USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 679 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 92 HIS : no HD1:sc= -4.78! C(o=-6.7!,f=-9.1!) USER MOD Set 1.2: A 98 ASN :FLIP amide:sc= -1.9! C(o=-12!,f=-6.7!) USER MOD Set 2.1: A 91 THR OG1 : rot -147:sc= 0.979 USER MOD Set 2.2: A 93 THR OG1 : rot 180:sc= 0.481 USER MOD Set 3.1: A 81 ASN : amide:sc= -20.1! C(o=-28!,f=-30!) USER MOD Set 3.2: A 83 ASN :FLIP amide:sc= -7.32! C(o=-39!,f=-28!) USER MOD Set 3.3: A 85 GLN : amide:sc= -0.447! K(o=-28!,f=-31) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -10.5! C(o=-14!,f=-18!) USER MOD Set 4.2: A 57 TYR OH : rot -70:sc= -3.01! USER MOD Set 5.1: A 9 ASN : amide:sc= -16.3! C(o=-24!,f=-28!) USER MOD Set 5.2: A 11 TYR OH : rot 44:sc= -7.94! USER MOD Set 6.1: A 6 CYS SG : rot -35:sc= -25.2! USER MOD Set 6.2: A 103 CYS SG : rot -167:sc= -37.2! USER MOD Set 7.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 2 CYS SG : rot 180:sc=-0.00305 USER MOD Set 7.3: A 10 CYS SG : rot 180:sc= -9.51! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -85:sc= -0.927! USER MOD Single : A 8 SER OG : rot 72:sc= 0.908 USER MOD Single : A 12 SER OG : rot 46:sc= 1.19 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= -20.5! C(o=-20!,f=-26!) USER MOD Single : A 24 TYR OH : rot -82:sc= -4.81! 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 36 ASN : amide:sc= -3.06! C(o=-3.1!,f=-4.5!) USER MOD Single : A 37 SER OG : rot 64:sc= 1.11 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : +bothHN:sc= -5.75! C(o=-5.8!,f=-10!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 56:sc= -4.24! USER MOD Single : A 43 ASN :FLIP amide:sc= -0.022 F(o=-1.2,f=-0.022) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.0459 F(o=-0.74,f=-0.046) 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 USER MOD Single : A 56 TYR OH : rot -30:sc= 0.495 USER MOD Single : A 63 SER OG : rot -42:sc= 0.662 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -110:sc= 0.454 USER MOD Single : A 69 SER OG : rot 61:sc= 1.1 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -7.46! C(o=-15!,f=-7.5!) USER MOD Single : A 96 SER OG : rot -58:sc= 1.15 USER MOD Single : A 99 ASN :FLIP amide:sc= -17.3! C(o=-24!,f=-17!) USER MOD Single : A 104 THR OG1 : rot -0:sc= 0.576 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.654 -17.235 -5.972 1.00 0.00 N ATOM 2 CA ALA A 1 -6.920 -15.846 -6.303 1.00 0.00 C ATOM 3 C ALA A 1 -5.925 -14.949 -5.563 1.00 0.00 C ATOM 4 O ALA A 1 -6.251 -14.380 -4.523 1.00 0.00 O ATOM 5 CB ALA A 1 -8.373 -15.509 -5.962 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.329 -17.847 -6.474 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.685 -17.481 -6.258 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.757 -17.373 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.787 -15.675 -7.371 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.573 -14.467 -6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.040 -16.153 -6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.543 -15.667 -4.897 1.00 0.00 H new ATOM 11 N CYS A 2 -4.731 -14.852 -6.130 1.00 0.00 N ATOM 12 CA CYS A 2 -3.687 -14.034 -5.538 1.00 0.00 C ATOM 13 C CYS A 2 -3.470 -12.810 -6.430 1.00 0.00 C ATOM 14 O CYS A 2 -2.372 -12.601 -6.945 1.00 0.00 O ATOM 15 CB CYS A 2 -2.395 -14.829 -5.333 1.00 0.00 C ATOM 16 SG CYS A 2 -2.511 -16.605 -5.756 1.00 0.00 S ATOM 0 H CYS A 2 -4.464 -15.326 -6.993 1.00 0.00 H new ATOM 0 HA CYS A 2 -3.996 -13.707 -4.545 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.607 -14.377 -5.936 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.090 -14.737 -4.290 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.363 -17.177 -5.546 1.00 0.00 H new ATOM 21 N ASP A 3 -4.532 -12.036 -6.586 1.00 0.00 N ATOM 22 CA ASP A 3 -4.472 -10.839 -7.407 1.00 0.00 C ATOM 23 C ASP A 3 -3.130 -10.138 -7.182 1.00 0.00 C ATOM 24 O ASP A 3 -2.614 -9.475 -8.080 1.00 0.00 O ATOM 25 CB ASP A 3 -5.585 -9.858 -7.034 1.00 0.00 C ATOM 26 CG ASP A 3 -7.004 -10.420 -7.139 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.439 -11.049 -6.150 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.621 -10.210 -8.204 1.00 0.00 O ATOM 0 H ASP A 3 -5.440 -12.214 -6.158 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.590 -11.139 -8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.420 -9.516 -6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.508 -8.983 -7.679 1.00 0.00 H new ATOM 33 N TYR A 4 -2.605 -10.309 -5.978 1.00 0.00 N ATOM 34 CA TYR A 4 -1.333 -9.702 -5.623 1.00 0.00 C ATOM 35 C TYR A 4 -0.480 -10.661 -4.791 1.00 0.00 C ATOM 36 O TYR A 4 -0.823 -10.974 -3.652 1.00 0.00 O ATOM 37 CB TYR A 4 -1.674 -8.474 -4.774 1.00 0.00 C ATOM 38 CG TYR A 4 -2.624 -7.490 -5.458 1.00 0.00 C ATOM 39 CD1 TYR A 4 -2.142 -6.609 -6.404 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.964 -7.481 -5.127 1.00 0.00 C ATOM 41 CE1 TYR A 4 -3.036 -5.682 -7.047 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.858 -6.554 -5.771 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.351 -5.699 -6.699 1.00 0.00 C ATOM 44 OH TYR A 4 -5.195 -4.824 -7.306 1.00 0.00 O ATOM 0 H TYR A 4 -3.037 -10.859 -5.236 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.766 -9.447 -6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.123 -8.806 -3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.751 -7.954 -4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.093 -6.615 -6.662 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.342 -8.169 -4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.671 -4.988 -7.790 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.909 -6.538 -5.522 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.103 -4.951 -6.959 1.00 0.00 H new ATOM 54 N THR A 5 0.616 -11.100 -5.392 1.00 0.00 N ATOM 55 CA THR A 5 1.521 -12.018 -4.722 1.00 0.00 C ATOM 56 C THR A 5 2.923 -11.412 -4.629 1.00 0.00 C ATOM 57 O THR A 5 3.639 -11.341 -5.626 1.00 0.00 O ATOM 58 CB THR A 5 1.483 -13.352 -5.472 1.00 0.00 C ATOM 59 OG1 THR A 5 0.293 -13.979 -5.004 1.00 0.00 O ATOM 60 CG2 THR A 5 2.601 -14.300 -5.034 1.00 0.00 C ATOM 0 H THR A 5 0.898 -10.837 -6.336 1.00 0.00 H new ATOM 0 HA THR A 5 1.211 -12.199 -3.693 1.00 0.00 H new ATOM 0 HB THR A 5 1.561 -13.169 -6.544 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.480 -14.450 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.529 -15.231 -5.596 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.568 -13.835 -5.225 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.503 -14.510 -3.969 1.00 0.00 H new ATOM 68 N CYS A 6 3.272 -10.992 -3.421 1.00 0.00 N ATOM 69 CA CYS A 6 4.575 -10.394 -3.185 1.00 0.00 C ATOM 70 C CYS A 6 5.602 -11.520 -3.050 1.00 0.00 C ATOM 71 O CYS A 6 6.146 -11.741 -1.969 1.00 0.00 O ATOM 72 CB CYS A 6 4.564 -9.481 -1.958 1.00 0.00 C ATOM 73 SG CYS A 6 3.863 -7.815 -2.247 1.00 0.00 S ATOM 0 H CYS A 6 2.675 -11.054 -2.596 1.00 0.00 H new ATOM 0 HA CYS A 6 4.844 -9.757 -4.027 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.994 -9.967 -1.166 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.586 -9.372 -1.595 1.00 0.00 H new ATOM 0 HG CYS A 6 4.167 -7.418 -3.447 1.00 0.00 H new ATOM 78 N GLY A 7 5.836 -12.201 -4.162 1.00 0.00 N ATOM 79 CA GLY A 7 6.788 -13.298 -4.181 1.00 0.00 C ATOM 80 C GLY A 7 6.120 -14.612 -3.768 1.00 0.00 C ATOM 81 O GLY A 7 6.270 -15.628 -4.444 1.00 0.00 O ATOM 0 H GLY A 7 5.383 -12.014 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.211 -13.400 -5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.615 -13.078 -3.506 1.00 0.00 H new ATOM 85 N SER A 8 5.396 -14.547 -2.661 1.00 0.00 N ATOM 86 CA SER A 8 4.705 -15.718 -2.149 1.00 0.00 C ATOM 87 C SER A 8 3.560 -15.289 -1.229 1.00 0.00 C ATOM 88 O SER A 8 3.437 -15.790 -0.111 1.00 0.00 O ATOM 89 CB SER A 8 5.667 -16.645 -1.403 1.00 0.00 C ATOM 90 OG SER A 8 5.692 -16.374 -0.004 1.00 0.00 O ATOM 0 H SER A 8 5.273 -13.701 -2.104 1.00 0.00 H new ATOM 0 HA SER A 8 4.296 -16.270 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.372 -17.681 -1.566 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.671 -16.531 -1.812 1.00 0.00 H new ATOM 0 HG SER A 8 4.855 -16.680 0.403 1.00 0.00 H new ATOM 96 N ASN A 9 2.752 -14.369 -1.732 1.00 0.00 N ATOM 97 CA ASN A 9 1.622 -13.867 -0.968 1.00 0.00 C ATOM 98 C ASN A 9 0.335 -14.090 -1.766 1.00 0.00 C ATOM 99 O ASN A 9 0.328 -14.832 -2.747 1.00 0.00 O ATOM 100 CB ASN A 9 1.759 -12.368 -0.702 1.00 0.00 C ATOM 101 CG ASN A 9 3.129 -12.039 -0.108 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.255 -11.585 1.018 1.00 0.00 O ATOM 103 ND2 ASN A 9 4.148 -12.294 -0.923 1.00 0.00 N ATOM 0 H ASN A 9 2.857 -13.957 -2.659 1.00 0.00 H new ATOM 0 HA ASN A 9 1.593 -14.400 -0.018 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.620 -11.816 -1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.975 -12.043 -0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.104 -12.110 -0.618 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.974 -12.674 -1.854 1.00 0.00 H new ATOM 110 N CYS A 10 -0.724 -13.434 -1.313 1.00 0.00 N ATOM 111 CA CYS A 10 -2.014 -13.551 -1.973 1.00 0.00 C ATOM 112 C CYS A 10 -2.966 -12.527 -1.351 1.00 0.00 C ATOM 113 O CYS A 10 -3.820 -12.881 -0.539 1.00 0.00 O ATOM 114 CB CYS A 10 -2.569 -14.974 -1.882 1.00 0.00 C ATOM 115 SG CYS A 10 -4.097 -15.265 -2.845 1.00 0.00 S ATOM 0 H CYS A 10 -0.715 -12.821 -0.498 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.901 -13.342 -3.037 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.803 -15.670 -2.224 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.766 -15.206 -0.835 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.475 -16.500 -2.696 1.00 0.00 H new ATOM 120 N TYR A 11 -2.786 -11.277 -1.755 1.00 0.00 N ATOM 121 CA TYR A 11 -3.617 -10.200 -1.247 1.00 0.00 C ATOM 122 C TYR A 11 -4.844 -9.987 -2.138 1.00 0.00 C ATOM 123 O TYR A 11 -5.118 -8.867 -2.564 1.00 0.00 O ATOM 124 CB TYR A 11 -2.748 -8.942 -1.287 1.00 0.00 C ATOM 125 CG TYR A 11 -1.311 -9.164 -0.813 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.047 -9.348 0.528 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.278 -9.178 -1.728 1.00 0.00 C ATOM 128 CE1 TYR A 11 0.307 -9.556 0.974 1.00 0.00 C ATOM 129 CE2 TYR A 11 1.076 -9.388 -1.283 1.00 0.00 C ATOM 130 CZ TYR A 11 1.301 -9.567 0.045 1.00 0.00 C ATOM 131 OH TYR A 11 2.579 -9.763 0.467 1.00 0.00 O ATOM 0 H TYR A 11 -2.077 -10.987 -2.428 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.973 -10.431 -0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.728 -8.559 -2.307 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.210 -8.174 -0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.855 -9.336 1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.485 -9.031 -2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.528 -9.700 2.021 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.893 -9.403 -1.989 1.00 0.00 H new ATOM 0 HH TYR A 11 2.597 -10.484 1.130 1.00 0.00 H new ATOM 141 N SER A 12 -5.546 -11.081 -2.393 1.00 0.00 N ATOM 142 CA SER A 12 -6.736 -11.028 -3.226 1.00 0.00 C ATOM 143 C SER A 12 -7.388 -9.648 -3.120 1.00 0.00 C ATOM 144 O SER A 12 -7.250 -8.969 -2.105 1.00 0.00 O ATOM 145 CB SER A 12 -7.735 -12.119 -2.830 1.00 0.00 C ATOM 146 OG SER A 12 -8.160 -12.886 -3.952 1.00 0.00 O ATOM 0 H SER A 12 -5.314 -12.009 -2.038 1.00 0.00 H new ATOM 0 HA SER A 12 -6.438 -11.204 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.278 -12.778 -2.092 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.602 -11.661 -2.354 1.00 0.00 H new ATOM 0 HG SER A 12 -7.382 -13.127 -4.497 1.00 0.00 H new ATOM 152 N SER A 13 -8.084 -9.275 -4.185 1.00 0.00 N ATOM 153 CA SER A 13 -8.758 -7.988 -4.225 1.00 0.00 C ATOM 154 C SER A 13 -9.370 -7.676 -2.858 1.00 0.00 C ATOM 155 O SER A 13 -9.598 -6.513 -2.528 1.00 0.00 O ATOM 156 CB SER A 13 -9.837 -7.965 -5.308 1.00 0.00 C ATOM 157 OG SER A 13 -10.701 -9.094 -5.225 1.00 0.00 O ATOM 0 H SER A 13 -8.195 -9.841 -5.026 1.00 0.00 H new ATOM 0 HA SER A 13 -8.021 -7.223 -4.469 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.424 -7.052 -5.215 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.364 -7.942 -6.290 1.00 0.00 H new ATOM 0 HG SER A 13 -11.377 -9.041 -5.932 1.00 0.00 H new ATOM 163 N SER A 14 -9.621 -8.734 -2.101 1.00 0.00 N ATOM 164 CA SER A 14 -10.204 -8.587 -0.778 1.00 0.00 C ATOM 165 C SER A 14 -9.119 -8.201 0.231 1.00 0.00 C ATOM 166 O SER A 14 -9.409 -7.572 1.247 1.00 0.00 O ATOM 167 CB SER A 14 -10.903 -9.875 -0.338 1.00 0.00 C ATOM 168 OG SER A 14 -11.574 -9.719 0.909 1.00 0.00 O ATOM 0 H SER A 14 -9.431 -9.697 -2.379 1.00 0.00 H new ATOM 0 HA SER A 14 -10.952 -7.795 -0.819 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.621 -10.177 -1.101 