A 28 -10.927 9.097 6.050 1.00 0.00 C ATOM 366 CG GLU A 28 -10.599 7.624 5.792 1.00 0.00 C ATOM 367 CD GLU A 28 -11.876 6.796 5.644 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.955 7.423 5.584 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.744 5.554 5.595 1.00 0.00 O ATOM 0 H GLU A 28 -8.664 8.087 5.994 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.600 10.640 5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.552 9.184 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.503 9.497 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.997 7.535 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.000 7.232 6.614 1.00 0.00 H new ATOM 376 N ASP A 29 -9.056 10.095 8.564 1.00 0.00 N ATOM 377 CA ASP A 29 -9.003 10.711 9.879 1.00 0.00 C ATOM 378 C ASP A 29 -7.777 11.621 9.963 1.00 0.00 C ATOM 379 O ASP A 29 -7.689 12.472 10.847 1.00 0.00 O ATOM 380 CB ASP A 29 -8.884 9.654 10.978 1.00 0.00 C ATOM 381 CG ASP A 29 -10.197 8.966 11.360 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.967 8.654 10.426 1.00 0.00 O ATOM 383 OD2 ASP A 29 -10.400 8.769 12.577 1.00 0.00 O ATOM 0 H ASP A 29 -8.583 9.194 8.496 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.923 11.278 10.022 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.174 8.893 10.654 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.465 10.123 11.868 1.00 0.00 H new ATOM 388 N GLY A 30 -6.859 11.411 9.031 1.00 0.00 N ATOM 389 CA GLY A 30 -5.640 12.203 8.988 1.00 0.00 C ATOM 390 C GLY A 30 -4.681 11.792 10.106 1.00 0.00 C ATOM 391 O GLY A 30 -3.831 12.579 10.521 1.00 0.00 O ATOM 0 H GLY A 30 -6.934 10.704 8.300 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.153 12.076 8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.885 13.261 9.085 1.00 0.00 H new ATOM 395 N GLU A 31 -4.849 10.560 10.565 1.00 0.00 N ATOM 396 CA GLU A 31 -4.009 10.035 11.627 1.00 0.00 C ATOM 397 C GLU A 31 -2.941 9.104 11.049 1.00 0.00 C ATOM 398 O GLU A 31 -2.887 8.891 9.838 1.00 0.00 O ATOM 399 CB GLU A 31 -4.848 9.317 12.686 1.00 0.00 C ATOM 400 CG GLU A 31 -5.671 10.315 13.502 1.00 0.00 C ATOM 401 CD GLU A 31 -4.778 11.118 14.449 1.00 0.00 C ATOM 402 OE1 GLU A 31 -4.063 12.007 13.939 1.00 0.00 O ATOM 403 OE2 GLU A 31 -4.831 10.825 15.664 1.00 0.00 O ATOM 0 H GLU A 31 -5.555 9.910 10.220 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.508 10.872 12.114 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.513 8.600 12.204 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.195 8.750 13.350 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.197 10.993 12.830 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.430 9.783 14.076 1.00 0.00 H new ATOM 410 N THR A 32 -2.118 8.573 11.941 1.00 0.00 N ATOM 411 CA THR A 32 -1.056 7.668 11.535 1.00 0.00 C ATOM 412 C THR A 32 -1.136 6.361 12.325 1.00 0.00 C ATOM 413 O THR A 32 -1.898 6.258 13.285 1.00 0.00 O ATOM 414 CB THR A 32 0.277 8.400 11.705 1.00 0.00 C ATOM 415 OG1 THR A 32 0.218 8.927 13.027 1.00 0.00 O ATOM 416 CG2 THR A 32 0.383 9.640 10.813 1.00 0.00 C ATOM 0 H THR A 32 -2.165 8.752 12.944 1.00 0.00 H new ATOM 0 HA THR A 32 -1.158 7.383 10.488 1.00 0.00 H new ATOM 0 HB THR A 32 1.096 7.718 11.477 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.045 9.416 13.221 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.348 10.122 10.973 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.294 9.345 9.768 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.417 10.337 11.063 1.00 0.00 H new ATOM 424 N VAL A 33 -0.341 5.394 11.890 1.00 0.00 N ATOM 425 CA VAL A 33 -0.314 4.098 12.544 1.00 0.00 C ATOM 426 C VAL A 33 1.073 3.866 13.148 1.00 0.00 C ATOM 427 O VAL A 33 2.075 3.884 12.435 1.00 0.00 O ATOM 428 CB VAL A 33 -0.725 3.004 11.557 1.00 0.00 C ATOM 429 CG1 VAL A 33 -2.086 3.315 10.931 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.342 2.808 10.478 1.00 0.00 C ATOM 0 H VAL A 33 0.289 5.483 11.093 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.035 4.068 13.361 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.815 2.070 12.111 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.355 2.522 10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.841 3.380 11.715 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.033 4.265 10.398 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.024 2.025 9.790 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.480 3.739 9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.284 2.520 10.945 1.00 0.00 H new ATOM 440 N GLY A 34 1.086 3.653 14.456 1.00 0.00 N ATOM 441 CA GLY A 34 2.333 3.418 15.163 1.00 0.00 C ATOM 442 C GLY A 34 3.060 4.734 15.445 1.00 0.00 C ATOM 443 O GLY A 34 2.427 5.747 15.743 1.00 0.00 O ATOM 0 H GLY A 34 0.253 3.638 15.044 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.131 2.902 16.101 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.973 2.764 14.571 1.00 0.00 H new ATOM 447 N SER A 35 4.380 4.679 15.341 1.00 0.00 N ATOM 448 CA SER A 35 5.200 5.854 15.581 1.00 0.00 C ATOM 449 C SER A 35 5.560 6.521 14.252 1.00 0.00 C ATOM 450 O SER A 35 5.915 7.698 14.220 1.00 0.00 O ATOM 451 CB SER A 35 6.469 5.492 16.354 1.00 0.00 C ATOM 452 OG SER A 35 6.179 4.771 17.549 1.00 0.00 O ATOM 0 H SER A 35 4.902 3.838 15.094 1.00 0.00 H new ATOM 0 HA SER A 35 4.625 6.554 16.188 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.122 4.893 15.719 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.014 6.403 16.603 1.00 0.00 H new ATOM 0 HG SER A 35 7.015 4.557 18.013 1.00 0.00 H new ATOM 458 N ASN A 36 5.455 5.740 13.188 1.00 0.00 N ATOM 459 CA ASN A 36 5.765 6.241 11.858 1.00 0.00 C ATOM 460 C ASN A 36 4.691 7.244 11.432 1.00 0.00 C ATOM 461 O ASN A 36 3.914 7.716 12.261 1.00 0.00 O ATOM 462 CB ASN A 36 5.785 5.105 10.833 1.00 0.00 C ATOM 463 CG ASN A 36 7.219 4.727 10.461 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.180 5.132 11.095 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.311 3.931 9.399 1.00 0.00 N ATOM 0 H ASN A 36 5.160 4.764 13.218 1.00 0.00 H new ATOM 0 HA ASN A 36 6.748 6.711 11.895 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.270 4.235 11.239 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.241 5.408 9.938 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.226 3.623 9.070 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.466 3.628 8.914 1.00 0.00 H new ATOM 472 N SER A 37 4.680 7.539 10.141 1.00 0.00 N ATOM 473 CA SER A 37 3.715 8.477 9.595 1.00 0.00 C ATOM 474 C SER A 37 2.947 7.827 8.443 1.00 0.00 C ATOM 475 O SER A 37 2.782 8.428 7.383 1.00 0.00 O ATOM 476 CB SER A 37 4.402 9.759 9.118 1.00 0.00 C ATOM 477 OG SER A 37 4.987 9.603 7.829 1.00 0.00 O ATOM 0 H SER A 37 5.325 7.144 9.456 1.00 0.00 H new ATOM 0 HA SER A 37 3.014 8.745 10.385 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.675 10.571 9.090 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.173 10.045 9.834 1.00 0.00 H new ATOM 0 HG SER A 37 4.293 9.356 7.182 1.00 0.00 H new ATOM 483 N TYR A 38 2.496 6.605 8.691 1.00 0.00 N ATOM 484 CA TYR A 38 1.749 5.866 7.688 1.00 0.00 C ATOM 485 C TYR A 38 0.251 5.879 8.000 1.00 0.00 C ATOM 486 O TYR A 38 -0.144 5.865 9.164 1.00 0.00 O ATOM 487 CB TYR A 38 2.260 4.425 7.756 1.00 0.00 C ATOM 488 CG TYR A 38 3.706 4.255 7.287 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.680 5.133 7.717 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.036 3.223 6.431 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.040 4.973 7.275 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.398 3.063 5.989 1.00 0.00 C ATOM 493 CZ TYR A 38 6.332 3.946 6.432 1.00 0.00 C ATOM 494 OH TYR A 38 7.617 3.794 6.015 1.00 0.00 O ATOM 0 H TYR A 38 2.634 6.109 9.572 1.00 0.00 H new ATOM 0 HA TYR A 38 1.886 6.311 6.703 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.178 4.069 8.783 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.614 3.792 7.147 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.421 5.941 8.386 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.274 2.536 6.093 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.812 5.653 7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.671 2.260 5.321 1.00 0.00 H new ATOM 0 HH TYR A 38 8.211 3.755 6.793 1.00 0.00 H new ATOM 504 N PRO A 39 -0.563 5.905 6.910 1.00 0.00 N ATOM 505 CA PRO A 