USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 673 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 28 GLN : amide:sc= 0.0713 X(o=0.14,f=-0.28) USER MOD Set 1.2: A 82 ASN : amide:sc= 0.0733 K(o=0.14,f=-0.43) USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0.856 USER MOD Set 2.2: A 41 THR OG1 : rot -33:sc= 0.993 USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 15 GLN : amide:sc= -0.0444 X(o=-0.044,f=-0.02) USER MOD Set 4.1: A 11 TYR OH : rot 30:sc= 0 USER MOD Set 4.2: A 63 SER OG : rot -26:sc= 0.177 USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -58:sc= 0.312 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.102 K(o=-0.1,f=-2) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.098 K(o=-0.098,f=-2!) USER MOD Single : A 32 THR OG1 : rot 180:sc=5.74e-06 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 114:sc= 1.25 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= 0.738 K(o=0.74,f=-6.1!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.0242 K(o=0.024,f=-2.3) USER MOD Single : A 44 ASN : amide:sc= -0.0946 K(o=-0.095,f=-2.3) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.214 X(o=0.21,f=0.054) USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0482) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -43:sc= 0.438 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.235 K(o=0.23,f=-3.1!) USER MOD Single : A 81 THR OG1 : rot -19:sc= 0.325 USER MOD Single : A 85 TYR OH : rot -120:sc= -0.885 USER MOD Single : A 90 THR OG1 : rot 150:sc= -0.13 USER MOD Single : A 91 HIS : no HD1:sc= -0.736 K(o=-0.74,f=-4!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc=-0.00147 X(o=-0.0015,f=-0.0015) USER MOD Single : A 98 ASN : amide:sc= -0.91 K(o=-0.91,f=-0.033) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -144:sc= 0.544 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 4.022 11.114 -8.924 1.00 0.00 N HETATM 2 CA PCA A 1 3.520 11.218 -7.546 1.00 0.00 C HETATM 3 CB PCA A 1 2.461 10.116 -7.394 1.00 0.00 C HETATM 4 CG PCA A 1 2.909 9.015 -8.361 1.00 0.00 C HETATM 5 CD PCA A 1 3.652 9.792 -9.444 1.00 0.00 C HETATM 6 OE PCA A 1 3.814 9.388 -10.595 1.00 0.00 O HETATM 7 C PCA A 1 4.670 11.093 -6.544 1.00 0.00 C HETATM 8 O PCA A 1 4.807 10.082 -5.857 1.00 0.00 O HETATM 0 H2 PCA A 1 3.228 11.201 -9.590 1.00 0.00 H new HETATM 0 HA PCA A 1 3.070 12.189 -7.341 1.00 0.00 H new HETATM 0 HB2 PCA A 1 2.415 9.749 -6.369 1.00 0.00 H new HETATM 0 HB3 PCA A 1 1.466 10.484 -7.646 1.00 0.00 H new HETATM 0 HG2 PCA A 1 3.555 8.286 -7.872 1.00 0.00 H new HETATM 0 HG3 PCA A 1 2.060 8.466 -8.768 1.00 0.00 H new ATOM 15 N SER A 2 5.503 12.140 -6.483 1.00 0.00 N ATOM 16 CA SER A 2 6.662 12.242 -5.611 1.00 0.00 C ATOM 17 C SER A 2 6.761 13.658 -5.034 1.00 0.00 C ATOM 18 O SER A 2 5.808 14.432 -5.115 1.00 0.00 O ATOM 19 CB SER A 2 7.893 11.885 -6.452 1.00 0.00 C ATOM 20 OG SER A 2 8.154 12.880 -7.420 1.00 0.00 O ATOM 0 H SER A 2 5.376 12.967 -7.066 1.00 0.00 H new ATOM 0 HA SER A 2 6.585 11.560 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.760 11.769 -5.802 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.734 10.926 -6.945 1.00 0.00 H new ATOM 0 HG SER A 2 8.945 12.629 -7.942 1.00 0.00 H new ATOM 26 N ALA A 3 7.919 13.982 -4.443 1.00 0.00 N ATOM 27 CA ALA A 3 8.213 15.287 -3.864 1.00 0.00 C ATOM 28 C ALA A 3 8.092 16.368 -4.938 1.00 0.00 C ATOM 29 O ALA A 3 8.391 16.113 -6.104 1.00 0.00 O ATOM 30 CB ALA A 3 9.624 15.270 -3.272 1.00 0.00 C ATOM 0 H ALA A 3 8.692 13.323 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 3 7.499 15.509 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.848 16.244 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.685 14.505 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.346 15.048 -4.058 1.00 0.00 H new ATOM 36 N THR A 4 7.664 17.572 -4.538 1.00 0.00 N ATOM 37 CA THR A 4 7.476 18.695 -5.450 1.00 0.00 C ATOM 38 C THR A 4 8.339 19.877 -5.017 1.00 0.00 C ATOM 39 O THR A 4 8.192 20.388 -3.912 1.00 0.00 O ATOM 40 CB THR A 4 5.996 19.112 -5.531 1.00 0.00 C ATOM 41 OG1 THR A 4 5.439 19.275 -4.253 1.00 0.00 O ATOM 42 CG2 THR A 4 5.117 18.118 -6.285 1.00 0.00 C ATOM 0 H THR A 4 7.439 17.790 -3.567 1.00 0.00 H new ATOM 0 HA THR A 4 7.786 18.375 -6.445 1.00 0.00 H new ATOM 0 HB THR A 4 6.010 20.054 -6.079 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.500 19.541 -4.337 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.089 18.480 -6.300 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.480 18.014 -7.307 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.153 17.149 -5.787 1.00 0.00 H new ATOM 50 N THR A 5 9.253 20.293 -5.897 1.00 0.00 N ATOM 51 CA THR A 5 10.143 21.411 -5.739 1.00 0.00 C ATOM 52 C THR A 5 9.764 22.237 -6.964 1.00 0.00 C ATOM 53 O THR A 5 10.072 21.850 -8.092 1.00 0.00 O ATOM 54 CB THR A 5 11.584 20.884 -5.692 1.00 0.00 C ATOM 55 OG1 THR A 5 11.953 20.680 -4.346 1.00 0.00 O ATOM 56 CG2 THR A 5 12.568 21.835 -6.355 1.00 0.00 C ATOM 0 H THR A 5 9.388 19.818 -6.790 1.00 0.00 H new ATOM 0 HA THR A 5 10.070 22.008 -4.830 1.00 0.00 H new ATOM 0 HB THR A 5 11.618 19.946 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.872 20.342 -4.306 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.573 21.418 -6.296 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.293 21.972 -7.401 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.544 22.798 -5.844 1.00 0.00 H new ATOM 64 N CYS A 6 9.078 23.364 -6.735 1.00 0.00 N ATOM 65 CA CYS A 6 8.612 24.232 -7.805 1.00 0.00 C ATOM 66 C CYS A 6 9.099 25.661 -7.576 1.00 0.00 C ATOM 67 O CYS A 6 8.638 26.335 -6.654 1.00 0.00 O ATOM 68 CB CYS A 6 7.085 24.129 -7.919 1.00 0.00 C ATOM 69 SG CYS A 6 6.324 22.551 -7.453 1.00 0.00 S ATOM 0 H CYS A 6 8.834 23.693 -5.801 1.00 0.00 H new ATOM 0 HA CYS A 6 9.030 23.912 -8.759 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.646 24.911 -7.300 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.808 24.346 -8.951 1.00 0.00 H new ATOM 74 N GLY A 7 10.033 26.113 -8.423 1.00 0.00 N ATOM 75 CA GLY A 7 10.628 27.438 -8.357 1.00 0.00 C ATOM 76 C GLY A 7 11.605 27.501 -7.188 1.00 0.00 C ATOM 77 O GLY A 7 12.810 27.343 -7.374 1.00 0.00 O ATOM 0 H GLY A 7 10.399 25.547 -9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.146 27.662 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.850 28.192 -8.235 1.00 0.00 H new ATOM 81 N SER A 8 11.068 27.740 -5.987 1.00 0.00 N ATOM 82 CA SER A 8 11.821 27.819 -4.746 1.00 0.00 C ATOM 83 C SER A 8 10.877 27.529 -3.574 1.00 0.00 C ATOM 84 O SER A 8 10.882 28.249 -2.575 1.00 0.00 O ATOM 85 CB SER A 8 12.502 29.191 -4.639 1.00 0.00 C ATOM 86 OG SER A 8 13.341 29.239 -3.507 1.00 0.00 O ATOM 0 H SER A 8 10.067 27.887 -5.855 1.00 0.00 H new ATOM 0 HA SER A 8 12.614 27.072 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.085 29.385 -5.539 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.747 29.974 -4.573 1.00 0.00 H new ATOM 0 HG SER A 8 12.813 29.062 -2.701 1.00 0.00 H new ATOM 92 N THR A 9 10.058 26.476 -3.710 1.00 0.00 N ATOM 93 CA THR A 9 9.104 26.035 -2.703 1.00 0.00 C ATOM 94 C THR A 9 9.112 24.504 -2.710 1.00 0.00 C ATOM 95 O THR A 9 8.448 23.869 -3.531 1.00 0.00 O ATOM 96 CB THR A 9 7.714 26.641 -2.967 1.00 0.00 C ATOM 97 OG1 THR A 9 7.823 28.026 -3.227 1.00 0.00 O ATOM 98 CG2 THR A 9 6.812 26.463 -1.742 1.00 0.00 C ATOM 0 H THR A 9 10.047 25.897 -4.550 1.00 0.00 H new ATOM 0 HA THR A 9 9.382 26.383 -1.708 1.00 0.00 H new ATOM 0 HB THR A 9 7.286 26.127 -3.828 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.932 28.398 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.833 26.897 -1.945 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.700 25.401 -1.524 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.260 26.964 -0.884 1.00 0.00 H new ATOM 106 N ASN A 10 9.887 23.929 -1.780 1.00 0.00 N ATOM 107 CA ASN A 10 10.079 22.498 -1.601 1.00 0.00 C ATOM 108 C ASN A 10 8.979 21.905 -0.717 1.00 0.00 C ATOM 109 O ASN A 10 8.577 22.516 0.273 1.00 0.00 O ATOM 110 CB ASN A 10 11.468 22.283 -0.979 1.00 0.00 C ATOM 111 CG ASN A 10 11.908 20.818 -0.928 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.233 19.973 -0.343 1.00 0.00 O ATOM 113 ND2 ASN A 10 13.058 20.510 -1.535 1.00 0.00 N ATOM 0 H ASN A 10 10.417 24.481 -1.106 1.00 0.00 H new ATOM 0 HA ASN A 10 10.020 21.987 -2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.202 22.852 -1.549 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.468 22.687 0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.400 19.549 -1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.593 21.236 -2.011 1.00 0.00 H new ATOM 120 N TYR A 11 8.492 20.716 -1.094 1.00 0.00 N ATOM 121 CA TYR A 11 7.472 19.966 -0.379 1.00 0.00 C ATOM 122 C TYR A 11 7.880 18.492 -0.368 1.00 0.00 C ATOM 123 O TYR A 11 8.318 17.971 -1.395 1.00 0.00 O ATOM 124 CB TYR A 11 6.129 20.065 -1.102 1.00 0.00 C ATOM 125 CG TYR A 11 5.550 21.446 -1.345 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.952 22.145 -0.285 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.596 22.031 -2.628 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.397 23.414 -0.510 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.039 23.300 -2.853 1.00 0.00 C ATOM 130 CZ TYR A 11 4.427 23.987 -1.792 1.00 0.00 C ATOM 131 OH TYR A 11 3.869 25.212 -1.997 1.00 0.00 O ATOM 0 H TYR A 11 8.814 20.240 -1.936 1.00 0.00 H new ATOM 0 HA TYR A 11 7.378 20.369 0.629 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.233 19.572 -2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.399 19.493 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.919 21.707 0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.063 21.499 -3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.944 23.954 0.308 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.081 23.745 -3.836 1.00 0.00 H new ATOM 0 HH TYR A 11 3.931 25.742 -1.175 1.00 0.00 H new ATOM 141 N SER A 12 7.722 17.822 0.782 1.00 0.00 N ATOM 142 CA SER A 12 8.041 16.411 0.942 1.00 0.00 C ATOM 143 C SER A 12 7.016 15.620 0.172 1.00 0.00 C ATOM 144 O SER A 12 5.880 16.074 0.051 1.00 0.00 O ATOM 145 CB SER A 12 7.992 16.015 2.420 1.00 0.00 C ATOM 146 OG SER A 12 8.879 16.806 3.181 1.00 0.00 O ATOM 0 H SER A 12 7.364 18.257 1.633 1.00 0.00 H new ATOM 0 HA SER A 12 9.046 16.211 0.571 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.977 16.132 2.799 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.253 14.962 2.528 1.00 0.00 H new ATOM 0 HG SER A 12 8.831 16.538 4.122 1.00 0.00 H new ATOM 152 N ALA A 13 7.420 14.452 -0.350 1.00 0.00 N ATOM 153 CA ALA A 13 6.526 13.552 -1.066 1.00 0.00 C ATOM 154 C ALA A 13 5.310 13.271 -0.173 1.00 0.00 C ATOM 155 O ALA A 13 4.249 12.898 -0.668 1.00 0.00 O ATOM 156 CB ALA A 13 7.266 12.258 -1.413 1.00 0.00 C ATOM 0 H ALA A 13 8.379 14.111 -0.283 1.00 0.00 H new ATOM 0 HA ALA A 13 6.190 14.005 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.594 11.587 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.126 12.488 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.605 11.776 -0.496 1.00 0.00 H new ATOM 162 N SER A 14 5.481 13.476 1.144 1.00 0.00 N ATOM 163 CA SER A 14 4.443 13.284 2.140 1.00 0.00 C ATOM 164 C SER A 14 3.393 14.391 1.996 1.00 0.00 C ATOM 165 O SER A 14 2.200 14.096 1.968 1.00 0.00 O ATOM 166 CB SER A 14 5.060 