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.169 -10.676 -0.257 1.00 0.00 H new ATOM 0 HG SER A 14 -12.009 -10.562 1.154 1.00 0.00 H new ATOM 174 N ASP A 15 -7.894 -8.593 -0.086 1.00 0.00 N ATOM 175 CA ASP A 15 -6.766 -8.295 0.779 1.00 0.00 C ATOM 176 C ASP A 15 -6.287 -6.868 0.513 1.00 0.00 C ATOM 177 O ASP A 15 -5.642 -6.256 1.364 1.00 0.00 O ATOM 178 CB ASP A 15 -5.598 -9.245 0.508 1.00 0.00 C ATOM 179 CG ASP A 15 -5.503 -10.442 1.456 1.00 0.00 C ATOM 180 OD1 ASP A 15 -4.844 -10.284 2.506 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.091 -11.489 1.108 1.00 0.00 O ATOM 0 H ASP A 15 -7.658 -9.115 -0.930 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.094 -8.412 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.681 -9.616 -0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.668 -8.679 0.567 1.00 0.00 H new ATOM 186 N VAL A 16 -6.620 -6.376 -0.672 1.00 0.00 N ATOM 187 CA VAL A 16 -6.231 -5.032 -1.061 1.00 0.00 C ATOM 188 C VAL A 16 -7.098 -4.018 -0.310 1.00 0.00 C ATOM 189 O VAL A 16 -6.617 -3.332 0.591 1.00 0.00 O ATOM 190 CB VAL A 16 -6.318 -4.882 -2.581 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.375 -3.406 -2.984 1.00 0.00 C ATOM 192 CG2 VAL A 16 -5.151 -5.593 -3.269 1.00 0.00 C ATOM 0 H VAL A 16 -7.155 -6.885 -1.375 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.194 -4.840 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.242 -5.356 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.436 -3.327 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.253 -2.940 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.476 -2.898 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.236 -5.471 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.210 -5.161 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.174 -6.654 -3.021 1.00 0.00 H new ATOM 202 N SER A 17 -8.359 -3.954 -0.710 1.00 0.00 N ATOM 203 CA SER A 17 -9.297 -3.036 -0.086 1.00 0.00 C ATOM 204 C SER A 17 -9.081 -3.015 1.428 1.00 0.00 C ATOM 205 O SER A 17 -8.895 -1.952 2.018 1.00 0.00 O ATOM 206 CB SER A 17 -10.742 -3.420 -0.411 1.00 0.00 C ATOM 207 OG SER A 17 -11.671 -2.443 0.054 1.00 0.00 O ATOM 0 H SER A 17 -8.754 -4.523 -1.459 1.00 0.00 H new ATOM 0 HA SER A 17 -9.116 -2.038 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.852 -3.541 -1.489 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.972 -4.384 0.043 1.00 0.00 H new ATOM 0 HG SER A 17 -12.582 -2.723 -0.174 1.00 0.00 H new ATOM 213 N THR A 18 -9.112 -4.204 2.014 1.00 0.00 N ATOM 214 CA THR A 18 -8.922 -4.335 3.448 1.00 0.00 C ATOM 215 C THR A 18 -7.717 -3.510 3.905 1.00 0.00 C ATOM 216 O THR A 18 -7.810 -2.745 4.863 1.00 0.00 O ATOM 217 CB THR A 18 -8.797 -5.825 3.773 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.136 -6.236 4.037 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.064 -6.077 5.093 1.00 0.00 C ATOM 0 H THR A 18 -9.266 -5.084 1.522 1.00 0.00 H new ATOM 0 HA THR A 18 -9.775 -3.937 3.998 1.00 0.00 H new ATOM 0 HB THR A 18 -8.271 -6.330 2.963 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.148 -7.191 4.255 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.003 -7.150 5.276 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.058 -5.661 5.036 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.608 -5.600 5.908 1.00 0.00 H new ATOM 227 N ALA A 19 -6.612 -3.694 3.196 1.00 0.00 N ATOM 228 CA ALA A 19 -5.389 -2.977 3.517 1.00 0.00 C ATOM 229 C ALA A 19 -5.632 -1.473 3.367 1.00 0.00 C ATOM 230 O ALA A 19 -5.224 -0.687 4.221 1.00 0.00 O ATOM 231 CB ALA A 19 -4.255 -3.476 2.620 1.00 0.00 C ATOM 0 H ALA A 19 -6.538 -4.329 2.401 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.094 -3.163 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.338 -2.939 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.104 -4.543 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.514 -3.303 1.576 1.00 0.00 H new ATOM 237 N GLN A 20 -6.295 -1.119 2.276 1.00 0.00 N ATOM 238 CA GLN A 20 -6.597 0.277 2.004 1.00 0.00 C ATOM 239 C GLN A 20 -7.490 0.851 3.106 1.00 0.00 C ATOM 240 O GLN A 20 -7.131 1.836 3.750 1.00 0.00 O ATOM 241 CB GLN A 20 -7.249 0.439 0.629 1.00 0.00 C ATOM 242 CG GLN A 20 -6.584 -0.472 -0.404 1.00 0.00 C ATOM 243 CD GLN A 20 -7.407 -0.535 -1.691 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.866 -1.582 -2.116 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.569 0.644 -2.288 1.00 0.00 N ATOM 0 H GLN A 20 -6.632 -1.774 1.570 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.661 0.836 1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.311 0.204 0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.172 1.477 0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.582 -0.105 -0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.471 -1.474 0.009 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.158 1.483 -1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.104 0.708 -3.154 1.00 0.00 H new ATOM 254 N ALA A 21 -8.636 0.212 3.287 1.00 0.00 N ATOM 255 CA ALA A 21 -9.583 0.648 4.300 1.00 0.00 C ATOM 256 C ALA A 21 -8.819 1.250 5.482 1.00 0.00 C ATOM 257 O ALA A 21 -9.230 2.266 6.038 1.00 0.00 O ATOM 258 CB ALA A 21 -10.464 -0.532 4.716 1.00 0.00 C ATOM 0 H ALA A 21 -8.931 -0.604 2.750 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.240 1.422 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.174 -0.206 5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.007 -0.905 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.839 -1.328 5.122 1.00 0.00 H new ATOM 264 N ALA A 22 -7.720 0.595 5.830 1.00 0.00 N ATOM 265 CA ALA A 22 -6.895 1.053 6.934 1.00 0.00 C ATOM 266 C ALA A 22 -6.160 2.331 6.522 1.00 0.00 C ATOM 267 O ALA A 22 -6.284 3.363 7.179 1.00 0.00 O ATOM 268 CB ALA A 22 -5.935 -0.063 7.352 1.00 0.00 C ATOM 0 H ALA A 22 -7.383 -0.249 5.367 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.512 1.293 7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.316 0.281 8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.507 -0.937 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.297 -0.329 6.509 1.00 0.00 H new ATOM 274 N GLY A 23 -5.411 2.218 5.434 1.00 0.00 N ATOM 275 CA GLY A 23 -4.656 3.351 4.926 1.00 0.00 C ATOM 276 C GLY A 23 -5.562 4.567 4.723 1.00 0.00 C ATOM 277 O GLY A 23 -5.189 5.687 5.067 1.00 0.00 O ATOM 0 H GLY A 23 -5.311 1.360 4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.856 3.601 