39 -0.013 5.921 5.566 1.00 0.00 C ATOM 506 C PRO A 39 0.552 7.300 5.220 1.00 0.00 C ATOM 507 O PRO A 39 0.817 8.107 6.109 1.00 0.00 O ATOM 508 CB PRO A 39 -1.167 5.509 4.665 1.00 0.00 C ATOM 509 CG PRO A 39 -2.432 5.729 5.479 1.00 0.00 C ATOM 510 CD PRO A 39 -2.023 5.923 6.931 1.00 0.00 C ATOM 0 HA PRO A 39 0.831 5.241 5.449 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.182 6.105 3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.073 4.466 4.363 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.974 6.602 5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.102 4.875 5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.402 6.865 7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.420 5.129 7.564 1.00 0.00 H new ATOM 518 N HIS A 40 0.720 7.527 3.926 1.00 0.00 N ATOM 519 CA HIS A 40 1.250 8.795 3.452 1.00 0.00 C ATOM 520 C HIS A 40 1.438 8.736 1.935 1.00 0.00 C ATOM 521 O HIS A 40 1.477 7.655 1.351 1.00 0.00 O ATOM 522 CB HIS A 40 2.536 9.159 4.196 1.00 0.00 C ATOM 523 CG HIS A 40 3.697 8.239 3.901 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.360 8.233 2.686 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.307 7.298 4.678 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.322 7.324 2.739 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.288 6.746 3.974 1.00 0.00 N ATOM 0 H HIS A 40 0.499 6.855 3.191 1.00 0.00 H new ATOM 0 HA HIS A 40 0.539 9.593 3.665 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.818 10.179 3.935 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.339 9.147 5.268 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.144 8.828 1.886 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.038 7.045 5.693 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.012 7.083 1.944 1.00 0.00 H new ATOM 536 N LYS A 41 1.553 9.914 1.339 1.00 0.00 N ATOM 537 CA LYS A 41 1.737 10.012 -0.099 1.00 0.00 C ATOM 538 C LYS A 41 2.731 8.941 -0.555 1.00 0.00 C ATOM 539 O LYS A 41 3.459 8.377 0.261 1.00 0.00 O ATOM 540 CB LYS A 41 2.141 11.434 -0.493 1.00 0.00 C ATOM 541 CG LYS A 41 1.228 11.979 -1.592 1.00 0.00 C ATOM 542 CD LYS A 41 1.768 13.297 -2.151 1.00 0.00 C ATOM 543 CE LYS A 41 1.569 14.438 -1.151 1.00 0.00 C ATOM 544 NZ LYS A 41 0.742 15.511 -1.748 1.00 0.00 N ATOM 0 H LYS A 41 1.522 10.809 1.827 1.00 0.00 H new ATOM 0 HA LYS A 41 0.798 9.818 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.093 12.085 0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.175 11.440 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.143 11.247 -2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.225 12.133 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.828 13.191 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.260 13.535 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.088 14.059 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.537 14.840 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.616 16.278 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.216 15.883 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.188 15.127 -2.012 1.00 0.00 H new ATOM 558 N TYR A 42 2.729 8.693 -1.856 1.00 0.00 N ATOM 559 CA TYR A 42 3.621 7.701 -2.431 1.00 0.00 C ATOM 560 C TYR A 42 4.052 8.102 -3.843 1.00 0.00 C ATOM 561 O TYR A 42 4.642 7.301 -4.566 1.00 0.00 O ATOM 562 CB TYR A 42 2.816 6.402 -2.505 1.00 0.00 C ATOM 563 CG TYR A 42 3.531 5.267 -3.240 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.412 5.148 -4.610 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.296 4.362 -2.534 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.085 4.080 -5.302 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.969 3.293 -3.226 1.00 0.00 C ATOM 568 CZ TYR A 42 4.831 3.206 -4.575 1.00 0.00 C ATOM 569 OH TYR A 42 5.467 2.197 -5.229 1.00 0.00 O ATOM 0 H TYR A 42 2.123 9.162 -2.529 1.00 0.00 H new ATOM 0 HA TYR A 42 4.522 7.600 -1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.581 6.074 -1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.867 6.603 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.814 5.857 -5.163 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.390 4.455 -1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.999 3.975 -6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.570 2.577 -2.685 1.00 0.00 H new ATOM 0 HH TYR A 42 5.707 2.493 -6.132 1.00 0.00 H new ATOM 579 N ASN A 43 3.740 9.340 -4.193 1.00 0.00 N ATOM 580 CA ASN A 43 4.087 9.858 -5.505 1.00 0.00 C ATOM 581 C ASN A 43 4.977 8.846 -6.229 1.00 0.00 C ATOM 582 O ASN A 43 6.200 8.976 -6.227 1.00 0.00 O ATOM 583 CB ASN A 43 4.861 11.172 -5.393 1.00 0.00 C ATOM 584 CG ASN A 43 3.936 12.373 -5.601 1.00 0.00 C ATOM 585 OD1 ASN A 43 4.070 13.136 -6.544 1.00 0.00 O ATOM 586 ND2 ASN A 43 2.993 12.497 -4.672 1.00 0.00 N ATOM 0 H ASN A 43 3.250 10.001 -3.590 1.00 0.00 H new ATOM 0 HA ASN A 43 3.161 10.031 -6.054 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.333 11.238 -4.413 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.660 11.192 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.325 13.266 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.937 11.823 -3.909 1.00 0.00 H new ATOM 593 N ASN A 44 4.330 7.858 -6.829 1.00 0.00 N ATOM 594 CA ASN A 44 5.048 6.824 -7.554 1.00 0.00 C ATOM 595 C ASN A 44 5.985 7.477 -8.571 1.00 0.00 C ATOM 596 O ASN A 44 5.823 8.649 -8.906 1.00 0.00 O ATOM 597 CB ASN A 44 4.082 5.914 -8.316 1.00 0.00 C ATOM 598 CG ASN A 44 3.568 6.600 -9.584 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.523 7.227 -9.602 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.360 6.445 -10.642 1.00 0.00 N ATOM 0 H ASN A 44 3.316 7.752 -6.828 1.00 0.00 H new ATOM 0 HA ASN A 44 5.607 6.231 -6.830 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.585 4.984 -8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.241 5.651 -7.674 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.104 6.864 -11.536 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.223 5.907 -10.559 1.00 0.00 H new ATOM 607 N TYR A 45 6.944 6.690 -9.035 1.00 0.00 N ATOM 608 CA TYR A 45 7.908 7.177 -10.008 1.00 0.00 C ATOM 609 C TYR A 45 8.727 6.025 -10.593 1.00 0.00 C ATOM 610 O TYR A 45 9.030 6.017 -11.786 1.00 0.00 O ATOM 611 CB TYR A 45 8.843 8.115 -9.242 1.00 0.00 C ATOM 612 CG TYR A 45 8.433 9.588 -9.302 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.398 9.984 -10.125 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.098 10.521 -8.532 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.012 11.370 -10.181 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.713 11.907 -8.588 1.00 0.00 C ATOM 617 CZ TYR A 45 7.689 12.263 -9.410 1.00 0.00 C ATOM 618 OH TYR A 45 7.324 13.572 -9.463 1.00 0.00 O ATOM 0 H TYR A 45 7.075 5.718 -8.755 1.00 0.00 H new ATOM 0 HA TYR A 45 7.401 7.675 -10.834 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.881 7.801 -8.199 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.852 8.013 -9.642 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.878 9.254 -10.727 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.907 10.211 -7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.204 11.693 -10.820 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.225 12.647 -7.991 1.00 0.00 H new ATOM 0 HH TYR A 45 7.893 14.095 -8.860 1.00 0.00 H new ATOM 628 N GLU A 46 9.062 5.080 -9.728 1.00 0.00 N ATOM 629 CA GLU A 46 9.840 3.926 -10.143 1.00 0.00 C ATOM 630 C GLU A 46 9.311 3.381 -11.472 1.00 0.00 C ATOM 631 O GLU A 46 10.004 2.631 -12.158 1.00 0.00 O ATOM 632 CB GLU A 46 9.834 2.842 -9.063 1.00 0.00 C ATOM 633 CG GLU A 46 10.708 3.247 -7.875 1.00 0.00 C ATOM 634 CD GLU A 46 11.154 4.706 -7.994 1.00 0.00 C ATOM 635 OE1 GLU A 46 10.402 5.572 -7.499 1.00 0.00 O ATOM 636 OE2 GLU A 46 12.238 4.921 -8.578 1.00 0.00 O ATOM 0 H GLU A 46 8.808 5.090 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 46 10.873 4.241 -10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.813 2.666 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.197 1.904 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.154 3.107 -6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.583 2.599 -7.825 1.00 0.00 H new ATOM 643 N GLY A 47 8.089 3.778 -11.794 1.00 0.00 N ATOM 644 CA GLY A 47 7.460 3.338 -13.027 1.00 0.00 C ATOM 645 C GLY A 47 6.347 