13.297 3.543 1.00 0.00 C ATOM 167 OG SER A 14 6.010 12.262 3.671 1.00 0.00 O ATOM 0 H SER A 14 6.367 13.786 1.542 1.00 0.00 H new ATOM 0 HA SER A 14 3.959 12.319 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.535 14.260 3.730 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.278 13.176 4.293 1.00 0.00 H new ATOM 0 HG SER A 14 6.397 12.283 4.571 1.00 0.00 H new ATOM 173 N GLN A 15 3.828 15.659 1.894 1.00 0.00 N ATOM 174 CA GLN A 15 2.936 16.804 1.766 1.00 0.00 C ATOM 175 C GLN A 15 2.169 16.820 0.448 1.00 0.00 C ATOM 176 O GLN A 15 0.996 17.186 0.438 1.00 0.00 O ATOM 177 CB GLN A 15 3.688 18.129 1.970 1.00 0.00 C ATOM 178 CG GLN A 15 3.788 18.518 3.449 1.00 0.00 C ATOM 179 CD GLN A 15 4.802 17.671 4.214 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.459 16.618 4.745 1.00 0.00 O ATOM 181 NE2 GLN A 15 6.050 18.141 4.277 1.00 0.00 N ATOM 0 H GLN A 15 4.817 15.910 1.899 1.00 0.00 H new ATOM 0 HA GLN A 15 2.197 16.697 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.690 18.044 1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.179 18.922 1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.067 19.569 3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.808 18.413 3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.287 19.021 3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.766 17.620 4.783 1.00 0.00 H new ATOM 190 N VAL A 16 2.811 16.420 -0.652 1.00 0.00 N ATOM 191 CA VAL A 16 2.203 16.400 -1.971 1.00 0.00 C ATOM 192 C VAL A 16 1.046 15.401 -1.968 1.00 0.00 C ATOM 193 O VAL A 16 -0.071 15.727 -2.366 1.00 0.00 O ATOM 194 CB VAL A 16 3.233 15.998 -3.030 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.717 16.470 -4.379 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.607 16.636 -2.822 1.00 0.00 C ATOM 0 H VAL A 16 3.779 16.098 -0.645 1.00 0.00 H new ATOM 0 HA VAL A 16 1.834 17.397 -2.212 1.00 0.00 H new ATOM 0 HB VAL A 16 3.357 14.917 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.430 16.198 -5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.757 15.998 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.593 17.553 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.284 16.306 -3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.513 17.721 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.004 16.336 -1.852 1.00 0.00 H new ATOM 206 N ARG A 17 1.345 14.182 -1.497 1.00 0.00 N ATOM 207 CA ARG A 17 0.429 13.059 -1.409 1.00 0.00 C ATOM 208 C ARG A 17 -0.721 13.339 -0.440 1.00 0.00 C ATOM 209 O ARG A 17 -1.845 12.914 -0.694 1.00 0.00 O ATOM 210 CB ARG A 17 1.242 11.819 -1.019 1.00 0.00 C ATOM 211 CG ARG A 17 0.561 10.500 -1.394 1.00 0.00 C ATOM 212 CD ARG A 17 1.528 9.343 -1.106 1.00 0.00 C ATOM 213 NE ARG A 17 1.227 8.165 -1.934 1.00 0.00 N ATOM 214 CZ ARG A 17 0.435 7.132 -1.600 1.00 0.00 C ATOM 215 NH1 ARG A 17 -0.215 7.099 -0.428 1.00 0.00 N ATOM 216 NH2 ARG A 17 0.297 6.113 -2.459 1.00 0.00 N ATOM 0 H ARG A 17 2.278 13.952 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.048 12.887 -2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.217 11.866 -1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.420 11.834 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.358 10.374 -0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.283 10.506 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.551 9.668 -1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.468 9.072 -0.052 1.00 0.00 H new ATOM 0 HE ARG A 17 1.664 8.129 -2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.114 7.869 0.233 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.811 6.304 -0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.790 6.129 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.301 5.322 -2.220 1.00 0.00 H new ATOM 230 N ALA A 18 -0.452 14.056 0.662 1.00 0.00 N ATOM 231 CA ALA A 18 -1.464 14.405 1.649 1.00 0.00 C ATOM 232 C ALA A 18 -2.443 15.419 1.055 1.00 0.00 C ATOM 233 O ALA A 18 -3.656 15.221 1.117 1.00 0.00 O ATOM 234 CB ALA A 18 -0.794 14.957 2.909 1.00 0.00 C ATOM 0 H ALA A 18 0.479 14.407 0.887 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.025 13.512 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.557 15.216 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.129 14.202 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.218 15.847 2.655 1.00 0.00 H new ATOM 240 N ALA A 19 -1.905 16.497 0.468 1.00 0.00 N ATOM 241 CA ALA A 19 -2.676 17.562 -0.157 1.00 0.00 C ATOM 242 C ALA A 19 -3.569 16.992 -1.254 1.00 0.00 C ATOM 243 O ALA A 19 -4.729 17.385 -1.369 1.00 0.00 O ATOM 244 CB ALA A 19 -1.729 18.628 -0.731 1.00 0.00 C ATOM 0 H ALA A 19 -0.898 16.649 0.417 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.311 18.029 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.314 19.421 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.124 19.047 0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.077 18.172 -1.476 1.00 0.00 H new ATOM 250 N ALA A 20 -3.029 16.059 -2.046 1.00 0.00 N ATOM 251 CA ALA A 20 -3.767 15.454 -3.138 1.00 0.00 C ATOM 252 C ALA A 20 -4.833 14.484 -2.669 1.00 0.00 C ATOM 253 O ALA A 20 -5.957 14.551 -3.156 1.00 0.00 O ATOM 254 CB ALA A 20 -2.812 14.839 -4.161 1.00 0.00 C ATOM 0 H ALA A 20 -2.076 15.711 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.316 16.251 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.387 14.391 -4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.161 15.615 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.206 14.072 -3.678 1.00 0.00 H new ATOM 260 N ASN A 21 -4.509 13.594 -1.731 1.00 0.00 N ATOM 261 CA ASN A 21 -5.493 12.662 -1.208 1.00 0.00 C ATOM 262 C ASN A 21 -6.639 13.442 -0.542 1.00 0.00 C ATOM 263 O ASN A 21 -7.751 12.925 -0.419 1.00 0.00 O ATOM 264 CB ASN A 21 -4.807 11.726 -0.204 1.00 0.00 C ATOM 265 CG ASN A 21 -5.766 10.679 0.357 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.010 9.656 -0.279 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.309 10.932 1.552 1.00 0.00 N ATOM 0 H ASN A 21 -3.578 13.503 -1.324 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.914 12.064 -2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.970 11.226 -0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.395 12.315 0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.954 10.262 1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.078 11.795 2.045 1.00 0.00 H new ATOM 274 N ALA A 22 -6.376 14.700 -0.141 1.00 0.00 N ATOM 275 CA ALA A 22 -7.369 15.512 0.545 1.00 0.00 C ATOM 276 C ALA A 22 -8.294 16.118 -0.494 1.00 0.00 C ATOM 277 O ALA A 22 -9.499 15.883 -0.449 1.00 0.00 O ATOM 278 CB ALA A 22 -6.703 16.575 1.411 1.00 0.00 C ATOM 0 H ALA A 22 -5.480 15.166 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.956 14.892 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.468 17.168 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.071 16.093 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.093 17.225 0.784 1.00 0.00 H new ATOM 284 N ALA A 23 -7.722 16.903 -1.415 1.00 0.00 N ATOM 285 CA ALA A 23 -8.460 17.526 -2.503 1.00 0.00 C ATOM 286 C ALA A 23 -9.252 16.480 -3.298 1.00 0.00 C ATOM 287 O ALA A 23 -10.328 16.793 -3.804 1.00 0.00 O ATOM 288 CB ALA A 23 -7.508 18.332 -3.379 1.00 0.00 C ATOM 0 H ALA A 23 -6.726 17.121 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.194 18.219 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.066 18.796 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.029 19.106 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.747 17.671 -3.793 1.00 0.00 H new ATOM 294 N CYS A 24 -8.731 15.247 -3.409 1.00 0.00 N ATOM 295 CA CYS A 24 -9.391 14.145 -4.096 1.00 0.00 C ATOM 296 C CYS A 24 -10.678 13.814 -3.340 1.00 0.00 C ATOM 297 O CYS A 24 -11.745 13.793 -3.948 1.00 0.00 O ATOM 298 CB CYS A 24 -8.462 12.925 -4.194 1.00 0.00 C ATOM 299 SG CYS A 24 -9.318 11.334 -4.360 1.00 0.00 S ATOM 0 H CYS A 24 -7.825 14.993 -3.015 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.636 14.433 -5.118 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.800 13.057 -5.050 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.832 12.892 -3.305 1.00 0.00 H new ATOM 304 N GLN A 25 -10.582 13.560 -2.025 1.00 0.00 N ATOM 305 CA GLN A 25 -11.743 13.254 -1.191 1.00 0.00 C ATOM 306 C GLN A 25 -12.785 14.381 -1.282 1.00 0.00 C ATOM 307 O GLN A 25 -13.987 14.122 -1.325 1.00 0.00 O ATOM 308 CB GLN A 25 -11.271 13.033 0.252 1.00 0.00 C ATOM 309 CG GLN A 25 -12.390 12.491 1.148 1.00 0.00 C ATOM 310 CD GLN A 25 -11.919 12.344 2.594 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.428 13.022 3.484 1.00 0.00 O ATOM 312 NE2 GLN A 25 -10.947 11.459 2.832 1.00 0.00 N ATOM 0 H GLN A 25 -9.698 13.562 -1.517 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.227 12.344 -1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.434 12.335 0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.904 13.974 0.661 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.248 13.162 1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.724 11.524 0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.552 10.916 2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.600 11.326 3.782 1.00 0.00 H new ATOM 321 N TYR A 26 -12.300 15.628 -1.325 1.00 0.00 N ATOM 322 CA TYR A 26 -13.075 16.859 -1.425 1.00 0.00 C ATOM 323 C TYR A 26 -13.653 17.094 -2.822 1.00 0.00 C ATOM 324 O TYR A 26 -14.363 18.078 -3.005 1.00 0.00 O ATOM 325 CB TYR A 26 -12.161 18.044 -1.088 1.00 0.00 C ATOM 326 CG TYR A 26 -12.355 18.639 0.291 1.00 0.00 C ATOM 327 CD1 TYR A 26 -13.499 19.416 0.545 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.407 18.433 1.313 1.00 0.00 C ATOM 329 CE1 TYR A 26 -13.699 19.987 1.813 1.00 0.00 C ATOM 330 CE2 TYR A 26 -11.606 19.006 2.581 1.00 0.00 C ATOM 331 CZ TYR A 26 -12.746 19.792 2.829 1.00 0.00 C ATOM 332 OH TYR A 26 -12.932 20.356 4.057 1.00 0.00 O ATOM 0 H TYR A 26 -11.297 15.809 -1.288 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.909 16.768 -0.730 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.124 17.721 -1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.321 18.827 -1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.226 19.574 -0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.528 17.835 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.584 20.575 2.007 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.883 18.843 3.366 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.181 20.121 4.642 1.00 0.00 H new ATOM 342 N TYR A 27 -13.356 16.232 -3.801 1.00 0.00 N ATOM 343 CA TYR A 27 -13.851 16.379 -5.168 1.00 0.00 C ATOM 344 C TYR A 27 -14.399 15.083 -5.791 1.00 0.00 C ATOM 345 O TYR A 27 -14.537 15.026 -7.011 1.00 0.00 O ATOM 346 CB TYR A 27 -12.730 17.009 -6.010 1.00 0.00 C ATOM 347 CG TYR A 27 -13.186 17.775 -7.237 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.651 19.099 -7.106 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.137 17.175 -8.509 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.075 19.813 -8.239 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.570 17.886 -9.640 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.038 19.203 -9.505 1.00 0.00 C ATOM 353 OH TYR A 27 -14.459 19.883 -10.608 1.00 0.00 O ATOM 0 H TYR A 27 -12.764 15.412 -3.664 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.723 