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.183 3.083 3.981 1.00 0.00 H new ATOM 281 N TYR A 24 -6.734 4.306 4.165 1.00 0.00 N ATOM 282 CA TYR A 24 -7.696 5.365 3.912 1.00 0.00 C ATOM 283 C TYR A 24 -8.230 5.945 5.223 1.00 0.00 C ATOM 284 O TYR A 24 -7.933 7.087 5.567 1.00 0.00 O ATOM 285 CB TYR A 24 -8.851 4.712 3.149 1.00 0.00 C ATOM 286 CG TYR A 24 -9.536 5.640 2.144 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.853 6.066 1.022 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.835 6.051 2.357 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.497 6.939 0.075 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.479 6.925 1.411 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.778 7.326 0.316 1.00 0.00 C ATOM 292 OH TYR A 24 -11.387 8.150 -0.578 1.00 0.00 O ATOM 0 H TYR A 24 -7.040 3.375 3.880 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.233 6.179 3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.475 3.836 2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.592 4.358 3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.836 5.744 0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.370 5.717 3.234 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.974 7.279 -0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.496 7.255 1.567 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.118 9.076 -0.405 1.00 0.00 H new ATOM 302 N LYS A 25 -9.009 5.131 5.919 1.00 0.00 N ATOM 303 CA LYS A 25 -9.588 5.549 7.186 1.00 0.00 C ATOM 304 C LYS A 25 -8.528 6.287 8.005 1.00 0.00 C ATOM 305 O LYS A 25 -8.750 7.418 8.439 1.00 0.00 O ATOM 306 CB LYS A 25 -10.205 4.353 7.914 1.00 0.00 C ATOM 307 CG LYS A 25 -10.229 4.584 9.425 1.00 0.00 C ATOM 308 CD LYS A 25 -8.906 4.159 10.066 1.00 0.00 C ATOM 309 CE LYS A 25 -9.149 3.261 11.281 1.00 0.00 C ATOM 310 NZ LYS A 25 -7.896 2.583 11.683 1.00 0.00 N ATOM 0 H LYS A 25 -9.253 4.184 5.630 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.408 6.248 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.219 4.186 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.634 3.452 7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.416 5.638 9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.050 4.021 9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.297 3.629 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.344 5.043 10.369 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.529 3.857 12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.912 2.519 11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.078 1.978 12.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.549 1.999 10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.179 3.295 11.928 1.00 0.00 H new ATOM 324 N LEU A 26 -7.399 5.619 8.194 1.00 0.00 N ATOM 325 CA LEU A 26 -6.305 6.199 8.954 1.00 0.00 C ATOM 326 C LEU A 26 -5.824 7.473 8.257 1.00 0.00 C ATOM 327 O LEU A 26 -5.397 8.421 8.914 1.00 0.00 O ATOM 328 CB LEU A 26 -5.200 5.164 9.176 1.00 0.00 C ATOM 329 CG LEU A 26 -3.911 5.685 9.815 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.175 6.223 11.223 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.822 4.611 9.807 1.00 0.00 C ATOM 0 H LEU A 26 -7.219 4.682 7.834 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.643 6.489 9.949 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.597 4.367 9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.950 4.717 8.214 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.546 6.519 9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.242 6.587 11.654 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.894 7.040 11.171 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.577 5.425 11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.917 5.007 10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.164 3.742 10.369 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.608 4.317 8.779 1.00 0.00 H new ATOM 343 N HIS A 27 -5.908 7.453 6.935 1.00 0.00 N ATOM 344 CA HIS A 27 -5.485 8.595 6.142 1.00 0.00 C ATOM 345 C HIS A 27 -6.449 9.761 6.368 1.00 0.00 C ATOM 346 O HIS A 27 -6.020 10.877 6.662 1.00 0.00 O ATOM 347 CB HIS A 27 -5.353 8.213 4.666 1.00 0.00 C ATOM 348 CG HIS A 27 -5.198 9.393 3.737 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.166 10.309 3.856 1.00 0.00 N ATOM 350 CD2 HIS A 27 -5.950 9.796 2.675 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.303 11.218 2.902 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.410 10.899 2.171 1.00 0.00 N ATOM 0 H HIS A 27 -6.262 6.665 6.393 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.495 8.919 6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.492 7.555 4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.233 7.643 4.369 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.836 9.301 2.305 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.652 12.063 2.733 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.764 11.422 1.370 1.00 0.00 H new ATOM 361 N GLU A 28 -7.731 9.464 6.223 1.00 0.00 N ATOM 362 CA GLU A 28 -8.759 10.475 6.408 1.00 0.00 C ATOM 363 C GLU A 28 -8.646 11.098 7.801 1.00 0.00 C ATOM 364 O GLU A 28 -9.065 12.235 8.012 1.00 0.00 O ATOM 365 CB GLU A 28 -10.154 9.886 6.183 1.00 0.00 C ATOM 366 CG GLU A 28 -10.069 8.408 5.798 1.00 0.00 C ATOM 367 CD GLU A 28 -11.464 7.812 5.604 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.437 8.524 5.933 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.528 6.657 5.130 1.00 0.00 O ATOM 0 H GLU A 28 -8.082 8.538 5.980 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.607 11.259 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.750 9.996 7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.665 10.442 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.492 8.300 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.538 7.856 6.574 1.00 0.00 H new ATOM 376 N ASP A 29 -8.077 10.327 8.715 1.00 0.00 N ATOM 377 CA ASP A 29 -7.903 10.789 10.082 1.00 0.00 C ATOM 378 C ASP A 29 -6.602 11.589 10.184 1.00 0.00 C ATOM 379 O ASP A 29 -6.420 12.368 11.118 1.00 0.00 O ATOM 380 CB ASP A 29 -7.811 9.612 11.054 1.00 0.00 C ATOM 381 CG ASP A 29 -9.125 8.861 11.286 1.00 0.00 C ATOM 382 OD1 ASP A 29 -9.768 8.517 10.271 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.454 8.649 12.472 1.00 0.00 O ATOM 0 H ASP A 29 -7.730 9.385 8.536 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.764 