2.328 -12.744 1.00 0.00 C ATOM 646 O GLY A 47 6.320 1.247 -13.330 1.00 0.00 O ATOM 0 H GLY A 47 7.518 4.400 -11.222 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.050 4.198 -13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.207 2.888 -13.680 1.00 0.00 H new ATOM 650 N PHE A 48 5.453 2.716 -11.846 1.00 0.00 N ATOM 651 CA PHE A 48 4.339 1.858 -11.478 1.00 0.00 C ATOM 652 C PHE A 48 3.077 2.236 -12.255 1.00 0.00 C ATOM 653 O PHE A 48 2.774 3.417 -12.419 1.00 0.00 O ATOM 654 CB PHE A 48 4.086 2.069 -9.984 1.00 0.00 C ATOM 655 CG PHE A 48 5.169 1.474 -9.080 1.00 0.00 C ATOM 656 CD1 PHE A 48 5.541 0.175 -9.230 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.758 2.245 -8.126 1.00 0.00 C ATOM 658 CE1 PHE A 48 6.545 -0.377 -8.391 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.761 1.693 -7.288 1.00 0.00 C ATOM 660 CZ PHE A 48 7.134 0.394 -7.437 1.00 0.00 C ATOM 0 H PHE A 48 5.477 3.614 -11.362 1.00 0.00 H new ATOM 0 HA PHE A 48 4.578 0.819 -11.707 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.009 3.138 -9.786 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.125 1.626 -9.722 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.073 -0.437 -9.987 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.462 3.277 -8.007 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.841 -1.409 -8.510 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.229 2.305 -6.531 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.897 -0.026 -6.799 1.00 0.00 H new ATOM 670 N ASP A 49 2.374 1.211 -12.714 1.00 0.00 N ATOM 671 CA ASP A 49 1.151 1.421 -13.470 1.00 0.00 C ATOM 672 C ASP A 49 -0.052 1.074 -12.591 1.00 0.00 C ATOM 673 O ASP A 49 -0.863 0.222 -12.950 1.00 0.00 O ATOM 674 CB ASP A 49 1.108 0.521 -14.707 1.00 0.00 C ATOM 675 CG ASP A 49 2.472 0.185 -15.311 1.00 0.00 C ATOM 676 OD1 ASP A 49 3.177 -0.643 -14.695 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.781 0.765 -16.375 1.00 0.00 O ATOM 0 H ASP A 49 2.628 0.233 -12.577 1.00 0.00 H new ATOM 0 HA ASP A 49 1.121 2.465 -13.782 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.605 -0.410 -14.443 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.500 1.007 -15.470 1.00 0.00 H new ATOM 682 N PHE A 50 -0.130 1.752 -11.456 1.00 0.00 N ATOM 683 CA PHE A 50 -1.221 1.526 -10.523 1.00 0.00 C ATOM 684 C PHE A 50 -2.577 1.672 -11.218 1.00 0.00 C ATOM 685 O PHE A 50 -2.889 2.731 -11.758 1.00 0.00 O ATOM 686 CB PHE A 50 -1.103 2.592 -9.431 1.00 0.00 C ATOM 687 CG PHE A 50 0.166 2.480 -8.585 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.834 1.297 -8.515 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.627 3.563 -7.904 1.00 0.00 C ATOM 690 CE1 PHE A 50 2.013 1.193 -7.730 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.806 3.459 -7.120 1.00 0.00 C ATOM 692 CZ PHE A 50 2.474 2.276 -7.049 1.00 0.00 C ATOM 0 H PHE A 50 0.544 2.458 -11.161 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.159 0.517 -10.115 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.131 3.578 -9.896 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.971 2.523 -8.776 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.468 0.437 -9.056 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.096 4.502 -7.960 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.543 0.254 -7.674 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.173 4.319 -6.580 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.370 2.197 -6.452 1.00 0.00 H new ATOM 702 N SER A 51 -3.343 0.592 -11.181 1.00 0.00 N ATOM 703 CA SER A 51 -4.658 0.586 -11.800 1.00 0.00 C ATOM 704 C SER A 51 -5.553 1.634 -11.137 1.00 0.00 C ATOM 705 O SER A 51 -6.705 1.811 -11.533 1.00 0.00 O ATOM 706 CB SER A 51 -5.303 -0.798 -11.710 1.00 0.00 C ATOM 707 OG SER A 51 -5.570 -1.176 -10.362 1.00 0.00 O ATOM 0 H SER A 51 -3.079 -0.285 -10.732 1.00 0.00 H new ATOM 0 HA SER A 51 -4.541 0.834 -12.855 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.233 -0.802 -12.279 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.645 -1.535 -12.170 1.00 0.00 H new ATOM 0 HG SER A 51 -5.983 -2.065 -10.347 1.00 0.00 H new ATOM 713 N VAL A 52 -4.991 2.301 -10.140 1.00 0.00 N ATOM 714 CA VAL A 52 -5.725 3.327 -9.418 1.00 0.00 C ATOM 715 C VAL A 52 -5.158 4.702 -9.776 1.00 0.00 C ATOM 716 O VAL A 52 -3.975 4.826 -10.090 1.00 0.00 O ATOM 717 CB VAL A 52 -5.687 3.037 -7.915 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.179 1.619 -7.617 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.283 3.262 -7.350 1.00 0.00 C ATOM 0 H VAL A 52 -4.036 2.151 -9.815 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.775 3.323 -9.711 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.363 3.735 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.142 1.439 -6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.205 1.509 -7.968 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.541 0.898 -8.128 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.283 3.049 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.578 2.599 -7.852 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.987 4.298 -7.514 1.00 0.00 H new ATOM 729 N SER A 53 -6.028 5.698 -9.718 1.00 0.00 N ATOM 730 CA SER A 53 -5.629 7.059 -10.033 1.00 0.00 C ATOM 731 C SER A 53 -5.030 7.729 -8.795 1.00 0.00 C ATOM 732 O SER A 53 -4.953 7.117 -7.730 1.00 0.00 O ATOM 733 CB SER A 53 -6.814 7.874 -10.555 1.00 0.00 C ATOM 734 OG SER A 53 -7.506 7.199 -11.602 1.00 0.00 O ATOM 0 H SER A 53 -7.008 5.590 -9.458 1.00 0.00 H new ATOM 0 HA SER A 53 -4.875 7.020 -10.819 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.504 8.076 -9.736 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.459 8.838 -10.918 1.00 0.00 H new ATOM 0 HG SER A 53 -8.256 7.751 -11.907 1.00 0.00 H new ATOM 740 N SER A 54 -4.619 8.975 -8.976 1.00 0.00 N ATOM 741 CA SER A 54 -4.028 9.734 -7.886 1.00 0.00 C ATOM 742 C SER A 54 -5.125 10.432 -7.080 1.00 0.00 C ATOM 743 O SER A 54 -6.260 10.549 -7.539 1.00 0.00 O ATOM 744 CB SER A 54 -3.021 10.760 -8.412 1.00 0.00 C ATOM 745 OG SER A 54 -3.549 11.516 -9.499 1.00 0.00 O ATOM 0 H SER A 54 -4.683 9.478 -9.861 1.00 0.00 H new ATOM 0 HA SER A 54 -3.494 9.041 -7.236 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.736 11.435 -7.605 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.115 10.247 -8.733 1.00 0.00 H new ATOM 0 HG SER A 54 -2.878 12.161 -9.806 1.00 0.00 H new ATOM 751 N PRO A 55 -4.738 10.889 -5.858 1.00 0.00 N ATOM 752 CA PRO A 55 -3.374 10.708 -5.390 1.00 0.00 C ATOM 753 C PRO A 55 -3.127 9.259 -4.964 1.00 0.00 C ATOM 754 O PRO A 55 -4.049 8.444 -4.960 1.00 0.00 O ATOM 755 CB PRO A 55 -3.218 11.698 -4.247 1.00 0.00 C ATOM 756 CG PRO A 55 -4.629 12.063 -3.815 1.00 0.00 C ATOM 757 CD PRO A 55 -5.585 11.586 -4.896 1.00 0.00 C ATOM 0 HA PRO A 55 -2.634 10.896 -6.168 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.659 11.257 -3.422 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.667 12.582 -4.569 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.869 11.596 -2.860 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.719 13.140 -3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.347 10.923 -4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.107 12.423 -5.361 1.00 0.00 H new ATOM 765 N TYR A 56 -1.879 8.982 -4.617 1.00 0.00 N ATOM 766 CA TYR A 56 -1.500 7.646 -4.192 1.00 0.00 C ATOM 767 C TYR A 56 -1.018 7.650 -2.739 1.00 0.00 C ATOM 768 O TYR A 56 -0.109 8.399 -2.385 1.00 0.00 O ATOM 769 CB TYR A 56 -0.341 7.227 -5.099 1.00 0.00 C ATOM 770 CG TYR A 56 -0.767 6.865 -6.524 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.063 6.462 -6.776 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.146 6.940 -7.556 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.463 6.121 -8.116 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.255 6.599 -8.896 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.539 6.207 -9.111 1.00 0.00 C ATOM 776 OH TYR A 56 -1.918 5.884 -10.376 1.00 0.00 O ATOM 0 H TYR A 56 -1.117 9.660 -4.622 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.350 6.967 -4.259 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.385 8.039 -5.143 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.165 6.371 -4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.777 6.403 -5.968 