17.032 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.157 17.684 -5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.051 16.218 -6.329 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.681 19.566 -6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.766 16.166 -8.616 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.429 20.828 -8.138 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.543 17.420 -10.614 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.364 19.313 -11.400 1.00 0.00 H new ATOM 363 N GLN A 28 -14.730 14.047 -5.002 1.00 0.00 N ATOM 364 CA GLN A 28 -15.273 12.800 -5.536 1.00 0.00 C ATOM 365 C GLN A 28 -16.790 12.813 -5.371 1.00 0.00 C ATOM 366 O GLN A 28 -17.513 13.108 -6.321 1.00 0.00 O ATOM 367 CB GLN A 28 -14.650 11.574 -4.851 1.00 0.00 C ATOM 368 CG GLN A 28 -13.315 11.195 -5.492 1.00 0.00 C ATOM 369 CD GLN A 28 -12.696 9.995 -4.780 1.00 0.00 C ATOM 370 OE1 GLN A 28 -12.204 10.124 -3.661 1.00 0.00 O ATOM 371 NE2 GLN A 28 -12.730 8.823 -5.420 1.00 0.00 N ATOM 0 H GLN A 28 -14.628 14.055 -3.987 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.023 12.726 -6.594 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.500 11.784 -3.792 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.338 10.731 -4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.465 10.961 -6.546 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.631 12.043 -5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.148 8.761 -6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.338 7.990 -4.980 1.00 0.00 H new ATOM 380 N ASN A 29 -17.256 12.492 -4.160 1.00 0.00 N ATOM 381 CA ASN A 29 -18.672 12.431 -3.815 1.00 0.00 C ATOM 382 C ASN A 29 -18.925 12.574 -2.307 1.00 0.00 C ATOM 383 O ASN A 29 -20.009 12.234 -1.832 1.00 0.00 O ATOM 384 CB ASN A 29 -19.287 11.149 -4.402 1.00 0.00 C ATOM 385 CG ASN A 29 -18.531 9.883 -3.995 1.00 0.00 C ATOM 386 OD1 ASN A 29 -18.146 9.723 -2.839 1.00 0.00 O ATOM 387 ND2 ASN A 29 -18.311 8.981 -4.955 1.00 0.00 N ATOM 0 H ASN A 29 -16.642 12.263 -3.378 1.00 0.00 H new ATOM 0 HA ASN A 29 -19.172 13.290 -4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -20.324 11.067 -4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.300 11.224 -5.489 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.806 8.121 -4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.648 9.152 -5.903 1.00 0.00 H new ATOM 394 N ASP A 30 -17.935 13.076 -1.558 1.00 0.00 N ATOM 395 CA ASP A 30 -17.984 13.319 -0.126 1.00 0.00 C ATOM 396 C ASP A 30 -17.678 14.809 -0.028 1.00 0.00 C ATOM 397 O ASP A 30 -16.625 15.213 0.466 1.00 0.00 O ATOM 398 CB ASP A 30 -16.954 12.424 0.578 1.00 0.00 C ATOM 399 CG ASP A 30 -16.907 12.663 2.086 1.00 0.00 C ATOM 400 OD1 ASP A 30 -17.974 12.527 2.722 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.799 12.972 2.578 1.00 0.00 O ATOM 0 H ASP A 30 -17.035 13.334 -1.963 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.931 13.081 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -17.194 11.378 0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.967 12.607 0.153 1.00 0.00 H new ATOM 406 N ASP A 31 -18.636 15.600 -0.532 1.00 0.00 N ATOM 407 CA ASP A 31 -18.620 17.051 -0.636 1.00 0.00 C ATOM 408 C ASP A 31 -17.717 17.359 -1.825 1.00 0.00 C ATOM 409 O ASP A 31 -16.531 17.042 -1.784 1.00 0.00 O ATOM 410 CB ASP A 31 -18.178 17.772 0.641 1.00 0.00 C ATOM 411 CG ASP A 31 -18.997 17.334 1.853 1.00 0.00 C ATOM 412 OD1 ASP A 31 -20.161 17.781 1.945 1.00 0.00 O ATOM 413 OD2 ASP A 31 -18.448 16.556 2.664 1.00 0.00 O ATOM 0 H ASP A 31 -19.501 15.206 -0.902 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.632 17.429 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -17.122 17.572 0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.279 18.849 0.504 1.00 0.00 H new ATOM 418 N THR A 32 -18.277 17.965 -2.877 1.00 0.00 N ATOM 419 CA THR A 32 -17.566 18.291 -4.109 1.00 0.00 C ATOM 420 C THR A 32 -17.058 19.731 -4.117 1.00 0.00 C ATOM 421 O THR A 32 -15.858 19.954 -4.269 1.00 0.00 O ATOM 422 CB THR A 32 -18.466 17.995 -5.320 1.00 0.00 C ATOM 423 OG1 THR A 32 -19.708 18.659 -5.195 1.00 0.00 O ATOM 424 CG2 THR A 32 -18.711 16.489 -5.467 1.00 0.00 C ATOM 0 H THR A 32 -19.257 18.247 -2.892 1.00 0.00 H new ATOM 0 HA THR A 32 -16.680 17.660 -4.171 1.00 0.00 H new ATOM 0 HB THR A 32 -17.950 18.360 -6.208 1.00 0.00 H new ATOM 0 HG1 THR A 32 -20.266 18.460 -5.976 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.350 16.307 -6.331 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.759 15.977 -5.606 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.198 16.110 -4.569 1.00 0.00 H new ATOM 432 N ALA A 33 -17.968 20.700 -3.968 1.00 0.00 N ATOM 433 CA ALA A 33 -17.670 22.125 -3.950 1.00 0.00 C ATOM 434 C ALA A 33 -16.818 22.560 -5.141 1.00 0.00 C ATOM 435 O ALA A 33 -15.600 22.699 -5.044 1.00 0.00 O ATOM 436 CB ALA A 33 -17.023 22.527 -2.634 1.00 0.00 C ATOM 0 H ALA A 33 -18.962 20.501 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.621 22.650 -4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -16.810 23.596 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -17.701 22.300 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.094 21.973 -2.501 1.00 0.00 H new ATOM 442 N GLY A 34 -17.508 22.782 -6.257 1.00 0.00 N ATOM 443 CA GLY A 34 -16.947 23.192 -7.538 1.00 0.00 C ATOM 444 C GLY A 34 -17.389 24.610 -7.895 1.00 0.00 C ATOM 445 O GLY A 34 -17.563 24.922 -9.072 1.00 0.00 O ATOM 0 H GLY A 34 -18.522 22.675 -6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.859 23.145 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.265 22.500 -8.318 1.00 0.00 H new ATOM 449 N SER A 35 -17.562 25.461 -6.876 1.00 0.00 N ATOM 450 CA SER A 35 -17.989 26.848 -7.001 1.00 0.00 C ATOM 451 C SER A 35 -17.347 27.624 -5.852 1.00 0.00 C ATOM 452 O SER A 35 -18.039 28.134 -4.972 1.00 0.00 O ATOM 453 CB SER A 35 -19.522 26.923 -6.959 1.00 0.00 C ATOM 454 OG SER A 35 -20.082 26.257 -8.070 1.00 0.00 O ATOM 0 H SER A 35 -17.400 25.185 -5.907 1.00 0.00 H new ATOM 0 HA SER A 35 -17.676 27.282 -7.951 1.00 0.00 H new ATOM 0 HB2 SER A 35 -19.888 26.474 -6.036 1.00 0.00 H new ATOM 0 HB3 SER A 35 -19.841 27.965 -6.954 1.00 0.00 H new ATOM 0 HG SER A 35 -21.059 26.313 -8.026 1.00 0.00 H new ATOM 460 N SER A 36 -16.011 27.711 -5.868 1.00 0.00 N ATOM 461 CA SER A 36 -15.222 28.384 -4.851 1.00 0.00 C ATOM 462 C SER A 36 -13.834 28.682 -5.422 1.00 0.00 C ATOM 463 O SER A 36 -13.610 28.569 -6.626 1.00 0.00 O ATOM 464 CB SER A 36 -15.138 27.479 -3.611 1.00 0.00 C ATOM 465 OG SER A 36 -14.456 26.280 -3.921 1.00 0.00 O ATOM 0 H SER A 36 -15.443 27.303 -6.610 1.00 0.00 H new ATOM 0 HA SER A 36 -15.683 29.327 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.621 28.001 -2.806 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.141 27.251 -3.250 1.00 0.00 H new ATOM 0 HG SER A 36 -14.409 25.715 -3.122 1.00 0.00 H new ATOM 471 N THR A 37 -12.896 29.069 -4.552 1.00 0.00 N ATOM 472 CA THR A 37 -11.524 29.364 -4.924 1.00 0.00 C ATOM 473 C THR A 37 -10.721 28.056 -4.920 1.00 0.00 C ATOM 474 O THR A 37 -9.733 27.935 -4.197 1.00 0.00 O ATOM 475 CB THR A 37 -10.965 30.425 -3.963 1.00 0.00 C ATOM 476 OG1 THR A 37 -11.244 30.052 -2.628 1.00 0.00 O ATOM 477 CG2 THR A 37 -11.591 31.798 -4.232 1.00 0.00 C ATOM 0 H THR A 37 -13.080 29.186 -3.555 1.00 0.00 H new ATOM 0 HA THR A 37 -11.458 29.779 -5.930 1.00 0.00 H new ATOM 0 HB THR A 37 -9.889 30.490 -4.122 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.406 29.850 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.177 32.529 -3.537 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.371 32.104 -5.255 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.671 31.739 -4.095 1.00 0.00 H new ATOM 485 N TYR A 38 -11.170 27.080 -5.731 1.00 0.00 N ATOM 486 CA TYR A 38 -10.579 25.754 -5.921 1.00 0.00 C ATOM 487 C TYR A 38 -10.866 24.858 -4.703 1.00 0.00 C ATOM 488 O TYR A 38 -10.940 25.365 -3.583 1.00 0.00 O ATOM 489 CB TYR A 38 -9.096 25.869 -6.325 1.00 0.00 C ATOM 490 CG TYR A 38 -8.807 26.832 -7.477 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.814 27.214 -8.390 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.514 27.364 -7.635 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.535 28.106 -9.436 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.230 28.261 -8.678 1.00 0.00 C ATOM 495 CZ TYR A 38 -8.240 28.633 -9.582 1.00 0.00 C ATOM 496 OH TYR A 38 -7.960 29.496 -10.601 1.00 0.00 O ATOM 0 H TYR A 38 -12.005 27.210 -6.302 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.053 25.247 -6.761 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.523 26.187 -5.454 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.733 24.879 -6.601 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.812 26.814 -8.282 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.732 27.080 -6.947 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.314 28.388 -10.129 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.234 28.665 -8.785 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.019 29.764 -10.553 1.00 0.00 H new ATOM 506 N PRO A 39 -11.028 23.530 -4.873 1.00 0.00 N ATOM 507 CA PRO A 39 -10.917 22.761 -6.109 1.00 0.00 C ATOM 508 C PRO A 39 -12.063 23.013 -7.098 1.00 0.00 C ATOM 509 O PRO A 39 -13.225 23.083 -6.706 1.00 0.00 O ATOM 510 CB PRO A 39 -10.888 21.295 -5.666 1.00 0.00 C ATOM 511 CG PRO A 39 -11.725 21.306 -4.389 1.00 0.00 C ATOM 512 CD PRO A 39 -11.329 22.641 -3.761 1.00 0.00 C ATOM 0 HA PRO A 39 -10.022 23.057 -6.656 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.314 20.636 -6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.871 20.950 -5.479 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.793 21.256 -4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.489 20.463 -3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.138 23.040 -3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.464 22.525 -3.108 1.00 0.00 H new ATOM 520 N HIS A 40 -11.705 23.138 -8.387 1.00 0.00 N ATOM 521 CA HIS A 40 -12.591 23.398 -9.521 1.00 0.00 C ATOM 522 C HIS A 40 -12.239 22.477 -10.688 1.00 0.00 C ATOM 523 O HIS A 40 -11.205 21.819 -10.668 1.00 0.00 O ATOM 524 CB HIS A 40 -12.379 24.847 -9.998 1.00 0.00 C ATOM 525 CG HIS A 40 -13.442 25.829 -9.588 1.00 0.00 C ATOM 526 ND1 HIS A 40 -13.779 26.902 -10.399 1.00 0.00 N ATOM 527 CD2 HIS A 40 -14.245 25.944 -8.480 1.00 0.00 C ATOM 528 CE1 HIS A 40 -14.750 27.585 -9.775 1.00 0.00 C ATOM 529 NE2 HIS A 40 -15.086 27.045 -8.604 1.00 0.00 N ATOM 0 H HIS A 40 -10.730 23.054 -8.676 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.621 23.229 -9.206 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.419 25.198 -9.619 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.311 24.846 -11.086 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -13.365 27.130 -11.303 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -14.226 25.275 -7.633 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -15.210 28.476 -10.178 1.00 0.00 H new ATOM 537 N THR A 41 -13.114 22.439 -11.703 1.00 0.00 N ATOM 538 CA THR A 41 -12.986 21.676 -12.921 1.00 0.00 C ATOM 539 C THR A 41 -11.942 22.333 -13.828 1.00 0.00 C ATOM 540 O THR A 41 -11.902 23.560 -13.920 1.00 0.00 O ATOM 541 CB THR A 41 -14.363 21.726 -13.603 1.00 