11.405 10.342 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.069 8.908 10.679 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.446 9.980 12.013 1.00 0.00 H new ATOM 388 N GLY A 30 -5.731 11.367 9.209 1.00 0.00 N ATOM 389 CA GLY A 30 -4.453 12.057 9.178 1.00 0.00 C ATOM 390 C GLY A 30 -3.507 11.507 10.247 1.00 0.00 C ATOM 391 O GLY A 30 -2.584 12.198 10.680 1.00 0.00 O ATOM 0 H GLY A 30 -5.886 10.720 8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.999 11.945 8.193 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.608 13.124 9.338 1.00 0.00 H new ATOM 395 N GLU A 31 -3.767 10.271 10.643 1.00 0.00 N ATOM 396 CA GLU A 31 -2.951 9.621 11.654 1.00 0.00 C ATOM 397 C GLU A 31 -1.917 8.706 10.994 1.00 0.00 C ATOM 398 O GLU A 31 -1.920 8.538 9.775 1.00 0.00 O ATOM 399 CB GLU A 31 -3.819 8.841 12.643 1.00 0.00 C ATOM 400 CG GLU A 31 -4.421 9.773 13.697 1.00 0.00 C ATOM 401 CD GLU A 31 -3.355 10.240 14.690 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.425 9.444 14.940 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.494 11.384 15.175 1.00 0.00 O ATOM 0 H GLU A 31 -4.532 9.701 10.282 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.422 10.391 12.215 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.618 8.329 12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.220 8.073 13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.871 10.637 13.209 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.219 9.257 14.231 1.00 0.00 H new ATOM 410 N THR A 32 -1.057 8.139 11.827 1.00 0.00 N ATOM 411 CA THR A 32 -0.020 7.246 11.339 1.00 0.00 C ATOM 412 C THR A 32 -0.036 5.931 12.122 1.00 0.00 C ATOM 413 O THR A 32 -0.846 5.756 13.031 1.00 0.00 O ATOM 414 CB THR A 32 1.317 7.985 11.421 1.00 0.00 C ATOM 415 OG1 THR A 32 1.478 8.259 12.810 1.00 0.00 O ATOM 416 CG2 THR A 32 1.261 9.369 10.771 1.00 0.00 C ATOM 0 H THR A 32 -1.057 8.281 12.837 1.00 0.00 H new ATOM 0 HA THR A 32 -0.193 6.971 10.299 1.00 0.00 H new ATOM 0 HB THR A 32 2.092 7.389 10.939 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.322 8.736 12.954 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.235 9.851 10.857 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.998 9.266 9.718 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.510 9.977 11.275 1.00 0.00 H new ATOM 424 N VAL A 33 0.868 5.042 11.741 1.00 0.00 N ATOM 425 CA VAL A 33 0.968 3.748 12.395 1.00 0.00 C ATOM 426 C VAL A 33 2.441 3.421 12.648 1.00 0.00 C ATOM 427 O VAL A 33 3.263 3.496 11.735 1.00 0.00 O ATOM 428 CB VAL A 33 0.254 2.683 11.561 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.147 3.150 11.159 1.00 0.00 C ATOM 430 CG2 VAL A 33 1.081 2.305 10.331 1.00 0.00 C ATOM 0 H VAL A 33 1.539 5.192 10.987 1.00 0.00 H new ATOM 0 HA VAL A 33 0.469 3.771 13.364 1.00 0.00 H new ATOM 0 HB VAL A 33 0.145 1.791 12.178 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.633 2.375 10.567 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.736 3.345 12.055 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.071 4.063 10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.551 1.546 9.755 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.236 3.188 9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.046 1.911 10.649 1.00 0.00 H new ATOM 440 N GLY A 34 2.731 3.067 13.891 1.00 0.00 N ATOM 441 CA GLY A 34 4.091 2.729 14.275 1.00 0.00 C ATOM 442 C GLY A 34 4.935 3.990 14.470 1.00 0.00 C ATOM 443 O GLY A 34 4.430 5.016 14.920 1.00 0.00 O ATOM 0 H GLY A 34 2.047 3.007 14.646 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.079 2.149 15.198 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.543 2.099 13.509 1.00 0.00 H new ATOM 447 N SER A 35 6.208 3.870 14.121 1.00 0.00 N ATOM 448 CA SER A 35 7.127 4.987 14.251 1.00 0.00 C ATOM 449 C SER A 35 7.251 5.723 12.915 1.00 0.00 C ATOM 450 O SER A 35 7.757 6.843 12.863 1.00 0.00 O ATOM 451 CB SER A 35 8.503 4.517 14.726 1.00 0.00 C ATOM 452 OG SER A 35 8.995 3.432 13.945 1.00 0.00 O ATOM 0 H SER A 35 6.624 3.016 13.749 1.00 0.00 H new ATOM 0 HA SER A 35 6.728 5.671 15.000 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.207 5.348 14.677 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.442 4.213 15.771 1.00 0.00 H new ATOM 0 HG SER A 35 9.876 3.162 14.278 1.00 0.00 H new ATOM 458 N ASN A 36 6.779 5.063 11.867 1.00 0.00 N ATOM 459 CA ASN A 36 6.830 5.640 10.535 1.00 0.00 C ATOM 460 C ASN A 36 5.735 6.700 10.400 1.00 0.00 C ATOM 461 O ASN A 36 5.159 7.132 11.397 1.00 0.00 O ATOM 462 CB ASN A 36 6.591 4.574 9.463 1.00 0.00 C ATOM 463 CG ASN A 36 7.907 4.152 8.807 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.987 4.535 9.221 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.754 3.342 7.762 1.00 0.00 N ATOM 0 H ASN A 36 6.360 4.134 11.914 1.00 0.00 H new ATOM 0 HA ASN A 36 7.819 6.077 10.395 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.108 3.705 9.910 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.910 4.962 8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.572 3.003 7.255 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.819 3.060 7.468 1.00 0.00 H new ATOM 472 N SER A 37 5.479 7.086 9.159 1.00 0.00 N ATOM 473 CA SER A 37 4.463 8.087 8.881 1.00 0.00 C ATOM 474 C SER A 37 3.460 7.545 7.860 1.00 0.00 C ATOM 475 O SER A 37 3.062 8.254 6.938 1.00 0.00 O ATOM 476 CB SER A 37 5.093 9.383 8.368 1.00 0.00 C ATOM 477 OG SER A 37 5.273 9.367 6.954 1.00 0.00 O ATOM 0 H SER A 37 5.958 6.724 8.334 1.00 0.00 H new ATOM 0 HA SER A 37 3.941 8.311 9.811 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.461 10.227 8.643 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.057 9.535 8.854 1.00 0.00 H new ATOM 0 HG SER A 37 4.399 9.314 6.514 1.00 0.00 H new ATOM 483 N TYR A 38 3.079 6.291 8.062 1.00 0.00 N ATOM 484 CA TYR A 38 2.130 5.646 7.171 1.00 0.00 C ATOM 485 C TYR A 38 0.706 5.743 7.723 1.00 0.00 C ATOM 486 O TYR A 38 0.501 5.684 8.935 1.00 0.00 O ATOM 487 CB TYR A 38 2.542 4.174 7.112 1.00 0.00 C ATOM 488 CG TYR A 38 3.871 3.927 6.396 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.927 4.795 6.585 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.013 2.838 5.560 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.178 4.563 5.910 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.264 2.606 4.886 1.00 0.00 C ATOM 493 CZ TYR A 38 6.285 3.480 5.094 1.00 0.00 C ATOM 494 OH TYR A 38 