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.160 7.254 -7.359 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.474 5.804 -8.327 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.449 6.653 -9.713 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.888 5.745 -10.401 1.00 0.00 H new ATOM 786 N TYR A 57 -1.649 6.804 -1.938 1.00 0.00 N ATOM 787 CA TYR A 57 -1.297 6.700 -0.533 1.00 0.00 C ATOM 788 C TYR A 57 -0.631 5.355 -0.233 1.00 0.00 C ATOM 789 O TYR A 57 -1.235 4.302 -0.427 1.00 0.00 O ATOM 790 CB TYR A 57 -2.614 6.787 0.240 1.00 0.00 C ATOM 791 CG TYR A 57 -3.418 8.058 -0.041 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.806 9.145 -0.632 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.755 8.118 0.296 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.561 10.341 -0.897 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.511 9.314 0.030 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.877 10.368 -0.552 1.00 0.00 C ATOM 797 OH TYR A 57 -5.591 11.497 -0.802 1.00 0.00 O ATOM 0 H TYR A 57 -2.402 6.184 -2.236 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.596 7.487 -0.254 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.226 5.920 -0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.401 6.733 1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.760 9.098 -0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.234 7.268 0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.094 11.198 -1.359 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.558 9.373 0.287 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.998 12.276 -0.755 1.00 0.00 H new ATOM 807 N GLU A 58 0.605 5.435 0.237 1.00 0.00 N ATOM 808 CA GLU A 58 1.360 4.238 0.567 1.00 0.00 C ATOM 809 C GLU A 58 0.889 3.665 1.905 1.00 0.00 C ATOM 810 O GLU A 58 0.632 4.412 2.849 1.00 0.00 O ATOM 811 CB GLU A 58 2.861 4.526 0.592 1.00 0.00 C ATOM 812 CG GLU A 58 3.232 5.408 1.786 1.00 0.00 C ATOM 813 CD GLU A 58 3.225 4.601 3.087 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.734 3.460 3.050 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.711 5.144 4.089 1.00 0.00 O ATOM 0 H GLU A 58 1.103 6.311 0.397 1.00 0.00 H new ATOM 0 HA GLU A 58 1.180 3.493 -0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.414 3.588 0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.155 5.020 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.219 5.843 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.528 6.236 1.864 1.00 0.00 H new ATOM 822 N TRP A 59 0.789 2.344 1.946 1.00 0.00 N ATOM 823 CA TRP A 59 0.353 1.663 3.152 1.00 0.00 C ATOM 824 C TRP A 59 0.820 0.208 3.068 1.00 0.00 C ATOM 825 O TRP A 59 0.756 -0.408 2.006 1.00 0.00 O ATOM 826 CB TRP A 59 -1.159 1.796 3.340 1.00 0.00 C ATOM 827 CG TRP A 59 -1.721 0.944 4.482 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.373 -0.222 4.397 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.654 1.244 5.892 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.729 -0.695 5.643 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.277 0.225 6.582 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.083 2.340 6.563 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.391 0.201 7.977 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.205 2.301 7.957 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.831 1.283 8.666 1.00 0.00 C ATOM 0 H TRP A 59 1.003 1.727 1.162 1.00 0.00 H new ATOM 0 HA TRP A 59 0.797 2.121 4.036 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.401 2.842 3.528 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.657 1.515 2.412 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.593 -0.729 3.469 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.232 -1.561 5.839 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.589 3.148 6.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.884 -0.609 8.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.783 3.120 8.521 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.885 1.326 9.744 1.00 0.00 H new ATOM 846 N PRO A 60 1.291 -0.312 4.234 1.00 0.00 N ATOM 847 CA PRO A 60 1.768 -1.682 4.302 1.00 0.00 C ATOM 848 C PRO A 60 0.601 -2.671 4.292 1.00 0.00 C ATOM 849 O PRO A 60 -0.412 -2.448 4.954 1.00 0.00 O ATOM 850 CB PRO A 60 2.592 -1.749 5.577 1.00 0.00 C ATOM 851 CG PRO A 60 2.166 -0.552 6.411 1.00 0.00 C ATOM 852 CD PRO A 60 1.382 0.388 5.512 1.00 0.00 C ATOM 0 HA PRO A 60 2.372 -1.960 3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.410 -2.682 6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.659 -1.711 5.355 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.554 -0.873 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.038 -0.045 6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.393 0.595 5.922 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.889 1.347 5.403 1.00 0.00 H new ATOM 860 N ILE A 61 0.780 -3.743 3.536 1.00 0.00 N ATOM 861 CA ILE A 61 -0.246 -4.766 3.431 1.00 0.00 C ATOM 862 C ILE A 61 0.205 -6.015 4.192 1.00 0.00 C ATOM 863 O ILE A 61 1.146 -6.692 3.779 1.00 0.00 O ATOM 864 CB ILE A 61 -0.592 -5.032 1.964 1.00 0.00 C ATOM 865 CG1 ILE A 61 -1.955 -5.714 1.837 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.516 -5.832 1.276 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.335 -5.910 0.368 1.00 0.00 C ATOM 0 H ILE A 61 1.621 -3.926 2.989 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.171 -4.425 3.895 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.663 -4.073 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.931 -6.680 2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.715 -5.112 2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.245 -6.007 0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.450 -5.271 1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.643 -6.788 1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.308 -6.397 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.382 -4.941 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.586 -6.532 -0.122 1.00 0.00 H new ATOM 879 N LEU A 62 -0.486 -6.282 5.290 1.00 0.00 N ATOM 880 CA LEU A 62 -0.167 -7.436 6.113 1.00 0.00 C ATOM 881 C LEU A 62 -0.946 -8.650 5.602 1.00 0.00 C ATOM 882 O LEU A 62 -2.176 -8.662 5.631 1.00 0.00 O ATOM 883 CB LEU A 62 -0.414 -7.126 7.590 1.00 0.00 C ATOM 884 CG LEU A 62 0.295 -5.887 8.142 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.215 -5.543 9.543 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.814 -6.065 8.113 1.00 0.00 C ATOM 0 H LEU A 62 -1.266 -5.719 5.629 1.00 0.00 H new ATOM 0 HA LEU A 62 0.893 -7.679 6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.487 -7.004 7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.105 -7.990 8.179 1.00 0.00 H new ATOM 0 HG LEU A 62 0.058 -5.042 7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.305 -4.659 9.912 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.286 -5.344 9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.028 -6.381 10.214 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.293 -5.170 8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.091 -6.926 8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.142 -6.226 7.086 1.00 0.00 H new ATOM 898 N SER A 63 -0.198 -9.644 5.146 1.00 0.00 N ATOM 899 CA SER A 63 -0.802 -10.861 4.630 1.00 0.00 C ATOM 900 C SER A 63 -1.663 -11.516 5.710 1.00 0.00 C ATOM 901 O SER A 63 -2.471 -12.396 5.416 1.00 0.00 O ATOM 902 CB SER A 63 0.266 -11.839 4.135 1.00 0.00 C ATOM 903 OG SER A 63 -0.302 -13.066 3.687 1.00 0.00 O ATOM 0 H SER A 63 0.822 -9.631 5.123 1.00 0.00 H new ATOM 0 HA SER A 63 -1.434 -10.597 3.782 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.828 -11.381 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.975 -12.039 4.939 1.00 0.00 H new ATOM 0 HG SER A 63 -1.215 -13.149 4.033 1.00 0.00 H new ATOM 909 N SER A 64 -1.462 -11.063 6.939 1.00 0.00 N ATOM 910 CA SER A 64 -2.210 -11.595 8.065 1.00 0.00 C ATOM 911 C SER A 64 -3.620 -11.001 8.084 1.00 0.00 C ATOM 912 O SER A 64 -4.517 -11.543 8.727 1.00 0.00 O ATOM 913 CB SER A 64 -1.496 -11.307 9.387 1.00 0.00 C ATOM 914 OG SER A 64 -0.084 -11.212 9.221 1.00 0.00 O ATOM 0 H SER A 64 -0.791 -10.333 7.179 1.00 0.00 H new ATOM 0 HA SER A 64 -2.279 -12.677 7.949 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.875 -10.376 9.808 