0.00 C ATOM 542 OG1 THR A 41 -15.417 21.552 -12.677 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.447 20.622 -14.638 1.00 0.00 C ATOM 0 H THR A 41 -13.979 22.979 -11.679 1.00 0.00 H new ATOM 0 HA THR A 41 -12.673 20.651 -12.722 1.00 0.00 H new ATOM 0 HB THR A 41 -14.468 22.708 -14.065 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.127 20.949 -11.961 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.422 20.653 -15.125 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.664 20.762 -15.384 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.315 19.656 -14.151 1.00 0.00 H new ATOM 551 N TYR A 42 -11.103 21.532 -14.501 1.00 0.00 N ATOM 552 CA TYR A 42 -10.082 22.041 -15.411 1.00 0.00 C ATOM 553 C TYR A 42 -10.683 22.132 -16.816 1.00 0.00 C ATOM 554 O TYR A 42 -10.486 21.241 -17.643 1.00 0.00 O ATOM 555 CB TYR A 42 -8.825 21.156 -15.368 1.00 0.00 C ATOM 556 CG TYR A 42 -7.506 21.827 -15.742 1.00 0.00 C ATOM 557 CD1 TYR A 42 -7.438 22.822 -16.740 1.00 0.00 C ATOM 558 CD2 TYR A 42 -6.326 21.448 -15.072 1.00 0.00 C ATOM 559 CE1 TYR A 42 -6.211 23.432 -17.056 1.00 0.00 C ATOM 560 CE2 TYR A 42 -5.100 22.058 -15.388 1.00 0.00 C ATOM 561 CZ TYR A 42 -5.039 23.046 -16.383 1.00 0.00 C ATOM 562 OH TYR A 42 -3.845 23.636 -16.687 1.00 0.00 O ATOM 0 H TYR A 42 -11.118 20.515 -14.426 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.765 23.038 -15.104 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.728 20.750 -14.361 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.980 20.311 -16.039 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.335 23.117 -17.265 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.364 20.683 -14.310 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.169 24.198 -17.816 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.202 21.766 -14.864 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.138 23.252 -16.127 1.00 0.00 H new ATOM 572 N ASN A 43 -11.422 23.214 -17.090 1.00 0.00 N ATOM 573 CA ASN A 43 -12.031 23.432 -18.394 1.00 0.00 C ATOM 574 C ASN A 43 -10.925 23.759 -19.402 1.00 0.00 C ATOM 575 O ASN A 43 -9.927 24.378 -19.041 1.00 0.00 O ATOM 576 CB ASN A 43 -13.079 24.550 -18.298 1.00 0.00 C ATOM 577 CG ASN A 43 -13.940 24.688 -19.555 1.00 0.00 C ATOM 578 OD1 ASN A 43 -13.990 23.792 -20.397 1.00 0.00 O ATOM 579 ND2 ASN A 43 -14.636 25.822 -19.677 1.00 0.00 N ATOM 0 H ASN A 43 -11.610 23.955 -16.414 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.549 22.535 -18.734 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.727 24.358 -17.443 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.573 25.496 -18.108 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.235 25.968 -20.490 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.568 26.542 -18.958 1.00 0.00 H new ATOM 586 N ASN A 44 -11.115 23.328 -20.655 1.00 0.00 N ATOM 587 CA ASN A 44 -10.208 23.488 -21.787 1.00 0.00 C ATOM 588 C ASN A 44 -8.975 22.589 -21.640 1.00 0.00 C ATOM 589 O ASN A 44 -8.293 22.629 -20.616 1.00 0.00 O ATOM 590 CB ASN A 44 -9.897 24.968 -22.107 1.00 0.00 C ATOM 591 CG ASN A 44 -8.563 25.497 -21.571 1.00 0.00 C ATOM 592 OD1 ASN A 44 -7.501 25.140 -22.077 1.00 0.00 O ATOM 593 ND2 ASN A 44 -8.610 26.363 -20.556 1.00 0.00 N ATOM 0 H ASN A 44 -11.963 22.826 -20.917 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.724 23.137 -22.680 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.910 25.097 -23.189 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.700 25.585 -21.703 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.746 26.751 -20.176 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.509 26.637 -20.161 1.00 0.00 H new ATOM 600 N TYR A 45 -8.700 21.772 -22.666 1.00 0.00 N ATOM 601 CA TYR A 45 -7.562 20.861 -22.698 1.00 0.00 C ATOM 602 C TYR A 45 -6.425 21.493 -23.504 1.00 0.00 C ATOM 603 O TYR A 45 -5.905 20.893 -24.444 1.00 0.00 O ATOM 604 CB TYR A 45 -8.015 19.497 -23.241 1.00 0.00 C ATOM 605 CG TYR A 45 -6.987 18.385 -23.114 1.00 0.00 C ATOM 606 CD1 TYR A 45 -6.563 17.959 -21.839 1.00 0.00 C ATOM 607 CD2 TYR A 45 -6.459 17.768 -24.264 1.00 0.00 C ATOM 608 CE1 TYR A 45 -5.610 16.932 -21.718 1.00 0.00 C ATOM 609 CE2 TYR A 45 -5.513 16.735 -24.141 1.00 0.00 C ATOM 610 CZ TYR A 45 -5.088 16.317 -22.867 1.00 0.00 C ATOM 611 OH TYR A 45 -4.172 15.313 -22.745 1.00 0.00 O ATOM 0 H TYR A 45 -9.275 21.730 -23.507 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.173 20.686 -21.695 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.921 19.196 -22.716 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.279 19.610 -24.293 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.971 18.422 -20.953 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.781 18.089 -25.243 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.279 16.616 -20.740 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.112 16.262 -25.025 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.914 14.996 -23.636 1.00 0.00 H new ATOM 621 N GLU A 46 -6.051 22.723 -23.126 1.00 0.00 N ATOM 622 CA GLU A 46 -4.983 23.490 -23.745 1.00 0.00 C ATOM 623 C GLU A 46 -4.429 24.464 -22.700 1.00 0.00 C ATOM 624 O GLU A 46 -4.416 25.677 -22.902 1.00 0.00 O ATOM 625 CB GLU A 46 -5.514 24.180 -25.014 1.00 0.00 C ATOM 626 CG GLU A 46 -4.383 24.712 -25.904 1.00 0.00 C ATOM 627 CD GLU A 46 -4.940 25.325 -27.185 1.00 0.00 C ATOM 628 OE1 GLU A 46 -5.238 26.538 -27.154 1.00 0.00 O ATOM 629 OE2 GLU A 46 -5.065 24.567 -28.171 1.00 0.00 O ATOM 0 H GLU A 46 -6.502 23.219 -22.357 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.160 22.853 -24.070 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.119 23.474 -25.583 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.168 25.004 -24.730 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.807 25.460 -25.359 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.698 23.901 -26.152 1.00 0.00 H new ATOM 636 N GLY A 47 -3.982 23.902 -21.567 1.00 0.00 N ATOM 637 CA GLY A 47 -3.401 24.613 -20.437 1.00 0.00 C ATOM 638 C GLY A 47 -1.986 24.096 -20.198 1.00 0.00 C ATOM 639 O GLY A 47 -1.034 24.875 -20.178 1.00 0.00 O ATOM 0 H GLY A 47 -4.021 22.894 -21.415 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.381 25.684 -20.636 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.011 24.466 -19.546 1.00 0.00 H new ATOM 643 N PHE A 48 -1.858 22.777 -20.009 1.00 0.00 N ATOM 644 CA PHE A 48 -0.589 22.099 -19.789 1.00 0.00 C ATOM 645 C PHE A 48 -0.727 20.622 -20.163 1.00 0.00 C ATOM 646 O PHE A 48 -1.816 20.154 -20.493 1.00 0.00 O ATOM 647 CB PHE A 48 -0.109 22.289 -18.336 1.00 0.00 C ATOM 648 CG PHE A 48 1.250 22.957 -18.165 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.356 22.595 -18.962 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.409 23.951 -17.182 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.602 23.216 -18.778 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.660 24.569 -16.996 1.00 0.00 C ATOM 653 CZ PHE A 48 3.757 24.201 -17.790 1.00 0.00 C ATOM 0 H PHE A 48 -2.657 22.143 -20.006 1.00 0.00 H new ATOM 0 HA PHE A 48 0.174 22.540 -20.430 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.853 22.881 -17.803 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.075 21.312 -17.855 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.244 21.834 -19.720 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.569 24.241 -16.568 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.441 22.936 -19.397 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.776 25.330 -16.239 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.717 24.674 -17.642 1.00 0.00 H new ATOM 663 N ASP A 49 0.390 19.890 -20.097 1.00 0.00 N ATOM 664 CA ASP A 49 0.480 18.483 -20.434 1.00 0.00 C ATOM 665 C ASP A 49 0.222 17.613 -19.208 1.00 0.00 C ATOM 666 O ASP A 49 0.717 17.896 -18.118 1.00 0.00 O ATOM 667 CB ASP A 49 1.872 18.189 -21.004 1.00 0.00 C ATOM 668 CG ASP A 49 2.100 18.909 -22.329 1.00 0.00 C ATOM 669 OD1 ASP A 49 1.712 18.328 -23.367 1.00 0.00 O ATOM 670 OD2 ASP A 49 2.654 20.029 -22.281 1.00 0.00 O ATOM 0 H ASP A 49 1.282 20.283 -19.796 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.280 18.249 -21.180 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.632 18.497 -20.286 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.987 17.115 -21.149 1.00 0.00 H new ATOM 675 N PHE A 50 -0.570 16.558 -19.417 1.00 0.00 N ATOM 676 CA PHE A 50 -0.957 15.561 -18.435 1.00 0.00 C ATOM 677 C PHE A 50 -1.184 14.282 -19.253 1.00 0.00 C ATOM 678 O PHE A 50 -2.213 14.180 -19.920 1.00 0.00 O ATOM 679 CB PHE A 50 -2.223 16.013 -17.692 1.00 0.00 C ATOM 680 CG PHE A 50 -2.092 17.333 -16.951 1.00 0.00 C ATOM 681 CD1 PHE A 50 -1.359 17.405 -15.750 1.00 0.00 C ATOM 682 CD2 PHE A 50 -2.695 18.497 -17.467 1.00 0.00 C ATOM 683 CE1 PHE A 50 -1.234 18.630 -15.070 1.00 0.00 C ATOM 684 CE2 PHE A 50 -2.566 19.722 -16.789 1.00 0.00 C ATOM 685 CZ PHE A 50 -1.838 19.788 -15.589 1.00 0.00 C ATOM 0 H PHE A 50 -0.979 16.373 -20.333 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.205 15.404 -17.662 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.039 16.096 -18.410 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.504 15.239 -16.978 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.892 16.517 -15.350 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.259 18.448 -18.387 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.673 18.681 -14.148 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.027 20.612 -17.191 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.743 20.728 -15.066 1.00 0.00 H new ATOM 695 N PRO A 51 -0.250 13.311 -19.233 1.00 0.00 N ATOM 696 CA PRO A 51 -0.337 12.076 -20.004 1.00 0.00 C ATOM 697 C PRO A 51 -1.289 11.030 -19.406 1.00 0.00 C ATOM 698 O PRO A 51 -0.886 9.905 -19.116 1.00 0.00 O ATOM 699 CB PRO A 51 1.113 11.588 -20.092 1.00 0.00 C ATOM 700 CG PRO A 51 1.677 11.996 -18.733 1.00 0.00 C ATOM 701 CD PRO A 51 0.989 13.337 -18.469 1.00 0.00 C ATOM 0 HA PRO A 51 -0.777 12.250 -20.986 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.171 10.511 -20.249 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.652 12.060 -20.914 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.443 11.263 -17.961 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.762 12.096 -18.759 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.789 13.470 -17.406 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.622 14.168 -18.781 1.00 0.00 H new ATOM 709 N VAL A 52 -2.561 11.409 -19.235 1.00 0.00 N ATOM 710 CA VAL A 52 -3.640 10.579 -18.716 1.00 0.00 C ATOM 711 C VAL A 52 -4.908 11.013 -19.467 1.00 0.00 C ATOM 712 O VAL A 52 -4.858 11.149 -20.690 1.00 0.00 O ATOM 713 CB VAL A 52 -3.721 10.647 -17.173 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.504 9.998 -16.504 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.850 12.074 -16.634 1.00 0.00 C ATOM 0 H VAL A 52 -2.875 12.351 -19.468 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.477 9.516 -18.897 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.627 10.094 -16.924 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.603 10.069 -15.421 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.445 8.949 -16.795 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.597 10.514 -16.820 