7.466 3.261 4.457 1.00 0.00 O ATOM 0 H TYR A 38 3.410 5.706 8.829 1.00 0.00 H new ATOM 0 HA TYR A 38 2.138 6.123 6.191 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.611 3.786 8.128 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.759 3.608 6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.815 5.648 7.239 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.186 2.160 5.411 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.013 5.234 6.049 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.389 1.757 4.230 1.00 0.00 H new ATOM 0 HH TYR A 38 7.397 2.451 3.909 1.00 0.00 H new ATOM 504 N PRO A 39 -0.265 5.894 6.784 1.00 0.00 N ATOM 505 CA PRO A 39 0.063 5.955 5.370 1.00 0.00 C ATOM 506 C PRO A 39 0.674 7.309 5.007 1.00 0.00 C ATOM 507 O PRO A 39 0.937 8.132 5.884 1.00 0.00 O ATOM 508 CB PRO A 39 -1.247 5.681 4.650 1.00 0.00 C ATOM 509 CG PRO A 39 -2.345 5.938 5.669 1.00 0.00 C ATOM 510 CD PRO A 39 -1.698 6.011 7.043 1.00 0.00 C ATOM 0 HA PRO A 39 0.820 5.226 5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.359 6.331 3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.285 4.654 4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.866 6.868 5.442 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.088 5.141 5.639 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.935 6.950 7.543 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.050 5.208 7.690 1.00 0.00 H new ATOM 518 N HIS A 40 0.881 7.501 3.711 1.00 0.00 N ATOM 519 CA HIS A 40 1.456 8.742 3.222 1.00 0.00 C ATOM 520 C HIS A 40 1.599 8.675 1.700 1.00 0.00 C ATOM 521 O HIS A 40 1.702 7.591 1.130 1.00 0.00 O ATOM 522 CB HIS A 40 2.778 9.045 3.929 1.00 0.00 C ATOM 523 CG HIS A 40 3.897 8.096 3.574 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.690 8.259 2.451 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.347 6.974 4.204 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.573 7.272 2.417 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.359 6.476 3.504 1.00 0.00 N ATOM 0 H HIS A 40 0.661 6.818 2.986 1.00 0.00 H new ATOM 0 HA HIS A 40 0.789 9.573 3.454 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.085 10.061 3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.617 9.014 5.007 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.608 9.011 1.767 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.948 6.560 5.118 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.330 7.124 1.661 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.889 5.637 3.740 1.00 0.00 H new ATOM 536 N LYS A 41 1.601 9.849 1.086 1.00 0.00 N ATOM 537 CA LYS A 41 1.731 9.938 -0.359 1.00 0.00 C ATOM 538 C LYS A 41 2.766 8.919 -0.837 1.00 0.00 C ATOM 539 O LYS A 41 3.591 8.451 -0.053 1.00 0.00 O ATOM 540 CB LYS A 41 2.041 11.375 -0.782 1.00 0.00 C ATOM 541 CG LYS A 41 1.832 11.561 -2.287 1.00 0.00 C ATOM 542 CD LYS A 41 1.225 12.932 -2.590 1.00 0.00 C ATOM 543 CE LYS A 41 2.252 14.045 -2.380 1.00 0.00 C ATOM 544 NZ LYS A 41 2.036 15.140 -3.353 1.00 0.00 N ATOM 0 H LYS A 41 1.515 10.747 1.563 1.00 0.00 H new ATOM 0 HA LYS A 41 0.787 9.685 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.400 12.065 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.070 11.621 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.785 11.459 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.177 10.777 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.864 12.955 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.362 13.102 -1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.174 14.433 -1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.259 13.644 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.742 15.888 -3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.133 14.769 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.081 15.533 -3.227 1.00 0.00 H new ATOM 558 N TYR A 42 2.690 8.604 -2.122 1.00 0.00 N ATOM 559 CA TYR A 42 3.611 7.648 -2.714 1.00 0.00 C ATOM 560 C TYR A 42 3.761 7.891 -4.217 1.00 0.00 C ATOM 561 O TYR A 42 4.803 7.589 -4.798 1.00 0.00 O ATOM 562 CB TYR A 42 2.987 6.269 -2.493 1.00 0.00 C ATOM 563 CG TYR A 42 3.563 5.173 -3.393 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.322 5.200 -4.752 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.323 4.160 -2.846 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.865 4.169 -5.599 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.865 3.129 -3.693 1.00 0.00 C ATOM 568 CZ TYR A 42 4.609 3.184 -5.027 1.00 0.00 C ATOM 569 OH TYR A 42 5.121 2.212 -5.828 1.00 0.00 O ATOM 0 H TYR A 42 2.005 8.994 -2.770 1.00 0.00 H new ATOM 0 HA TYR A 42 4.599 7.737 -2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.128 5.981 -1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.912 6.337 -2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.727 5.993 -5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.512 4.140 -1.783 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.686 4.178 -6.664 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.461 2.330 -3.278 1.00 0.00 H new ATOM 0 HH TYR A 42 5.659 2.622 -6.537 1.00 0.00 H new ATOM 579 N ASN A 43 2.706 8.435 -4.805 1.00 0.00 N ATOM 580 CA ASN A 43 2.708 8.722 -6.230 1.00 0.00 C ATOM 581 C ASN A 43 3.181 7.484 -6.994 1.00 0.00 C ATOM 582 O ASN A 43 2.402 6.564 -7.238 1.00 0.00 O ATOM 583 CB ASN A 43 3.659 9.873 -6.558 1.00 0.00 C ATOM 584 CG ASN A 43 2.921 11.213 -6.551 1.00 0.00 C ATOM 585 OD1 ASN A 43 1.954 11.293 -5.641 1.00 0.00 O flip ATOM 586 ND2 ASN A 43 3.210 12.115 -7.321 1.00 0.00 N flip ATOM 0 H ASN A 43 1.844 8.685 -4.321 1.00 0.00 H new ATOM 0 HA ASN A 43 1.694 8.999 -6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.471 9.897 -5.831 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.112 9.708 -7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.964 11.988 -7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.697 12.996 -7.290 1.00 0.00 H new ATOM 593 N ASN A 44 4.457 7.501 -7.352 1.00 0.00 N ATOM 594 CA ASN A 44 5.044 6.391 -8.083 1.00 0.00 C ATOM 595 C ASN A 44 6.231 6.899 -8.903 1.00 0.00 C ATOM 596 O ASN A 44 6.476 8.102 -8.969 1.00 0.00 O ATOM 597 CB ASN A 44 4.033 5.772 -9.049 1.00 0.00 C ATOM 598 CG ASN A 44 3.890 6.621 -10.313 1.00 0.00 C ATOM 599 OD1 ASN A 44 4.666 6.227 -11.319 1.00 0.00 O flip ATOM 600 ND2 ASN A 44 3.127 7.572 -10.372 1.00 0.00 N flip ATOM 0 H ASN A 44 5.100 8.266 -7.149 