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.725 -12.097 10.102 1.00 0.00 H new ATOM 0 HG SER A 64 0.335 -11.026 10.087 1.00 0.00 H new ATOM 920 N GLY A 65 -3.772 -9.895 7.370 1.00 0.00 N ATOM 921 CA GLY A 65 -5.057 -9.222 7.297 1.00 0.00 C ATOM 922 C GLY A 65 -5.264 -8.303 8.503 1.00 0.00 C ATOM 923 O GLY A 65 -6.372 -8.203 9.028 1.00 0.00 O ATOM 0 H GLY A 65 -3.026 -9.448 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.115 -8.640 6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.857 -9.961 7.257 1.00 0.00 H new ATOM 927 N ASP A 66 -4.181 -7.657 8.907 1.00 0.00 N ATOM 928 CA ASP A 66 -4.231 -6.750 10.042 1.00 0.00 C ATOM 929 C ASP A 66 -4.069 -5.311 9.547 1.00 0.00 C ATOM 930 O ASP A 66 -4.003 -5.068 8.343 1.00 0.00 O ATOM 931 CB ASP A 66 -3.100 -7.041 11.030 1.00 0.00 C ATOM 932 CG ASP A 66 -3.275 -8.317 11.856 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.383 -8.890 11.786 1.00 0.00 O ATOM 934 OD2 ASP A 66 -2.296 -8.690 12.538 1.00 0.00 O ATOM 0 H ASP A 66 -3.264 -7.743 8.469 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.190 -6.888 10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.163 -7.110 10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.006 -6.195 11.711 1.00 0.00 H new ATOM 939 N VAL A 67 -4.008 -4.395 10.502 1.00 0.00 N ATOM 940 CA VAL A 67 -3.854 -2.986 10.179 1.00 0.00 C ATOM 941 C VAL A 67 -2.509 -2.490 10.710 1.00 0.00 C ATOM 942 O VAL A 67 -2.372 -2.211 11.901 1.00 0.00 O ATOM 943 CB VAL A 67 -5.042 -2.191 10.723 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.698 -0.706 10.848 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.284 -2.395 9.852 1.00 0.00 C ATOM 0 H VAL A 67 -4.062 -4.600 11.500 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.851 -2.840 9.099 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.267 -2.567 11.721 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.560 -0.164 11.237 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.855 -0.584 11.529 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.433 -0.310 9.868 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.114 -1.819 10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.075 -2.059 8.836 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.549 -3.452 9.838 1.00 0.00 H new ATOM 955 N TYR A 68 -1.548 -2.393 9.802 1.00 0.00 N ATOM 956 CA TYR A 68 -0.218 -1.935 10.165 1.00 0.00 C ATOM 957 C TYR A 68 -0.287 -0.847 11.239 1.00 0.00 C ATOM 958 O TYR A 68 -1.006 0.139 11.084 1.00 0.00 O ATOM 959 CB TYR A 68 0.385 -1.339 8.891 1.00 0.00 C ATOM 960 CG TYR A 68 1.681 -0.560 9.123 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.732 -1.152 9.793 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.801 0.735 8.659 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.952 -0.419 10.010 1.00 0.00 C ATOM 964 CE2 TYR A 68 3.021 1.467 8.876 1.00 0.00 C ATOM 965 CZ TYR A 68 4.036 0.854 9.541 1.00 0.00 C ATOM 966 OH TYR A 68 5.189 1.547 9.746 1.00 0.00 O ATOM 0 H TYR A 68 -1.665 -2.624 8.815 1.00 0.00 H new ATOM 0 HA TYR A 68 0.376 -2.758 10.564 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.579 -2.144 8.182 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.348 -0.677 8.430 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.639 -2.165 10.155 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.979 1.199 8.133 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.782 -0.870 10.534 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.128 2.481 8.519 1.00 0.00 H new ATOM 0 HH TYR A 68 5.810 1.374 9.008 1.00 0.00 H new ATOM 976 N SER A 69 0.469 -1.064 12.305 1.00 0.00 N ATOM 977 CA SER A 69 0.503 -0.115 13.406 1.00 0.00 C ATOM 978 C SER A 69 1.860 0.592 13.445 1.00 0.00 C ATOM 979 O SER A 69 2.463 0.723 14.508 1.00 0.00 O ATOM 980 CB SER A 69 0.227 -0.809 14.740 1.00 0.00 C ATOM 981 OG SER A 69 1.401 -1.403 15.287 1.00 0.00 O ATOM 0 H SER A 69 1.063 -1.883 12.430 1.00 0.00 H new ATOM 0 HA SER A 69 -0.281 0.625 13.244 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.177 -0.085 15.448 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.535 -1.576 14.599 1.00 0.00 H new ATOM 0 HG SER A 69 2.051 -0.703 15.504 1.00 0.00 H new ATOM 987 N GLY A 70 2.299 1.027 12.273 1.00 0.00 N ATOM 988 CA GLY A 70 3.573 1.717 12.161 1.00 0.00 C ATOM 989 C GLY A 70 4.739 0.729 12.230 1.00 0.00 C ATOM 990 O GLY A 70 4.701 -0.230 13.000 1.00 0.00 O ATOM 0 H GLY A 70 1.795 0.915 11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.612 2.266 11.220 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.665 2.450 12.962 1.00 0.00 H new ATOM 994 N GLY A 71 5.748 0.997 11.415 1.00 0.00 N ATOM 995 CA GLY A 71 6.923 0.143 11.374 1.00 0.00 C ATOM 996 C GLY A 71 7.620 0.233 10.014 1.00 0.00 C ATOM 997 O GLY A 71 7.640 1.294 9.392 1.00 0.00 O ATOM 0 H GLY A 71 5.777 1.793 10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.617 0.435 12.162 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.634 -0.889 11.571 1.00 0.00 H new ATOM 1001 N SER A 72 8.174 -0.894 9.593 1.00 0.00 N ATOM 1002 CA SER A 72 8.869 -0.956 8.319 1.00 0.00 C ATOM 1003 C SER A 72 8.368 -2.152 7.507 1.00 0.00 C ATOM 1004 O SER A 72 9.162 -2.975 7.053 1.00 0.00 O ATOM 1005 CB SER A 72 10.383 -1.048 8.521 1.00 0.00 C ATOM 1006 OG SER A 72 11.025 0.208 8.321 1.00 0.00 O ATOM 0 H SER A 72 8.156 -1.772 10.112 1.00 0.00 H new ATOM 0 HA SER A 72 8.658 -0.038 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.593 -1.406 9.529 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.797 -1.781 7.829 1.00 0.00 H new ATOM 0 HG SER A 72 11.990 0.108 8.461 1.00 0.00 H new ATOM 1012 N PRO A 73 7.019 -2.211 7.345 1.00 0.00 N ATOM 1013 CA PRO A 73 6.403 -3.292 6.594 1.00 0.00 C ATOM 1014 C PRO A 73 6.611 -3.106 5.090 1.00 0.00 C ATOM 1015 O PRO A 73 5.675 -3.254 4.307 1.00 0.00 O ATOM 1016 CB PRO A 73 4.938 -3.267 6.999 1.00 0.00 C ATOM 1017 CG PRO A 73 4.695 -1.891 7.597 1.00 0.00 C ATOM 1018 CD PRO A 73 6.049 -1.254 7.867 1.00 0.00 C ATOM 0 HA PRO A 73 6.847 -4.263 6.814 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.292 -3.439 6.138 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.719 -4.052 7.723 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.113 -1.275 6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.120 -1.972 8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.139 -0.288 7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.199 -1.079 8.932 1.00 0.00 H new ATOM 1026 N GLY A 74 7.845 -2.782 4.732 1.00 0.00 N ATOM 1027 CA GLY A 74 8.188 -2.573 3.335 1.00 0.00 C ATOM 1028 C GLY A 74 7.880 -3.819 2.503 1.00 0.00 C ATOM 1029 O GLY A 74 7.069 -3.768 1.579 1.00 0.00 O ATOM 0 H GLY A 74 8.619 -2.659 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.630 -1.723 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.246 -2.327 3.250 1.00 0.00 H new ATOM 1033 N ALA A 75 8.545 -4.908 2.859 1.00 0.00 N ATOM 1034 CA ALA A 75 8.353 -6.165 2.157 1.00 0.00 C ATOM 1035 C ALA A 75 7.026 -6.122 1.395 1.00 0.00 C ATOM 1036 O ALA A 75 6.997 -6.320 0.181 1.00 0.00 O ATOM 1037 CB ALA A 75 8.414 -7.323 3.155 1.00 0.00 C ATOM 0 H ALA A 75 9.218 -4.946 3.625 1.00 0.00 H new ATOM 0 HA ALA A 75 9.148 -6.321 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.270 -8.266 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.386 -7.328 3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.629 -7.201 3.902 1.00 0.00 H new ATOM 1043 N ASP A 76 5.962 -5.860 2.138 1.00 0.00 N ATOM 1044 CA ASP A 76 4.637 -5.787 1.548 1.00 0.00 C ATOM 1045 C ASP A 76 4.023 -4.418 1.849 1.00 0.00 C ATOM 1046 O ASP A 76 3.757 -4.094 3.005 1.00 0.00 O ATOM 1047 CB ASP A 76 3.714 -6.858 2.134 1.00 0.00 C ATOM 1048 CG ASP A 76 4.087 -8.298 1.779 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.770 -8.470 0.747 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.681 -9.196 2.548 1.00 0.00 O ATOM 0 H ASP A 76 5.990 -5.695 3.144 1.00 0.00 H new ATOM 0 HA ASP A 76 4.737 -5.944 0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.709 -6.757 3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.697 -6.667 1.791 1.00 0.00 H new ATOM 1055 N ARG A 77 3.817 -3.652 0.788 1.00 0.00 N ATOM 1056 CA ARG A 77 3.240 -2.325 0.924 1.00 0.00 C ATOM 1057 C ARG A 77 2.223 -2.072 -0.191 1.00 0.00 C ATOM 1058 O ARG A 77 2.405 -2.528 -1.319 1.00 0.00 O