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.902 12.049 -15.546 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.984 12.659 -16.942 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.757 12.532 -17.030 1.00 0.00 H new ATOM 725 N ASP A 53 -6.037 11.220 -18.777 1.00 0.00 N ATOM 726 CA ASP A 53 -7.288 11.653 -19.386 1.00 0.00 C ATOM 727 C ASP A 53 -8.043 12.549 -18.403 1.00 0.00 C ATOM 728 O ASP A 53 -8.013 12.313 -17.197 1.00 0.00 O ATOM 729 CB ASP A 53 -8.115 10.426 -19.787 1.00 0.00 C ATOM 730 CG ASP A 53 -9.428 10.816 -20.462 1.00 0.00 C ATOM 731 OD1 ASP A 53 -9.350 11.465 -21.529 1.00 0.00 O ATOM 732 OD2 ASP A 53 -10.487 10.464 -19.897 1.00 0.00 O ATOM 0 H ASP A 53 -6.101 11.088 -17.768 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.091 12.231 -20.289 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.532 9.801 -20.463 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.327 9.827 -18.902 1.00 0.00 H new ATOM 737 N GLY A 54 -8.715 13.582 -18.930 1.00 0.00 N ATOM 738 CA GLY A 54 -9.494 14.534 -18.152 1.00 0.00 C ATOM 739 C GLY A 54 -10.921 14.036 -17.903 1.00 0.00 C ATOM 740 O GLY A 54 -11.255 12.912 -18.278 1.00 0.00 O ATOM 0 H GLY A 54 -8.727 13.776 -19.931 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.000 14.713 -17.197 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.529 15.489 -18.676 1.00 0.00 H new ATOM 744 N PRO A 55 -11.776 14.853 -17.262 1.00 0.00 N ATOM 745 CA PRO A 55 -11.471 16.181 -16.745 1.00 0.00 C ATOM 746 C PRO A 55 -10.579 16.087 -15.507 1.00 0.00 C ATOM 747 O PRO A 55 -10.503 15.039 -14.868 1.00 0.00 O ATOM 748 CB PRO A 55 -12.825 16.806 -16.402 1.00 0.00 C ATOM 749 CG PRO A 55 -13.690 15.597 -16.058 1.00 0.00 C ATOM 750 CD PRO A 55 -13.157 14.500 -16.982 1.00 0.00 C ATOM 0 HA PRO A 55 -10.925 16.784 -17.471 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.748 17.498 -15.563 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.234 17.368 -17.242 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.593 15.320 -15.008 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.746 15.795 -16.239 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.221 13.522 -16.505 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.740 14.446 -17.901 1.00 0.00 H new ATOM 758 N TYR A 56 -9.911 17.196 -15.173 1.00 0.00 N ATOM 759 CA TYR A 56 -9.000 17.295 -14.041 1.00 0.00 C ATOM 760 C TYR A 56 -9.577 18.225 -12.977 1.00 0.00 C ATOM 761 O TYR A 56 -10.596 18.881 -13.195 1.00 0.00 O ATOM 762 CB TYR A 56 -7.632 17.799 -14.523 1.00 0.00 C ATOM 763 CG TYR A 56 -6.991 16.956 -15.604 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.340 17.149 -16.955 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.035 15.987 -15.261 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.750 16.360 -17.956 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.433 15.212 -16.264 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.796 15.386 -17.611 1.00 0.00 C ATOM 769 OH TYR A 56 -5.219 14.623 -18.584 1.00 0.00 O ATOM 0 H TYR A 56 -9.995 18.067 -15.698 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.872 16.309 -13.594 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.746 18.817 -14.895 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.956 17.846 -13.669 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -8.063 17.906 -17.222 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.763 15.838 -14.226 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.029 16.501 -18.990 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.687 14.478 -16.000 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.177 15.135 -19.419 1.00 0.00 H new ATOM 779 N GLN A 57 -8.908 18.258 -11.821 1.00 0.00 N ATOM 780 CA GLN A 57 -9.256 19.079 -10.678 1.00 0.00 C ATOM 781 C GLN A 57 -8.002 19.784 -10.171 1.00 0.00 C ATOM 782 O GLN A 57 -6.932 19.180 -10.096 1.00 0.00 O ATOM 783 CB GLN A 57 -9.940 18.250 -9.586 1.00 0.00 C ATOM 784 CG GLN A 57 -9.099 17.050 -9.137 1.00 0.00 C ATOM 785 CD GLN A 57 -9.634 16.416 -7.859 1.00 0.00 C ATOM 786 OE1 GLN A 57 -10.142 15.297 -7.880 1.00 0.00 O ATOM 787 NE2 GLN A 57 -9.508 17.134 -6.739 1.00 0.00 N ATOM 0 H GLN A 57 -8.078 17.688 -11.658 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.979 19.837 -10.979 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.143 18.888 -8.726 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.903 17.896 -9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.082 16.303 -9.931 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.069 17.370 -8.978 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.079 18.059 -6.772 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.841 16.757 -5.851 1.00 0.00 H new ATOM 796 N GLU A 58 -8.140 21.071 -9.836 1.00 0.00 N ATOM 797 CA GLU A 58 -7.049 21.896 -9.349 1.00 0.00 C ATOM 798 C GLU A 58 -7.018 21.887 -7.831 1.00 0.00 C ATOM 799 O GLU A 58 -8.034 21.635 -7.188 1.00 0.00 O ATOM 800 CB GLU A 58 -7.260 23.365 -9.764 1.00 0.00 C ATOM 801 CG GLU A 58 -7.309 23.599 -11.279 1.00 0.00 C ATOM 802 CD GLU A 58 -8.705 23.368 -11.848 1.00 0.00 C ATOM 803 OE1 GLU A 58 -9.536 24.293 -11.720 1.00 0.00 O ATOM 804 OE2 GLU A 58 -8.918 22.267 -12.397 1.00 0.00 O ATOM 0 H GLU A 58 -9.028 21.568 -9.899 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.127 21.493 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.191 23.723 -9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.455 23.967 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.992 24.618 -11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.602 22.932 -11.772 1.00 0.00 H new ATOM 811 N PHE A 59 -5.837 22.148 -7.264 1.00 0.00 N ATOM 812 CA PHE A 59 -5.674 22.242 -5.831 1.00 0.00 C ATOM 813 C PHE A 59 -4.391 23.011 -5.527 1.00 0.00 C ATOM 814 O PHE A 59 -3.305 22.447 -5.639 1.00 0.00 O ATOM 815 CB PHE A 59 -5.712 20.894 -5.108 1.00 0.00 C ATOM 816 CG PHE A 59 -5.565 21.082 -3.604 1.00 0.00 C ATOM 817 CD1 PHE A 59 -6.354 22.044 -2.942 1.00 0.00 C ATOM 818 CD2 PHE A 59 -4.646 20.319 -2.857 1.00 0.00 C ATOM 819 CE1 PHE A 59 -6.214 22.247 -1.565 1.00 0.00 C ATOM 820 CE2 PHE A 59 -4.533 20.529 -1.469 1.00 0.00 C ATOM 821 CZ PHE A 59 -5.303 21.496 -0.827 1.00 0.00 C ATOM 0 H PHE A 59 -4.977 22.298 -7.792 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.535 22.784 -5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.652 20.386 -5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.911 20.255 -5.479 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.071 22.628 -3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.032 19.577 -3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.818 22.993 -1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.840 19.932 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.194 21.662 0.235 1.00 0.00 H new ATOM 831 N PRO A 60 -4.484 24.292 -5.146 1.00 0.00 N ATOM 832 CA PRO A 60 -3.322 25.091 -4.845 1.00 0.00 C ATOM 833 C PRO A 60 -2.800 24.741 -3.451 1.00 0.00 C ATOM 834 O PRO A 60 -3.516 24.879 -2.461 1.00 0.00 O ATOM 835 CB PRO A 60 -3.797 26.526 -5.025 1.00 0.00 C ATOM 836 CG PRO A 60 -5.239 26.463 -4.525 1.00 0.00 C ATOM 837 CD PRO A 60 -5.696 25.081 -4.995 1.00 0.00 C ATOM 0 HA PRO A 60 -2.463 24.914 -5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.197 27.228 -4.445 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.742 26.844 -6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.297 26.562 -3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.851 27.259 -4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.371 24.625 -4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.238 25.148 -5.938 1.00 0.00 H new ATOM 845 N ILE A 61 -1.545 24.273 -3.384 1.00 0.00 N ATOM 846 CA ILE A 61 -0.893 23.901 -2.141 1.00 0.00 C ATOM 847 C ILE A 61 -0.387 25.113 -1.403 1.00 0.00 C ATOM 848 O ILE A 61 -0.374 26.249 -1.871 1.00 0.00 O ATOM 849 CB ILE A 61 0.190 22.834 -2.345 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.967 22.217 -1.160 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.095 23.126 -3.547 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.401 20.783 -1.461 1.00 0.00 C ATOM 0 H ILE A 61 -0.956 24.144 -4.207 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.647 23.436 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.477 21.995 -2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.845 22.826 -0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.341 22.229 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.841 22.337 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.493 23.166 -4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.595 24.083 -3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.945 20.380 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.521 20.169 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.047 20.775 -2.339 1.00 0.00 H new ATOM 864 N LYS A 62 0.013 24.759 -0.201 1.00 0.00 N ATOM 865 CA LYS A 62 0.542 25.658 0.812 1.00 0.00 C ATOM 866 C LYS A 62 1.705 25.028 1.571 1.00 0.00 C ATOM 867 O LYS A 62 1.760 23.813 1.762 1.00 0.00 O ATOM 868 CB LYS A 62 -0.578 26.092 1.769 1.00 0.00 C ATOM 869 CG LYS A 62 -0.368 27.480 2.391 1.00 0.00 C ATOM 870 CD LYS A 62 -0.654 28.609 1.388 1.00 0.00 C ATOM 871 CE LYS A 62 -0.357 29.988 1.988 1.00 0.00 C ATOM 872 NZ LYS A 62 -1.237 30.301 3.127 1.00 0.00 N ATOM 0 H LYS A 62 -0.022 23.790 0.116 1.00 0.00 H new ATOM 0 HA LYS A 62 0.933 26.543 0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.525 26.087 1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.663 25.356 2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.019 27.591 3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.658 27.565 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.049 28.463 0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.698 28.564 1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.683 30.024 2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.477 30.751 1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.082 31.285 3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.230 30.177 2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.021 29.662 3.919 1.00 0.00 H new ATOM 886 N SER A 63 2.624 25.895 2.008 1.00 0.00 N ATOM 887 CA SER A 63 3.838 25.563 2.738 1.00 0.00 C ATOM 888 C SER A 63 3.541 25.564 4.238 1.00 0.00 C ATOM 889 O SER A 63 4.129 26.332 4.998 1.00 0.00 O ATOM 890 CB SER A 63 4.940 26.561 2.363 1.00 0.00 C ATOM 891 OG SER A 63 5.227 26.473 0.984 1.00 0.00 O ATOM 0 H SER A 63 2.530 26.898 1.850 1.00 0.00 H new ATOM 0 HA SER A 63 4.189 24.566 2.472 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.624 27.574 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.840 26.356 2.943 1.00 0.00 H new ATOM 0 HG SER A 63 4.995 25.578 0.658 1.00 0.00 H new ATOM 897 N GLY A 64 2.612 24.695 4.650 1.00 0.00 N ATOM 898 CA GLY A 64 2.187 24.559 6.032 1.00 0.00 C ATOM 899 C GLY A 64 1.368 23.285 6.208 1.00 0.00 C ATOM 900 O GLY A 64 1.706 22.446 7.042 1.00 0.00 O ATOM 0 H GLY A 64 2.131 24.059 4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.058 24.534 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.593 25.425 6.324 1.00 0.00 H new ATOM 904 N GLY A 65 0.293 23.141 5.421 1.00 0.00 N ATOM 905 CA GLY A 65 -0.573 21.974 5.468 1.00 0.00 C ATOM 906 C GLY A 65 -1.691 22.067 4.431 1.00 0.00 C ATOM 