ATOM 1059 CB ARG A 77 4.323 -1.246 0.871 1.00 0.00 C ATOM 1060 CG ARG A 77 5.437 -1.536 1.879 1.00 0.00 C ATOM 1061 CD ARG A 77 5.363 -0.577 3.069 1.00 0.00 C ATOM 1062 NE ARG A 77 6.597 0.239 3.138 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.367 0.345 4.229 1.00 0.00 C ATOM 1064 NH1 ARG A 77 7.035 -0.311 5.349 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.468 1.108 4.201 1.00 0.00 N ATOM 0 H ARG A 77 4.039 -3.925 -0.169 1.00 0.00 H new ATOM 0 HA ARG A 77 2.742 -2.277 1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.742 -1.195 -0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.881 -0.272 1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.355 -2.565 2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.407 -1.442 1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.493 0.072 2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.237 -1.140 3.994 1.00 0.00 H new ATOM 0 HE ARG A 77 6.878 0.752 2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.196 -0.891 5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.621 -0.231 6.180 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.720 1.608 3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.054 1.188 5.032 1.00 0.00 H new ATOM 1079 N VAL A 78 1.174 -1.345 0.163 1.00 0.00 N ATOM 1080 CA VAL A 78 0.127 -1.026 -0.793 1.00 0.00 C ATOM 1081 C VAL A 78 0.055 0.492 -0.975 1.00 0.00 C ATOM 1082 O VAL A 78 0.368 1.247 -0.055 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.201 -1.637 -0.339 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.225 -3.145 -0.597 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -1.471 -1.328 1.134 1.00 0.00 C ATOM 0 H VAL A 78 1.026 -0.967 1.099 1.00 0.00 H new ATOM 0 HA VAL A 78 0.353 -1.461 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.999 -1.183 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.179 -3.556 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.099 -3.334 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.414 -3.621 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.420 -1.773 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.669 -1.742 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.516 -0.248 1.277 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.360 0.893 -2.167 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.478 2.307 -2.482 1.00 0.00 C ATOM 1097 C VAL A 79 -1.862 2.580 -3.074 1.00 0.00 C ATOM 1098 O VAL A 79 -2.213 2.035 -4.119 1.00 0.00 O ATOM 1099 CB VAL A 79 0.662 2.734 -3.408 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.523 4.204 -3.807 1.00 0.00 C ATOM 1101 CG2 VAL A 79 2.023 2.468 -2.760 1.00 0.00 C ATOM 0 H VAL A 79 -0.619 0.264 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.387 2.908 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 79 0.599 2.133 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.346 4.482 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.423 4.352 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.547 4.827 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.816 2.780 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.099 3.031 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.124 1.403 -2.550 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.612 3.424 -2.379 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.950 3.775 -2.823 1.00 0.00 C ATOM 1113 C PHE A 80 -4.119 5.294 -2.905 1.00 0.00 C ATOM 1114 O PHE A 80 -3.137 6.027 -3.021 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.926 3.221 -1.785 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.806 3.875 -0.406 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.722 3.622 0.374 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.784 4.709 0.038 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.610 4.229 1.653 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.673 5.316 1.317 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.588 5.063 2.097 1.00 0.00 C ATOM 0 H PHE A 80 -2.318 3.874 -1.512 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.133 3.361 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.944 3.354 -2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.761 2.148 -1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.946 2.959 0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.645 4.910 -0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.749 4.028 2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.450 5.978 1.670 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.503 5.525 3.070 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.372 5.722 -2.841 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.682 7.140 -2.906 1.00 0.00 C ATOM 1133 C ASN A 81 -6.794 7.461 -1.907 1.00 0.00 C ATOM 1134 O ASN A 81 -7.141 6.629 -1.070 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.171 7.533 -4.302 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.721 6.512 -5.348 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.885 6.780 -6.196 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.321 5.330 -5.243 1.00 0.00 N ATOM 0 H ASN A 81 -6.184 5.112 -2.745 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.773 7.695 -2.673 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.259 7.605 -4.303 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.786 8.519 -4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.090 4.581 -5.896 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.012 5.172 -4.510 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.325 8.669 -2.028 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.392 9.110 -1.146 1.00 0.00 C ATOM 1147 C GLU A 82 -9.755 8.739 -1.735 1.00 0.00 C ATOM 1148 O GLU A 82 -10.771 9.337 -1.382 1.00 0.00 O ATOM 1149 CB GLU A 82 -8.299 10.614 -0.882 1.00 0.00 C ATOM 1150 CG GLU A 82 -9.277 11.040 0.215 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.531 11.427 1.493 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -7.776 12.421 1.431 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -8.733 10.721 2.504 1.00 0.00 O ATOM 0 H GLU A 82 -7.036 9.356 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.281 8.600 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.282 10.873 -0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.515 11.162 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.874 11.884 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.970 10.225 0.426 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.733 7.755 -2.621 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.954 7.298 -3.262 1.00 0.00 C ATOM 1162 C ASN A 83 -11.271 5.877 -2.791 1.00 0.00 C ATOM 1163 O ASN A 83 -12.410 5.425 -2.892 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.799 7.267 -4.784 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.327 7.370 -5.188 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.775 8.446 -5.350 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.724 6.195 -5.341 1.00 0.00 N ATOM 0 H ASN A 83 -8.889 7.261 -2.910 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.754 7.989 -2.995 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.224 6.344 -5.178 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.360 8.090 -5.227 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.741 6.158 -5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.245 5.331 -5.190 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.242 5.212 -2.285 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.397 3.852 -1.797 1.00 0.00 C ATOM 1176 C ASN A 84 -9.819 2.878 -2.826 1.00 0.00 C ATOM 1177 O ASN A 84 -10.168 1.698 -2.833 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.872 3.505 -1.594 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.506 3.016 -2.898 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.463 2.259 -2.908 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -11.921 3.489 -3.994 1.00 0.00 N ATOM 0 H ASN A 84 -9.298 5.590 -2.203 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.874 3.773 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.966 2.734 -0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.409 4.382 -1.231 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.270 3.221 -4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.123 4.119 -3.915 