907 O GLY A 65 -1.661 22.919 3.543 1.00 0.00 O ATOM 0 H GLY A 65 0.006 23.838 4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.016 21.074 5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.006 21.880 6.464 1.00 0.00 H new ATOM 911 N VAL A 66 -2.680 21.175 4.562 1.00 0.00 N ATOM 912 CA VAL A 66 -3.842 21.089 3.684 1.00 0.00 C ATOM 913 C VAL A 66 -4.768 22.294 3.883 1.00 0.00 C ATOM 914 O VAL A 66 -4.730 22.958 4.918 1.00 0.00 O ATOM 915 CB VAL A 66 -4.549 19.741 3.918 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.230 19.665 5.292 1.00 0.00 C ATOM 917 CG2 VAL A 66 -5.573 19.409 2.826 1.00 0.00 C ATOM 0 H VAL A 66 -2.690 20.475 5.304 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.527 21.125 2.641 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.753 18.997 3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.713 18.695 5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.483 19.792 6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.978 20.454 5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.039 18.448 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.338 20.185 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.071 19.358 1.860 1.00 0.00 H new ATOM 927 N TYR A 67 -5.604 22.566 2.874 1.00 0.00 N ATOM 928 CA TYR A 67 -6.555 23.667 2.842 1.00 0.00 C ATOM 929 C TYR A 67 -7.641 23.337 1.810 1.00 0.00 C ATOM 930 O TYR A 67 -7.675 22.228 1.276 1.00 0.00 O ATOM 931 CB TYR A 67 -5.792 24.962 2.484 1.00 0.00 C ATOM 932 CG TYR A 67 -6.203 26.268 3.156 1.00 0.00 C ATOM 933 CD1 TYR A 67 -7.408 26.413 3.876 1.00 0.00 C ATOM 934 CD2 TYR A 67 -5.325 27.367 3.057 1.00 0.00 C ATOM 935 CE1 TYR A 67 -7.726 27.639 4.486 1.00 0.00 C ATOM 936 CE2 TYR A 67 -5.643 28.592 3.667 1.00 0.00 C ATOM 937 CZ TYR A 67 -6.840 28.726 4.391 1.00 0.00 C ATOM 938 OH TYR A 67 -7.143 29.912 4.994 1.00 0.00 O ATOM 0 H TYR A 67 -5.632 21.998 2.027 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.036 23.813 3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.738 24.795 2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.873 25.106 1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.089 25.579 3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.401 27.266 2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.653 27.746 5.029 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.968 29.430 3.580 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.423 30.556 4.830 1.00 0.00 H new ATOM 948 N THR A 68 -8.535 24.294 1.538 1.00 0.00 N ATOM 949 CA THR A 68 -9.620 24.169 0.566 1.00 0.00 C ATOM 950 C THR A 68 -10.127 25.564 0.158 1.00 0.00 C ATOM 951 O THR A 68 -11.311 25.742 -0.129 1.00 0.00 O ATOM 952 CB THR A 68 -10.705 23.201 1.073 1.00 0.00 C ATOM 953 OG1 THR A 68 -11.684 22.966 0.081 1.00 0.00 O ATOM 954 CG2 THR A 68 -11.355 23.727 2.347 1.00 0.00 C ATOM 0 H THR A 68 -8.521 25.202 2.003 1.00 0.00 H new ATOM 0 HA THR A 68 -9.252 23.712 -0.352 1.00 0.00 H new ATOM 0 HB THR A 68 -10.218 22.253 1.302 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.920 23.812 -0.353 1.00 0.00 H new ATOM 0 HG21 THR A 68 -12.117 23.024 2.683 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.597 23.839 3.123 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.816 24.694 2.148 1.00 0.00 H new ATOM 962 N GLY A 69 -9.220 26.553 0.122 1.00 0.00 N ATOM 963 CA GLY A 69 -9.513 27.939 -0.221 1.00 0.00 C ATOM 964 C GLY A 69 -8.409 28.596 -1.054 1.00 0.00 C ATOM 965 O GLY A 69 -8.683 29.556 -1.770 1.00 0.00 O ATOM 0 H GLY A 69 -8.235 26.398 0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.451 27.980 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.658 28.511 0.695 1.00 0.00 H new ATOM 969 N GLY A 70 -7.163 28.107 -0.970 1.00 0.00 N ATOM 970 CA GLY A 70 -6.049 28.652 -1.730 1.00 0.00 C ATOM 971 C GLY A 70 -5.757 30.103 -1.349 1.00 0.00 C ATOM 972 O GLY A 70 -5.891 30.472 -0.182 1.00 0.00 O ATOM 0 H GLY A 70 -6.908 27.322 -0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.160 28.045 -1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.273 28.594 -2.795 1.00 0.00 H new ATOM 976 N SER A 71 -5.367 30.909 -2.349 1.00 0.00 N ATOM 977 CA SER A 71 -5.048 32.329 -2.243 1.00 0.00 C ATOM 978 C SER A 71 -3.836 32.580 -1.330 1.00 0.00 C ATOM 979 O SER A 71 -3.993 32.546 -0.110 1.00 0.00 O ATOM 980 CB SER A 71 -6.286 33.120 -1.792 1.00 0.00 C ATOM 981 OG SER A 71 -6.009 34.503 -1.818 1.00 0.00 O ATOM 0 H SER A 71 -5.262 30.562 -3.302 1.00 0.00 H new ATOM 0 HA SER A 71 -4.761 32.687 -3.232 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.129 32.897 -2.446 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.575 32.817 -0.786 1.00 0.00 H new ATOM 0 HG SER A 71 -6.803 35.001 -1.531 1.00 0.00 H new ATOM 987 N PRO A 72 -2.629 32.846 -1.870 1.00 0.00 N ATOM 988 CA PRO A 72 -2.251 32.873 -3.283 1.00 0.00 C ATOM 989 C PRO A 72 -2.492 31.546 -4.008 1.00 0.00 C ATOM 990 O PRO A 72 -2.624 30.502 -3.371 1.00 0.00 O ATOM 991 CB PRO A 72 -0.758 33.221 -3.310 1.00 0.00 C ATOM 992 CG PRO A 72 -0.528 33.931 -1.980 1.00 0.00 C ATOM 993 CD PRO A 72 -1.478 33.182 -1.052 1.00 0.00 C ATOM 0 HA PRO A 72 -2.869 33.601 -3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.140 32.327 -3.399 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.512 33.864 -4.155 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.508 33.855 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.767 34.993 -2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.008 32.285 -0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.767 33.801 -0.202 1.00 0.00 H new ATOM 1001 N GLY A 73 -2.533 31.603 -5.347 1.00 0.00 N ATOM 1002 CA GLY A 73 -2.771 30.450 -6.203 1.00 0.00 C ATOM 1003 C GLY A 73 -1.644 30.189 -7.204 1.00 0.00 C ATOM 1004 O GLY A 73 -1.935 29.869 -8.356 1.00 0.00 O ATOM 0 H GLY A 73 -2.398 32.470 -5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.904 29.566 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.703 30.599 -6.748 1.00 0.00 H new ATOM 1008 N ALA A 74 -0.373 30.320 -6.787 1.00 0.00 N ATOM 1009 CA ALA A 74 0.757 30.059 -7.670 1.00 0.00 C ATOM 1010 C ALA A 74 1.091 28.581 -7.554 1.00 0.00 C ATOM 1011 O ALA A 74 0.791 27.843 -8.480 1.00 0.00 O ATOM 1012 CB ALA A 74 1.979 30.919 -7.358 1.00 0.00 C ATOM 0 H ALA A 74 -0.111 30.605 -5.843 1.00 0.00 H new ATOM 0 HA ALA A 74 0.475 30.324 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.783 30.674 -8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.719 31.972 -7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.309 30.725 -6.337 1.00 0.00 H new ATOM 1018 N ASP A 75 1.692 28.161 -6.432 1.00 0.00 N ATOM 1019 CA ASP A 75 2.068 26.779 -6.162 1.00 0.00 C ATOM 1020 C ASP A 75 0.840 25.864 -6.153 1.00 0.00 C ATOM 1021 O ASP A 75 -0.018 25.970 -5.278 1.00 0.00 O ATOM 1022 CB ASP A 75 2.913 26.686 -4.878 1.00 0.00 C ATOM 1023 CG ASP A 75 2.425 27.530 -3.693 1.00 0.00 C ATOM 1024 OD1 ASP A 75 1.209 27.805 -3.618 1.00 0.00 O ATOM 1025 OD2 ASP A 75 3.293 27.900 -2.873 1.00 0.00 O ATOM 0 H ASP A 75 1.934 28.796 -5.671 1.00 0.00 H new ATOM 0 HA ASP A 75 2.701 26.419 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.950 25.643 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.934 26.984 -5.116 1.00 0.00 H new ATOM 1030 N ARG A 76 0.770 24.966 -7.146 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.322 24.027 -7.327 1.00 0.00 C ATOM 1032 C ARG A 76 0.107 22.587 -7.578 1.00 0.00 C ATOM 1033 O ARG A 76 1.234 22.286 -7.971 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.119 24.394 -8.596 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.043 25.613 -8.586 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.814 25.559 -9.914 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.749 26.674 -10.091 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.464 26.866 -11.216 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.418 25.979 -12.223 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -5.226 27.959 -11.345 1.00 0.00 N ATOM 0 H ARG A 76 1.495 24.879 -7.858 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.882 24.092 -6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.399 24.538 -9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.726 23.528 -8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.724 25.581 -7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.471 26.537 -8.502 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.102 25.558 -10.739 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.365 24.620 -9.967 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.864 27.337 -9.324 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.836 25.145 -12.142 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.965 26.139 -13.069 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.265 28.646 -10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.768 28.105 -12.197 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.881 21.723 -7.335 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.904 20.293 -7.537 1.00 0.00 C ATOM 1056 C VAL A 77 -2.245 20.116 -8.243 1.00 0.00 C ATOM 1057 O VAL A 77 -3.223 20.792 -7.917 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.725 19.419 -6.296 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.654 19.646 -5.670 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.797 19.596 -5.217 1.00 0.00 C ATOM 0 H VAL A 77 -1.768 22.052 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.041 19.943 -8.103 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.827 18.398 -6.664 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.762 19.015 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.428 19.393 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.755 20.692 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.582 18.934 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.798 20.630 -4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.775 19.351 -5.632 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.291 19.207 -9.213 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.479 18.985 -10.024 1.00 0.00 C ATOM 1072 C VAL A 78 -3.685 17.480 -10.226 1.00 0.00 C ATOM 1073 O VAL A 78 -2.831 16.787 -10.781 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.285 19.794 -11.325 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.401 19.581 -12.352 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.174 21.306 -11.021 1.00 0.00 C ATOM 0 H VAL A 78 -1.505 18.605 -9.457 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.397 19.333 -9.550 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.358 19.421 -11.761 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.198 20.180 -13.240 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.445 18.527 -12.628 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.355 19.883 -11.920 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.038 21.855 -11.953 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.085 21.646 -10.529 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.320 21.484 -10.367 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.844 16.994 -9.765 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.266 15.600 -9.817 1.00 0.00 C ATOM 1088 C ILE A 79 -6.277 15.398 -10.944 1.00 0.00 C ATOM 1089 O ILE A 79 -6.712 16.355 -11.579 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.939 15.179 -8.482 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -5.747 16.157 -7.310 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.514 13.776 -8.039 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -6.432 15.625 -6.050 1.00 0.00 C ATOM 0 H ILE A 79 -5.542 17.595 -9.326 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.379 14.991 -9.990 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.001 15.191 -8.726 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.683 16.301 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.159 17.132 -7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.010 13.525 -7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.796 13.052 -8.804 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.434 13.751 -7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.286 16.330 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.499 15.505 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.000 14.661 -5.781 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.633 14.133 -11.187 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.625 13.726 -12.168 1.00 0.00 C ATOM 1107 C ASN A 80 -8.933 13.765 -11.378 1.00 0.00 C ATOM 1108 O ASN A 80 -8.910 13.730 -10.145 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.331 12.326 -12.716 1.00 0.00 C ATOM 1110 CG ASN A 80 -8.186 11.924 -13.918 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -8.952 12.720 -14.454 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -8.046 10.670 -14.354 1.00 0.00 N ATOM 0 H ASN A 80 -6.222 13.345 -10.687 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.645 14.368 -13.049 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.280 12.274 -13.000 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.482 11.598 -11.919 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.585 10.346 -15.157 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.400 10.036 -13.884 1.00 0.00 H new ATOM 1119 N THR A 81 -10.075 13.819 -12.060 1.00 0.00 N ATOM 1120 CA THR A 81 -11.357 13.919 -11.375 1.00 0.00 C ATOM 1121 C THR A 81 -11.713 12.844 -10.369 1.00 0.00 C ATOM 1122 O THR A 81 -12.535 13.097 -9.485 1.00 0.00 O ATOM 1123 CB THR A 81 -12.498 14.320 -12.315 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.665 14.640 -11.586 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.792 13.161 -13.263 1.00 0.00 C ATOM 0 H THR A 81 -10.137 13.795 -13.078 1.00 0.00 H new ATOM 0 HA THR A 81 -11.195 14.756 -10.695 1.00 0.00 H new ATOM 0 HB THR A 81 -12.194 15.202 -12.879 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.607 14.251 -10.688 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.603 13.438 -13.936 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.900 12.932 -13.846 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.083 12.284 -12.686 1.00 0.00 H new ATOM 1133 N ASN A 82 -11.109 11.666 -10.474 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.396 10.638 -9.513 1.00 0.00 C ATOM 1135 C ASN A 82 -10.446 10.899 -8.346 1.00 0.00 C ATOM 1136 O ASN A 82 -10.845 11.406 -7.301 1.00 0.00 O ATOM 1137 CB ASN A 82 -11.209 9.258 -10.163 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.304 8.126 -9.142 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -12.189 8.128 -8.289 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -10.385 7.159 -9.220 1.00 0.00 N ATOM 0 H ASN A 82 -10.437 11.414 -11.199 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.426 10.650 -9.155 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.966 9.115 -10.934 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.239 9.219 -10.658 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.402 6.385 -8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.667 7.195 -9.944 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.183 10.542 -8.570 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.092 10.625 -7.601 1.00 0.00 C ATOM 1149 C CYS A 83 -6.673 10.509 -8.185 1.00 0.00 C ATOM 1150 O CYS A 83 -5.716 10.617 -7.420 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.289 9.536 -6.530 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.860 9.986 -4.825 1.00 0.00 S ATOM 0 H CYS A 83 -8.879 10.171 -9.470 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.149 11.631 -7.185 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.334 9.226 -6.548 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.694 8.668 -6.813 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.499 10.306 -9.502 1.00 0.00 N ATOM 1158 CA GLU A 84 -5.171 10.089 -10.085 1.00 0.00 C ATOM 1159 C GLU A 84 -4.343 11.357 -10.288 1.00 0.00 C ATOM 1160 O GLU A 84 -4.638 12.162 -11.165 1.00 0.00 O ATOM 1161 CB GLU A 84 -5.328 9.306 -11.398 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.980 8.803 -11.936 1.00 0.00 C ATOM 1163 CD GLU A 84 -4.121 8.023 -13.244 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -5.267 7.664 -13.593 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -3.068 7.793 -13.877 1.00 0.00 O ATOM 0 H GLU A 84 -7.262 10.288 -10.179 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.598 9.512 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.993 8.457 -11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.801 9.943 -12.145 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.317 9.653 -12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.509 8.166 -11.187 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.292 11.509 -9.469 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.379 12.645 -9.485 1.00 0.00 C ATOM 1174 C TYR A 85 -1.774 12.787 -10.887 1.00 0.00 C ATOM 1175 O TYR A 85 -0.941 11.976 -11.290 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.333 12.467 -8.371 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.437 13.655 -8.050 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.635 14.917 -8.651 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.614 13.494 -7.123 1.00 0.00 C ATOM 1180 CE1 TYR A 85 0.203 15.995 -8.330 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.465 14.564 -6.825 1.00 0.00 C ATOM 1182 CZ TYR A 85 1.260 15.813 -7.427 1.00 0.00 C ATOM 1183 OH TYR A 85 2.081 16.853 -7.126 1.00 0.00 O ATOM 0 H TYR A 85 -3.053 10.819 -8.757 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.900 13.579 -9.276 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.859 12.186 -7.458 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.693 11.627 -8.642 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.436 15.053 -9.362 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.763 12.539 -6.640 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.034 16.963 -8.778 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.281 14.427 -6.130 1.00 0.00 H new ATOM 0 HH TYR A 85 3.002 16.625 -7.373 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.194 13.831 -11.617 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.771 14.109 -12.980 1.00 0.00 C ATOM 1195 C ALA A 86 -0.401 14.787 -13.040 1.00 0.00 C ATOM 1196 O ALA A 86 0.524 14.243 -13.640 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.862 14.934 -13.667 1.00 0.00 C ATOM 0 H ALA A 86 -2.856 14.519 -11.257 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.642 13.168 -13.515 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.562 15.152 -14.692 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.795 14.370 -13.674 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.008 15.868 -13.125 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.270 15.969 -12.425 1.00 0.00 N ATOM 1204 CA GLY A 87 0.972 16.730 -12.417 1.00 0.00 C ATOM 1205 C GLY A 87 0.853 17.955 -11.510 1.00 0.00 C ATOM 1206 O GLY A 87 -0.221 18.229 -10.981 1.00 0.00 O ATOM 0 H GLY A 87 -1.031 16.421 -11.918 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.790 16.096 -12.074 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.217 17.045 -13.431 1.00 0.00 H new ATOM 1210 N ALA A 88 1.961 18.689 -11.345 1.00 0.00 N ATOM 1211 CA ALA A 88 2.045 19.877 -10.504 1.00 0.00 C ATOM 1212 C ALA A 88 2.710 21.022 -11.259 1.00 0.00 C ATOM 1213 O ALA A 88 3.607 20.792 -12.069 1.00 0.00 O ATOM 1214 CB ALA A 88 2.800 19.518 -9.230 1.00 0.00 C ATOM 0 H ALA A 88 2.842 18.463 -11.806 1.00 0.00 H new ATOM 0 HA ALA A 88 1.046 20.219 -10.234 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.871 20.397 -8.589 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.268 18.727 -8.702 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.802 19.173 -9.486 1.00 0.00 H new ATOM 1220 N ILE A 89 2.269 22.256 -10.977 1.00 0.00 N ATOM 1221 CA ILE A 89 2.756 23.471 -11.623 1.00 0.00 C ATOM 1222 C ILE A 89 2.815 24.633 -10.623 1.00 0.00 C ATOM 1223 O ILE A 89 2.333 24.484 -9.503 1.00 0.00 O ATOM 1224 CB ILE A 89 1.849 23.780 -12.833 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.382 23.987 -12.403 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.948 22.659 -13.876 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.547 24.312 -13.576 1.00 0.00 C ATOM 0 H ILE A 89 1.548 22.435 -10.278 1.00 0.00 H new ATOM 0 HA ILE A 89 3.775 23.326 -11.981 1.00 0.00 H new ATOM 0 HB ILE A 89 2.198 24.711 -13.280 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.025 23.086 -11.904 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.334 24.796 -11.674 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.303 22.892 -14.723 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.979 22.571 -14.219 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.633 21.717 -13.428 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.564 24.446 -13.208 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.213 25.229 -14.062 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.526 23.493 -14.294 1.00 0.00 H new ATOM 1239 N THR A 90 3.406 25.785 -10.999 1.00 0.00 N ATOM 1240 CA THR A 90 3.506 26.927 -10.088 1.00 0.00 C ATOM 1241 C THR A 90 3.743 28.300 -10.736 1.00 0.00 C ATOM 1242 O THR A 90 4.455 28.374 -11.735 1.00 0.00 O ATOM 1243 CB THR A 90 4.647 26.672 -9.084 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.631 27.666 -8.082 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.028 26.674 -9.755 1.00 0.00 C ATOM 0 H THR A 90 3.816 25.942 -11.920 1.00 0.00 H new ATOM 0 HA THR A 90 2.523 26.989 -9.621 1.00 0.00 H new ATOM 0 HB THR A 90 4.479 25.684 -8.655 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.975 27.292 -7.244 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.797 26.490 -9.005 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.065 25.891 -10.513 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.203 27.642 -10.224 1.00 0.00 H new ATOM 1253 N HIS A 91 3.138 29.383 -10.193 1.00 0.00 N ATOM 1254 CA HIS A 91 3.435 30.734 -10.711 1.00 0.00 C ATOM 1255 C HIS A 91 4.769 31.262 -10.150 1.00 0.00 C ATOM 1256 O HIS A 91 5.431 32.058 -10.814 1.00 0.00 O ATOM 1257 CB HIS A 91 2.425 31.891 -10.504 1.00 0.00 C ATOM 1258 CG HIS A 91 1.130 31.886 -11.249 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.292 32.991 -11.262 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.508 30.948 -12.017 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.773 32.674 -12.016 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.698 31.438 -12.512 1.00 0.00 N ATOM 