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.944 3.406 -3.669 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.315 2.598 -4.699 1.00 0.00 C ATOM 1190 C GLN A 85 -6.846 2.349 -4.354 1.00 0.00 C ATOM 1191 O GLN A 85 -6.013 3.245 -4.485 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.452 3.257 -6.073 1.00 0.00 C ATOM 1193 CG GLN A 85 -9.924 3.457 -6.442 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.064 4.339 -7.684 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.632 3.951 -8.692 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.515 5.543 -7.557 1.00 0.00 N ATOM 0 H GLN A 85 -8.656 4.384 -3.659 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.826 1.636 -4.742 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.940 4.219 -6.071 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.965 2.638 -6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.391 2.489 -6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.453 3.914 -5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.055 5.804 -6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.554 6.206 -8.331 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.571 1.127 -3.921 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.217 0.749 -3.557 1.00 0.00 C ATOM 1207 C LEU A 86 -4.578 -0.020 -4.715 1.00 0.00 C ATOM 1208 O LEU A 86 -5.241 -0.814 -5.379 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.212 -0.018 -2.233 1.00 0.00 C ATOM 1210 CG LEU A 86 -3.837 -0.425 -1.698 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -3.336 0.574 -0.655 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -3.862 -1.855 -1.157 1.00 0.00 C ATOM 0 H LEU A 86 -7.264 0.386 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.607 1.636 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.706 0.595 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.813 -0.919 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.129 -0.406 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.357 0.261 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.256 1.563 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.037 0.612 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.873 -2.120 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.587 -1.925 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.144 -2.541 -1.956 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.296 0.243 -4.922 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.559 -0.415 -5.988 1.00 0.00 C ATOM 1226 C ALA A 87 -1.106 -0.613 -5.551 1.00 0.00 C ATOM 1227 O ALA A 87 -0.539 -1.688 -5.740 1.00 0.00 O ATOM 1228 CB ALA A 87 -2.675 0.410 -7.272 1.00 0.00 C ATOM 0 H ALA A 87 -2.749 0.903 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.978 -1.400 -6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.123 -0.083 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.724 0.497 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.261 1.404 -7.104 1.00 0.00 H new ATOM 1234 N GLY A 88 -0.546 0.440 -4.975 1.00 0.00 N ATOM 1235 CA GLY A 88 0.830 0.395 -4.510 1.00 0.00 C ATOM 1236 C GLY A 88 1.115 -0.911 -3.765 1.00 0.00 C ATOM 1237 O GLY A 88 1.570 -0.892 -2.624 1.00 0.00 O ATOM 0 H GLY A 88 -1.020 1.330 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.508 0.489 -5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.023 1.243 -3.852 1.00 0.00 H new ATOM 1241 N VAL A 89 0.835 -2.015 -4.444 1.00 0.00 N ATOM 1242 CA VAL A 89 1.055 -3.327 -3.861 1.00 0.00 C ATOM 1243 C VAL A 89 2.514 -3.737 -4.075 1.00 0.00 C ATOM 1244 O VAL A 89 2.799 -4.892 -4.384 1.00 0.00 O ATOM 1245 CB VAL A 89 0.060 -4.332 -4.445 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.417 -5.761 -4.029 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.373 -3.984 -4.040 1.00 0.00 C ATOM 0 H VAL A 89 0.458 -2.027 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 89 0.878 -3.302 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 89 0.123 -4.274 -5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.306 -6.456 -4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.415 -6.007 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.396 -5.840 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.060 -4.714 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.458 -4.000 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.624 -2.990 -4.409 1.00 0.00 H new ATOM 1257 N ILE A 90 3.398 -2.767 -3.900 1.00 0.00 N ATOM 1258 CA ILE A 90 4.821 -3.012 -4.069 1.00 0.00 C ATOM 1259 C ILE A 90 5.323 -3.889 -2.920 1.00 0.00 C ATOM 1260 O ILE A 90 4.585 -4.161 -1.974 1.00 0.00 O ATOM 1261 CB ILE A 90 5.579 -1.690 -4.211 1.00 0.00 C ATOM 1262 CG1 ILE A 90 5.689 -0.973 -2.863 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.941 -0.803 -5.281 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.711 0.201 -2.787 1.00 0.00 C ATOM 0 H ILE A 90 3.157 -1.810 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 90 5.007 -3.560 -4.993 1.00 0.00 H new ATOM 0 HB ILE A 90 6.594 -1.913 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.483 -1.675 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.708 -0.613 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.500 0.130 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.959 -1.320 -6.240 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.909 -0.585 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.809 0.694 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.935 0.913 -3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.692 -0.166 -2.906 1.00 0.00 H new ATOM 1276 N THR A 91 6.574 -4.307 -3.041 1.00 0.00 N ATOM 1277 CA THR A 91 7.184 -5.147 -2.024 1.00 0.00 C ATOM 1278 C THR A 91 8.709 -5.100 -2.137 1.00 0.00 C ATOM 1279 O THR A 91 9.246 -4.678 -3.160 1.00 0.00 O ATOM 1280 CB THR A 91 6.607 -6.557 -2.168 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.657 -7.409 -1.719 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.400 -6.959 -3.631 1.00 0.00 C ATOM 0 H THR A 91 7.182 -4.080 -3.828 1.00 0.00 H new ATOM 0 HA THR A 91 6.953 -4.786 -1.022 1.00 0.00 H new ATOM 0 HB THR A 91 5.657 -6.616 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.654 -7.443 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.989 -7.968 -3.677 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.708 -6.263 -4.105 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.356 -6.933 -4.154 1.00 0.00 H new ATOM 1290 N HIS A 92 9.362 -5.539 -1.071 1.00 0.00 N ATOM 1291 CA HIS A 92 10.815 -5.552 -1.038 1.00 0.00 C ATOM 1292 C HIS A 92 11.332 -6.826 -1.708 1.00 0.00 C ATOM 1293 O HIS A 92 12.528 -6.954 -1.967 1.00 0.00 O ATOM 1294 CB HIS A 92 11.327 -5.386 0.394 1.00 0.00 C ATOM 1295 CG HIS A 92 11.119 -4.003 0.965 1.00 0.00 C ATOM 1296 ND1 HIS A 92 12.007 -3.415 1.849 1.00 0.00 N ATOM 1297 CD2 HIS A 92 10.117 -3.099 0.767 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.549 -2.212 2.163 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.378 -2.018 1.492 1.00 0.00 N ATOM 0 H HIS A 92 8.912 -5.888 -0.225 1.00 0.00 H new ATOM 0 HA HIS A 92 11.203 -4.703 -1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.825 -6.111 1.035 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.391 -5.621 0.418 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.257 -3.239 0.129 1.00 0.00 H new ATOM 0 HE1 HIS A 92 12.021 -1.508 2.833 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.798 -1.180 1.539 1.00 0.00 H new ATOM 1308 N THR A 93 10.407 -7.737 -1.970 1.00 0.00 N ATOM 1309 CA THR A 93 10.754 -8.996 -2.604 1.00 0.00 C ATOM 1310 C THR A 93 11.875 -8.789 -3.625 1.00 0.00 C ATOM 1311 O THR A 93 11.621 -8.391 -4.761 1.00 0.00 O ATOM 1312 CB THR A 93 9.480 -9.586 -3.214 1.00 0.00 C ATOM 1313 OG1 THR A 93 8.962 -10.426 -2.188 1.00 0.00 O ATOM 1314 CG2 THR A 93 9.774 -10.546 -4.369 1.00 0.00 C ATOM 0 H THR A 93 9.416 -7.628 -1.754 1.00 0.00 H new ATOM 0 HA THR A 93 11.145 -9.709 -1.878 1.00 0.00 H new ATOM 0 HB THR A 93 8.839 -8.779 -3.568 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.134 -10.848 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.837 -10.936 -4.766 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.308 -10.015 -5.157 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.387 -11.372 -4.008 1.00 0.00 H new ATOM 1322 N GLY A 94 13.093 -9.065 -3.181 1.00 0.00 N ATOM 1323 CA GLY A 94 14.255 -8.913 -4.042 1.00 0.00 C ATOM 1324 C GLY A 94 14.121 -7.674 -4.930 1.00 0.00 C ATOM 1325 O GLY A 94 14.532 -7.690 -6.089 1.00 0.00 O ATOM 0 H GLY A 94 13.301 -9.393 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.155 -8.833 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.369 -9.800 -4.665 1.00 0.00 H new ATOM 1329 N ALA A 95 13.544 -6.631 -4.352 1.00 0.00 N ATOM 1330 CA ALA A 95 13.351 -5.386 -5.076 1.00 0.00 C ATOM 1331 C ALA A 95 14.712 -4.746 -5.356 1.00 0.00 C ATOM 1332 O ALA A 95 14.991 -3.641 -4.893 1.00 0.00 O ATOM 1333 CB ALA A 95 12.428 -4.465 -4.274 1.00 0.00 C ATOM 0 H ALA A 95 13.204 -6.622 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 95 12.871 -5.573 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.284 -3.531 -4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.464 -4.953 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.878 -4.254 -3.304 1.00 0.00 H new ATOM 1339 N SER A 96 15.526 -5.470 -6.112 1.00 0.00 N ATOM 1340 CA SER A 96 16.852 -4.987 -6.458 1.00 0.00 C ATOM 1341 C SER A 96 17.434 -4.177 -5.299 1.00 0.00 C ATOM 1342 O SER A 96 18.212 -3.249 -5.514 1.00 0.00 O ATOM 1343 CB SER A 96 16.814 -4.140 -7.732 1.00 0.00 C ATOM 1344 OG SER A 96 17.953 -4.366 -8.559 1.00 0.00 O ATOM 0 H SER A 96 15.292 -6.387 -6.494 1.00 0.00 H new ATOM 0 HA SER A 96 17.492 -5.849 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 96 15.908 -4.369 -8.293 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.764 -3.085 -7.464 1.00 0.00 H new ATOM 0 HG SER A 96 17.890 -3.808 -9.362 1.00 0.00 H new ATOM 1350 N GLY A 97 17.034 -4.557 -4.094 1.00 0.00 N ATOM 1351 CA GLY A 97 17.507 -3.878 -2.899 1.00 0.00 C ATOM 1352 C GLY A 97 16.339 -3.493 -1.990 1.00 0.00 C ATOM 1353 O GLY A 97 15.535 -4.344 -1.610 1.00 0.00 O ATOM 0 H GLY A 97 16.388 -5.326 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.196 -4.525 -2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.064 -2.984 -3.180 1.00 0.00 H new ATOM 1357 N ASN A 98 16.280 -2.209 -1.665 1.00 0.00 N ATOM 1358 CA ASN A 98 15.224 -1.702 -0.807 1.00 0.00 C ATOM 1359 C ASN A 98 14.130 -1.070 -1.671 1.00 0.00 C ATOM 1360 O ASN A 98 13.159 -0.526 -1.149 1.00 0.00 O ATOM 1361 CB ASN A 98 15.755 -0.627 0.144 1.00 0.00 C ATOM 1362 CG ASN A 98 14.607 0.089 0.858 1.00 0.00 C ATOM 1363 OD1 ASN A 98 14.665 1.273 1.149 1.00 0.00 O ATOM 1364 ND2 ASN A 98 13.564 -0.692 1.124 1.00 0.00 N ATOM 0 H ASN A 98 16.947 -1.505 -1.981 1.00 0.00 H new ATOM 0 HA ASN A 98 14.832 -2.537 -0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.418 -1.083 0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 98 16.348 0.097 -0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.747 -0.308 1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.581 -1.675 0.853 1.00 0.00 H new ATOM 1371 N ASN A 99 14.325 -1.163 -2.978 1.00 0.00 N ATOM 1372 CA ASN A 99 13.368 -0.608 -3.919 1.00 0.00 C ATOM 1373 C ASN A 99 12.024 -1.320 -3.754 1.00 0.00 C ATOM 1374 O ASN A 99 11.924 -2.300 -3.017 1.00 0.00 O ATOM 1375 CB ASN A 99 13.834 -0.808 -5.362 1.00 0.00 C ATOM 1376 CG ASN A 99 13.220 -2.071 -5.968 1.00 0.00 C ATOM 1377 OD1 ASN A 99 12.072 -2.410 -5.730 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.046 -2.748 -6.760 1.00 0.00 N ATOM 0 H ASN A 99 15.132 -1.615 -3.408 1.00 0.00 H new ATOM 0 HA ASN A 99 13.275 0.459 -3.714 1.00 0.00 H new ATOM 0 HB2 ASN A 99 13.556 0.059 -5.961 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.921 -0.879 -5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.731 -3.607 -7.211 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.995 -2.408 -6.917 1.00 0.00 H new ATOM 1385 N PHE A 100 11.025 -0.800 -4.451 1.00 0.00 N ATOM 1386 CA PHE A 100 9.691 -1.374 -4.390 1.00 0.00 C ATOM 1387 C PHE A 100 9.237 -1.852 -5.771 1.00 0.00 C ATOM 1388 O PHE A 100 9.758 -1.401 -6.790 1.00 0.00 O ATOM 1389 CB PHE A 100 8.749 -0.268 -3.911 1.00 0.00 C ATOM 1390 CG PHE A 100 8.697 -0.112 -2.389 1.00 0.00 C ATOM 1391 CD1 PHE A 100 8.357 -1.173 -1.609 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.989 1.087 -1.819 1.00 0.00 C ATOM 1393 CE1 PHE A 100 8.307 -1.029 -0.197 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.940 1.231 -0.406 1.00 0.00 C ATOM 1395 CZ PHE A 100 8.601 0.171 0.374 1.00 0.00 C ATOM 0 H PHE A 100 11.112 0.013 -5.061 1.00 0.00 H new ATOM 0 HA PHE A 100 9.685 -2.232 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 100 9.062 0.678 -4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.744 -0.475 -4.279 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.125 -2.125 -2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.258 1.929 -2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 100 8.036 -1.871 0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 100 9.172 2.183 0.048 1.00 0.00 H new ATOM 0 HZ PHE A 100 8.565 0.281 1.448 1.00 0.00 H new ATOM 1405 N VAL A 101 8.270 -2.757 -5.760 1.00 0.00 N ATOM 1406 CA VAL A 101 7.740 -3.301 -6.999 1.00 0.00 C ATOM 1407 C VAL A 101 6.360 -3.908 -6.735 1.00 0.00 C ATOM 1408 O VAL A 101 6.215 -4.781 -5.882 1.00 0.00 O ATOM 1409 CB VAL A 101 8.729 -4.303 -7.597 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.085 -3.645 -7.860 1.00 0.00 C ATOM 1411 CG2 VAL A 101 8.881 -5.529 -6.693 1.00 0.00 C ATOM 0 H VAL A 101 7.839 -3.128 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 101 7.612 -2.511 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 101 8.328 -4.639 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.769 -4.379 -8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.959 -2.819 -8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.494 -3.268 -6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 101 9.589 -6.226 -7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.248 -5.217 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.914 -6.019 -6.578 1.00 0.00 H new ATOM 1421 N GLU A 102 5.381 -3.419 -7.483 1.00 0.00 N ATOM 1422 CA GLU A 102 4.018 -3.902 -7.341 1.00 0.00 C ATOM 1423 C GLU A 102 3.989 -5.431 -7.386 1.00 0.00 C ATOM 1424 O GLU A 102 4.463 -6.037 -8.347 1.00 0.00 O ATOM 1425 CB GLU A 102 3.110 -3.304 -8.418 1.00 0.00 C ATOM 1426 CG GLU A 102 3.902 -2.977 -9.684 1.00 0.00 C ATOM 1427 CD GLU A 102 2.971 -2.821 -10.889 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.057 -1.974 -10.791 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.195 -3.550 -11.878 1.00 0.00 O ATOM 0 H GLU A 102 5.505 -2.693 -8.189 1.00 0.00 H new ATOM 0 HA GLU A 102 3.638 -3.580 -6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.311 -4.006 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.636 -2.399 -8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.468 -2.057 -9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.626 -3.768 -9.879 1.00 0.00 H new ATOM 1436 N CYS A 103 3.430 -6.012 -6.335 1.00 0.00 N ATOM 1437 CA CYS A 103 3.334 -7.458 -6.243 1.00 0.00 C ATOM 1438 C CYS A 103 2.715 -7.983 -7.540 1.00 0.00 C ATOM 1439 O CYS A 103 2.291 -7.201 -8.390 1.00 0.00 O ATOM 1440 CB CYS A 103 2.535 -7.895 -5.012 1.00 0.00 C ATOM 1441 SG CYS A 103 3.296 -7.455 -3.407 1.00 0.00 S ATOM 0 H CYS A 103 3.039 -5.507 -5.540 1.00 0.00 H new ATOM 0 HA CYS A 103 4.330 -7.883 -6.119 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.543 -7.447 -5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.399 -8.976 -5.049 1.00 0.00 H new ATOM 0 HG CYS A 103 2.388 -7.474 -2.477 1.00 0.00 H new ATOM 1446 N THR A 104 2.682 -9.302 -7.652 1.00 0.00 N ATOM 1447 CA THR A 104 2.122 -9.940 -8.832 1.00 0.00 C ATOM 1448 C THR A 104 0.723 -10.482 -8.532 1.00 0.00 C ATOM 1449 O THR A 104 0.210 -11.326 -9.265 1.00 0.00 O ATOM 1450 CB THR A 104 3.103 -11.017 -9.298 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.119 -11.958 -8.229 1.00 0.00 O ATOM 1452 CG2 THR A 104 4.545 -10.505 -9.366 1.00 0.00 C ATOM 0 H THR A 104 3.034 -9.947 -6.945 1.00 0.00 H new ATOM 0 HA THR A 104 1.992 -9.225 -9.644 1.00 0.00 H new ATOM 0 HB THR A 104 2.801 -11.384 -10.279 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.597 -11.575 -7.464 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.201 -11.308 -9.702 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.603 -9.672 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.859 -10.170 -8.378 1.00 0.00 H new