0 H HIS A 91 2.467 29.351 -9.426 1.00 0.00 H new ATOM 0 HA HIS A 91 3.418 30.514 -11.778 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.189 31.930 -9.441 1.00 0.00 H new ATOM 0 HB3 HIS A 91 2.939 32.820 -10.751 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.897 29.960 -12.215 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.599 33.345 -12.200 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.369 30.962 -13.115 1.00 0.00 H new ATOM 1270 N THR A 92 5.167 30.844 -8.936 1.00 0.00 N ATOM 1271 CA THR A 92 6.383 31.293 -8.261 1.00 0.00 C ATOM 1272 C THR A 92 7.647 31.139 -9.107 1.00 0.00 C ATOM 1273 O THR A 92 8.462 32.057 -9.181 1.00 0.00 O ATOM 1274 CB THR A 92 6.481 30.687 -6.850 1.00 0.00 C ATOM 1275 OG1 THR A 92 7.106 31.609 -5.982 1.00 0.00 O ATOM 1276 CG2 THR A 92 7.269 29.380 -6.796 1.00 0.00 C ATOM 0 H THR A 92 4.634 30.168 -8.389 1.00 0.00 H new ATOM 0 HA THR A 92 6.304 32.372 -8.129 1.00 0.00 H new ATOM 0 HB THR A 92 5.458 30.469 -6.545 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.166 31.223 -5.083 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.295 29.013 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.788 28.639 -7.434 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.287 29.554 -7.145 1.00 0.00 H new ATOM 1284 N GLY A 93 7.794 29.980 -9.749 1.00 0.00 N ATOM 1285 CA GLY A 93 8.921 29.664 -10.609 1.00 0.00 C ATOM 1286 C GLY A 93 8.777 30.314 -11.986 1.00 0.00 C ATOM 1287 O GLY A 93 9.776 30.508 -12.675 1.00 0.00 O ATOM 0 H GLY A 93 7.115 29.222 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.844 30.004 -10.140 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.001 28.583 -10.723 1.00 0.00 H new ATOM 1291 N ALA A 94 7.542 30.660 -12.379 1.00 0.00 N ATOM 1292 CA ALA A 94 7.241 31.267 -13.664 1.00 0.00 C ATOM 1293 C ALA A 94 7.669 32.733 -13.719 1.00 0.00 C ATOM 1294 O ALA A 94 7.963 33.349 -12.695 1.00 0.00 O ATOM 1295 CB ALA A 94 5.745 31.128 -13.950 1.00 0.00 C ATOM 0 H ALA A 94 6.717 30.519 -11.796 1.00 0.00 H new ATOM 0 HA ALA A 94 7.811 30.744 -14.432 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.515 31.582 -14.914 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.476 30.072 -13.973 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.177 31.630 -13.167 1.00 0.00 H new ATOM 1301 N SER A 95 7.688 33.281 -14.940 1.00 0.00 N ATOM 1302 CA SER A 95 8.076 34.656 -15.212 1.00 0.00 C ATOM 1303 C SER A 95 7.089 35.652 -14.601 1.00 0.00 C ATOM 1304 O SER A 95 7.512 36.710 -14.138 1.00 0.00 O ATOM 1305 CB SER A 95 8.197 34.861 -16.726 1.00 0.00 C ATOM 1306 OG SER A 95 8.710 36.144 -17.008 1.00 0.00 O ATOM 0 H SER A 95 7.427 32.764 -15.779 1.00 0.00 H new ATOM 0 HA SER A 95 9.044 34.842 -14.746 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.850 34.099 -17.152 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.220 34.742 -17.195 1.00 0.00 H new ATOM 0 HG SER A 95 8.784 36.261 -17.978 1.00 0.00 H new ATOM 1312 N GLY A 96 5.788 35.329 -14.590 1.00 0.00 N ATOM 1313 CA GLY A 96 4.790 36.218 -14.019 1.00 0.00 C ATOM 1314 C GLY A 96 3.439 35.531 -13.839 1.00 0.00 C ATOM 1315 O GLY A 96 3.259 34.766 -12.891 1.00 0.00 O ATOM 0 H GLY A 96 5.412 34.460 -14.970 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.141 36.583 -13.054 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.670 37.088 -14.664 1.00 0.00 H new ATOM 1319 N ASN A 97 2.499 35.799 -14.755 1.00 0.00 N ATOM 1320 CA ASN A 97 1.145 35.258 -14.718 1.00 0.00 C ATOM 1321 C ASN A 97 1.061 33.819 -15.234 1.00 0.00 C ATOM 1322 O ASN A 97 0.113 33.112 -14.896 1.00 0.00 O ATOM 1323 CB ASN A 97 0.222 36.190 -15.513 1.00 0.00 C ATOM 1324 CG ASN A 97 -1.249 35.794 -15.392 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.784 35.710 -14.288 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -1.905 35.552 -16.529 1.00 0.00 N ATOM 0 H ASN A 97 2.667 36.410 -15.555 1.00 0.00 H new ATOM 0 HA ASN A 97 0.824 35.212 -13.677 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.351 37.213 -15.159 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.514 36.177 -16.563 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.889 35.286 -16.503 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.422 35.634 -17.424 1.00 0.00 H new ATOM 1333 N ASN A 98 2.028 33.370 -16.047 1.00 0.00 N ATOM 1334 CA ASN A 98 2.032 32.008 -16.565 1.00 0.00 C ATOM 1335 C ASN A 98 2.443 31.015 -15.469 1.00 0.00 C ATOM 1336 O ASN A 98 2.725 31.409 -14.337 1.00 0.00 O ATOM 1337 CB ASN A 98 2.931 31.908 -17.808 1.00 0.00 C ATOM 1338 CG ASN A 98 4.421 31.956 -17.473 1.00 0.00 C ATOM 1339 OD1 ASN A 98 5.099 30.931 -17.516 1.00 0.00 O ATOM 1340 ND2 ASN A 98 4.935 33.142 -17.136 1.00 0.00 N ATOM 0 H ASN A 98 2.817 33.938 -16.357 1.00 0.00 H new ATOM 0 HA ASN A 98 1.021 31.743 -16.875 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.712 30.979 -18.334 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.691 32.724 -18.490 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.925 33.221 -16.902 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.338 33.969 -17.113 1.00 0.00 H new ATOM 1347 N PHE A 99 2.464 29.724 -15.820 1.00 0.00 N ATOM 1348 CA PHE A 99 2.835 28.616 -14.951 1.00 0.00 C ATOM 1349 C PHE A 99 4.048 27.883 -15.530 1.00 0.00 C ATOM 1350 O PHE A 99 4.325 27.978 -16.726 1.00 0.00 O ATOM 1351 CB PHE A 99 1.677 27.601 -14.935 1.00 0.00 C ATOM 1352 CG PHE A 99 0.573 27.862 -13.941 1.00 0.00 C ATOM 1353 CD1 PHE A 99 0.748 27.421 -12.621 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.617 28.512 -14.313 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -0.244 27.648 -11.660 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.616 28.742 -13.347 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.420 28.320 -12.018 1.00 0.00 C ATOM 0 H PHE A 99 2.211 29.416 -16.759 1.00 0.00 H new ATOM 0 HA PHE A 99 3.056 29.005 -13.957 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.238 27.567 -15.932 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.091 26.613 -14.735 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.654 26.903 -12.344 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.764 28.833 -15.334 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.103 27.306 -10.645 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.532 29.242 -13.626 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.178 28.515 -11.273 1.00 0.00 H new ATOM 1367 N VAL A 100 4.762 27.146 -14.668 1.00 0.00 N ATOM 1368 CA VAL A 100 5.918 26.326 -15.018 1.00 0.00 C ATOM 1369 C VAL A 100 5.757 24.983 -14.318 1.00 0.00 C ATOM 1370 O VAL A 100 4.985 24.863 -13.370 1.00 0.00 O ATOM 1371 CB VAL A 100 7.269 26.972 -14.674 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.539 28.147 -15.613 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.377 27.369 -13.201 1.00 0.00 C ATOM 0 H VAL A 100 4.538 27.107 -13.674 1.00 0.00 H new ATOM 0 HA VAL A 100 5.939 26.208 -16.101 1.00 0.00 H new ATOM 0 HB VAL A 100 8.047 26.224 -14.828 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.498 28.600 -15.363 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.563 27.791 -16.643 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.748 28.889 -15.504 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.352 27.820 -13.016 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.593 28.087 -12.959 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.263 26.483 -12.576 1.00 0.00 H new ATOM 1383 N GLY A 101 6.500 23.981 -14.785 1.00 0.00 N ATOM 1384 CA GLY A 101 6.442 22.632 -14.247 1.00 0.00 C ATOM 1385 C GLY A 101 7.233 22.458 -12.951 1.00 0.00 C ATOM 1386 O GLY A 101 8.250 23.117 -12.738 1.00 0.00 O ATOM 0 H GLY A 101 7.163 24.088 -15.553 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.401 22.366 -14.066 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.824 21.935 -14.993 1.00 0.00 H new ATOM 1390 N CYS A 102 6.736 21.564 -12.086 1.00 0.00 N ATOM 1391 CA CYS A 102 7.337 21.204 -10.809 1.00 0.00 C ATOM 1392 C CYS A 102 8.373 20.100 -11.068 1.00 0.00 C ATOM 1393 O CYS A 102 8.648 19.757 -12.218 1.00 0.00 O ATOM 1394 CB CYS A 102 6.231 20.724 -9.858 1.00 0.00 C ATOM 1395 SG CYS A 102 5.223 22.019 -9.084 1.00 0.00 S ATOM 0 H CYS A 102 5.871 21.056 -12.270 1.00 0.00 H new ATOM 0 HA CYS A 102 7.835 22.056 -10.346 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.568 20.059 -10.411 1.00 0.00 H new ATOM 0 HB3 CYS A 102 6.692 20.131 -9.068 1.00 0.00 H new ATOM 1400 N SER A 103 8.949 19.543 -9.996 1.00 0.00 N ATOM 1401 CA SER A 103 9.953 18.490 -10.059 1.00 0.00 C ATOM 1402 C SER A 103 9.442 17.259 -10.818 1.00 0.00 C ATOM 1403 O SER A 103 8.559 16.550 -10.337 1.00 0.00 O ATOM 1404 CB SER A 103 10.372 18.114 -8.635 1.00 0.00 C ATOM 1405 OG SER A 103 11.362 17.110 -8.658 1.00 0.00 O ATOM 0 H SER A 103 8.720 19.823 -9.042 1.00 0.00 H new ATOM 0 HA SER A 103 10.816 18.864 -10.610 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.752 18.995 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.505 17.764 -8.075 1.00 0.00 H new ATOM 0 HG SER A 103 11.619 16.883 -7.740 1.00 0.00 H new ATOM 1411 N GLY A 104 10.002 17.025 -12.013 1.00 0.00 N ATOM 1412 CA GLY A 104 9.680 15.901 -12.878 1.00 0.00 C ATOM 1413 C GLY A 104 8.279 15.958 -13.490 1.00 0.00 C ATOM 1414 O GLY A 104 7.665 14.909 -13.685 1.00 0.00 O ATOM 0 H GLY A 104 10.714 17.638 -12.410 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.414 15.855 -13.683 1.00 0.00 H new ATOM 0 HA3 GLY A 104 9.777 14.978 -12.306 1.00 0.00 H new ATOM 1418 N THR A 105 7.776 17.159 -13.803 1.00 0.00 N ATOM 1419 CA THR A 105 6.459 17.332 -14.409 1.00 0.00 C ATOM 1420 C THR A 105 6.572 17.134 -15.920 1.00 0.00 C ATOM 1421 O THR A 105 7.441 17.726 -16.559 1.00 0.00 O ATOM 1422 CB THR A 105 5.896 18.719 -14.072 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.745 18.818 -12.673 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.528 18.950 -14.726 1.00 0.00 C ATOM 0 H THR A 105 8.274 18.035 -13.642 1.00 0.00 H new ATOM 0 HA THR A 105 5.769 16.589 -14.008 1.00 0.00 H new ATOM 0 HB THR A 105 6.590 19.469 -14.452 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.943 19.342 -12.467 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.162 19.943 -14.464 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.625 18.873 -15.809 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.823 18.198 -14.371 1.00 0.00 H new ATOM 1432 N ASN A 106 5.682 16.303 -16.478 1.00 0.00 N ATOM 1433 CA ASN A 106 5.625 15.999 -17.901 1.00 0.00 C ATOM 1434 C ASN A 106 4.515 16.830 -18.541 1.00 0.00 C ATOM 1435 O ASN A 106 3.339 16.436 -18.379 1.00 0.00 O ATOM 1436 CB ASN A 106 5.404 14.493 -18.102 1.00 0.00 C ATOM 1437 CG ASN A 106 6.547 13.646 -17.539 1.00 0.00 C ATOM 1438 OD1 ASN A 106 7.636 14.148 -17.269 1.00 0.00 O ATOM 1439 ND2 ASN A 106 6.292 12.348 -17.360 1.00 0.00 N ATOM 1440 OXT ASN A 106 4.843 17.956 -18.975 1.00 0.00 O ATOM 0 H ASN A 106 4.969 15.816 -15.935 1.00 0.00 H new ATOM 0 HA ASN A 106 6.567 16.257 -18.385 1.00 0.00 H new ATOM 0 HB2 ASN A 106 4.470 14.200 -17.622 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.294 14.285 -19.166 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.015 11.733 -16.986 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.374 11.971 -17.597 1.00 0.00 H new TER 1447 ASN A 106