1.00 0.00 H new ATOM 0 HA ASN A 44 5.359 5.639 -7.360 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.351 4.765 -9.318 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.065 5.680 -8.557 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.559 7.821 -9.562 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.058 8.118 -11.231 1.00 0.00 H new ATOM 607 N TYR A 45 6.938 5.955 -9.508 1.00 0.00 N ATOM 608 CA TYR A 45 8.095 6.291 -10.322 1.00 0.00 C ATOM 609 C TYR A 45 8.809 5.029 -10.807 1.00 0.00 C ATOM 610 O TYR A 45 9.143 4.914 -11.986 1.00 0.00 O ATOM 611 CB TYR A 45 9.038 7.078 -9.409 1.00 0.00 C ATOM 612 CG TYR A 45 8.939 8.597 -9.575 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.990 9.139 -10.416 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.801 9.423 -8.883 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.898 10.568 -10.571 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.709 10.852 -9.038 1.00 0.00 C ATOM 617 CZ TYR A 45 8.762 11.353 -9.875 1.00 0.00 C ATOM 618 OH TYR A 45 8.675 12.702 -10.022 1.00 0.00 O ATOM 0 H TYR A 45 6.732 4.958 -9.451 1.00 0.00 H new ATOM 0 HA TYR A 45 7.794 6.860 -11.202 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.822 6.821 -8.372 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.064 6.767 -9.608 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.316 8.492 -10.958 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.545 8.998 -8.225 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.159 11.006 -11.226 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.377 11.510 -8.502 1.00 0.00 H new ATOM 0 HH TYR A 45 9.354 13.136 -9.464 1.00 0.00 H new ATOM 628 N GLU A 46 9.023 4.113 -9.874 1.00 0.00 N ATOM 629 CA GLU A 46 9.692 2.863 -10.191 1.00 0.00 C ATOM 630 C GLU A 46 9.120 2.266 -11.478 1.00 0.00 C ATOM 631 O GLU A 46 9.747 1.412 -12.103 1.00 0.00 O ATOM 632 CB GLU A 46 9.584 1.872 -9.031 1.00 0.00 C ATOM 633 CG GLU A 46 10.339 2.381 -7.802 1.00 0.00 C ATOM 634 CD GLU A 46 9.434 3.242 -6.919 1.00 0.00 C ATOM 635 OE1 GLU A 46 9.181 4.398 -7.322 1.00 0.00 O ATOM 636 OE2 GLU A 46 9.014 2.724 -5.861 1.00 0.00 O ATOM 0 H GLU A 46 8.745 4.212 -8.898 1.00 0.00 H new ATOM 0 HA GLU A 46 10.750 3.071 -10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.535 1.715 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.987 0.906 -9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.716 1.535 -7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.205 2.963 -8.118 1.00 0.00 H new ATOM 643 N GLY A 47 7.935 2.738 -11.835 1.00 0.00 N ATOM 644 CA GLY A 47 7.270 2.262 -13.037 1.00 0.00 C ATOM 645 C GLY A 47 6.008 1.472 -12.688 1.00 0.00 C ATOM 646 O GLY A 47 5.859 0.321 -13.094 1.00 0.00 O ATOM 0 H GLY A 47 7.418 3.445 -11.313 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.010 3.108 -13.672 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.951 1.632 -13.609 1.00 0.00 H new ATOM 650 N PHE A 48 5.129 2.123 -11.938 1.00 0.00 N ATOM 651 CA PHE A 48 3.884 1.495 -11.530 1.00 0.00 C ATOM 652 C PHE A 48 2.724 1.948 -12.420 1.00 0.00 C ATOM 653 O PHE A 48 2.560 3.141 -12.671 1.00 0.00 O ATOM 654 CB PHE A 48 3.611 1.938 -10.091 1.00 0.00 C ATOM 655 CG PHE A 48 4.589 1.362 -9.065 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.424 0.092 -8.608 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.623 2.118 -8.612 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.332 -0.444 -7.656 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.531 1.583 -7.660 1.00 0.00 C ATOM 660 CZ PHE A 48 6.366 0.313 -7.203 1.00 0.00 C ATOM 0 H PHE A 48 5.255 3.078 -11.603 1.00 0.00 H new ATOM 0 HA PHE A 48 3.968 0.411 -11.613 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.650 3.026 -10.043 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.598 1.643 -9.817 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.603 -0.509 -8.969 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.755 3.126 -8.976 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.201 -1.452 -7.292 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.352 2.185 -7.299 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.057 -0.094 -6.480 1.00 0.00 H new ATOM 670 N ASP A 49 1.951 0.972 -12.871 1.00 0.00 N ATOM 671 CA ASP A 49 0.812 1.255 -13.727 1.00 0.00 C ATOM 672 C ASP A 49 -0.444 1.403 -12.866 1.00 0.00 C ATOM 673 O ASP A 49 -1.393 0.635 -13.010 1.00 0.00 O ATOM 674 CB ASP A 49 0.572 0.116 -14.721 1.00 0.00 C ATOM 675 CG ASP A 49 1.827 -0.655 -15.135 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.543 -0.140 -16.021 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.042 -1.742 -14.558 1.00 0.00 O ATOM 0 H ASP A 49 2.091 -0.016 -12.660 1.00 0.00 H new ATOM 0 HA ASP A 49 1.023 2.173 -14.275 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.139 -0.585 -14.283 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.104 0.527 -15.616 1.00 0.00 H new ATOM 682 N PHE A 50 -0.408 2.396 -11.990 1.00 0.00 N ATOM 683 CA PHE A 50 -1.531 2.655 -11.105 1.00 0.00 C ATOM 684 C PHE A 50 -2.765 3.090 -11.899 1.00 0.00 C ATOM 685 O PHE A 50 -2.872 4.248 -12.302 1.00 0.00 O ATOM 686 CB PHE A 50 -1.112 3.793 -10.171 1.00 0.00 C ATOM 687 CG PHE A 50 -0.069 3.389 -9.128 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.367 2.102 -9.065 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.421 4.317 -8.262 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.336 1.728 -8.096 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.389 3.942 -7.294 1.00 0.00 C ATOM 692 CZ PHE A 50 1.827 2.655 -7.231 1.00 0.00 C ATOM 0 H PHE A 50 0.382 3.031 -11.874 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.787 1.750 -10.554 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.714 4.613 -10.769 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.996 4.173 -9.658 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.023 1.365 -9.751 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.074 5.338 -8.311 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.683 0.706 -8.046 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.778 4.679 -6.607 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.564 2.370 -6.495 1.00 0.00 H new ATOM 702 N SER A 51 -3.665 2.139 -12.099 1.00 0.00 N ATOM 703 CA SER A 51 -4.888 2.410 -12.837 1.00 0.00 C ATOM 704 C SER A 51 -5.829 3.272 -11.993 1.00 0.00 C ATOM 705 O SER A 51 -7.036 3.287 -12.224 1.00 0.00 O ATOM 706 CB SER A 51 -5.583 1.110 -13.246 1.00 0.00 C ATOM 707 OG SER A 51 -6.015 0.357 -12.116 1.00 0.00 O ATOM 0 H SER A 51 -3.573 1.180 -11.763 1.00 0.00 H new ATOM 0 HA SER A 51 -4.626 2.952 -13.746 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.441 1.341 -13.877 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.900 0.507 -13.844 1.00 0.00 H new ATOM 0 HG SER A 51 -6.455 -0.464 -12.419 1.00 0.00 H new ATOM 713 N VAL A 52 -5.239 3.969 -11.032 1.00 0.00 N ATOM 714 CA VAL A 52 -6.009 4.831 -10.153 1.00 0.00 C ATOM 715 C VAL A 52 -5.465 6.258 -10.239 1.00 0.00 C ATOM 716 O VAL A 52 -4.341 6.470 -10.694 1.00 0.00 O ATOM 717 CB VAL A 52 -5.998 4.272 -8.729 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.480 2.820 -8.707 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.607 4.397 -8.103 1.00 0.00 C ATOM 0 H VAL A 52 -4.237 3.954 -10.844 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.052 4.861 -10.468 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.690 4.864 -8.130 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.463 2.446 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.497 2.768 -9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.824 2.209 -9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.626 3.993 -7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.887 3.841 -8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.316 5.447 -8.069 1.00 0.00 H new ATOM 729 N SER A 53 -6.285 7.199 -9.795 1.00 0.00 N ATOM 730 CA SER A 53 -5.899 8.600 -9.816 1.00 0.00 C ATOM 731 C SER A 53 -5.063 8.930 -8.578 1.00 0.00 C ATOM 732 O SER A 53 -4.876 8.083 -7.706 1.00 0.00 O ATOM 733 CB SER A 53 -7.128 9.509 -9.886 1.00 0.00 C ATOM 734 OG SER A 53 -7.888 9.287 -11.070 1.00 0.00 O ATOM 0 H SER A 53 -7.216 7.019 -9.418 1.00 0.00 H new ATOM 0 HA SER A 53 -5.300 8.777 -10.709 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.757 9.336 -9.013 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.811 10.551 -9.849 1.00 0.00 H new ATOM 0 HG SER A 53 -8.665 9.885 -11.077 1.00 0.00 H new ATOM 740 N SER A 54 -4.583 10.165 -8.540 1.00 0.00 N ATOM 741 CA SER A 54 -3.772 10.619 -7.423 1.00 0.00 C ATOM 742 C SER A 54 -4.610 11.496 -6.490 1.00 0.00 C ATOM 743 O SER A 54 -5.747 11.839 -6.809 1.00 0.00 O ATOM 744 CB SER A 54 -2.542 11.387 -7.912 1.00 0.00 C ATOM 745 OG SER A 54 -2.771 12.793 -7.947 1.00 0.00 O ATOM 0 H SER A 54 -4.740 10.865 -9.265 1.00 0.00 H new ATOM 0 HA SER A 54 -3.425 9.744 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.697 11.173 -7.257 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.269 11.039 -8.908 1.00 0.00 H new ATOM 0 HG SER A 54 -1.963 13.248 -8.263 1.00 0.00 H new ATOM 751 N PRO A 55 -3.999 11.842 -5.325 1.00 0.00 N ATOM 752 CA PRO A 55 -2.650 11.393 -5.024 1.00 0.00 C ATOM 753 C PRO A 55 -2.640 9.914 -4.630 1.00 0.00 C ATOM 754 O PRO A 55 -3.665 9.368 -4.226 1.00 0.00 O ATOM 755 CB PRO A 55 -2.171 12.307 -3.910 1.00 0.00 C ATOM 756 CG PRO A 55 -3.422 12.926 -3.310 1.00 0.00 C ATOM 757 CD PRO A 55 -4.575 12.667 -4.267 1.00 0.00 C ATOM 0 HA PRO A 55 -1.984 11.454 -5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.614 11.748 -3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.502 13.076 -4.296 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.632 12.491 -2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.284 13.997 -3.160 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.397 12.154 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.976 13.599 -4.665 1.00 0.00 H new ATOM 765 N TYR A 56 -1.469 9.308 -4.763 1.00 0.00 N ATOM 766 CA TYR A 56 -1.312 7.903 -4.426 1.00 0.00 C ATOM 767 C TYR A 56 -0.752 7.738 -3.012 1.00 0.00 C ATOM 768 O TYR A 56 0.316 8.261 -2.697 1.00 0.00 O ATOM 769 CB TYR A 56 -0.304 7.339 -5.430 1.00 0.00 C ATOM 770 CG TYR A 56 -0.813 7.307 -6.872 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.123 6.958 -7.133 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.036 7.625 -7.912 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.602 6.928 -8.491 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.442 7.594 -9.268 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.739 7.247 -9.491 1.00 0.00 C ATOM 776 OH TYR A 56 -2.192 7.218 -10.774 1.00 0.00 O ATOM 0 H TYR A 56 -0.621 9.764 -5.099 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.273 7.389 -4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.606 7.937 -5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.034 6.327 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.788 6.708 -6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.061 7.898 -7.708 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.625 6.658 -8.710 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.213 7.840 -10.090 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.899 6.544 -10.856 1.00 0.00 H new ATOM 786 N TYR A 57 -1.499 7.008 -2.196 1.00 0.00 N ATOM 787 CA TYR A 57 -1.092 6.767 -0.822 1.00 0.00 C ATOM 788 C TYR A 57 -0.531 5.352 -0.656 1.00 0.00 C ATOM 789 O TYR A 57 -1.093 4.393 -1.183 1.00 0.00 O ATOM 790 CB TYR A 57 -2.358 6.904 0.024 1.00 0.00 C ATOM 791 CG TYR A 57 -3.063 8.254 -0.127 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.374 9.341 -0.623 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.390 8.383 0.236 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.038 10.611 -0.764 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.053 9.653 0.094 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.345 10.705 -0.399 1.00 0.00 C ATOM 797 OH TYR A 57 -4.972 11.904 -0.532 1.00 0.00 O ATOM 0 H TYR A 57 -2.384 6.576 -2.460 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.313 7.469 -0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.053 6.110 -0.249 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.100 6.755 1.073 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.337 9.240 -0.906 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.929 7.532 0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.510 11.470 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.090 9.768 0.373 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.616 12.534 0.129 1.00 0.00 H new ATOM 807 N GLU A 58 0.567 5.267 0.079 1.00 0.00 N ATOM 808 CA GLU A 58 1.208 3.986 0.320 1.00 0.00 C ATOM 809 C GLU A 58 0.867 3.477 1.722 1.00 0.00 C ATOM 810 O GLU A 58 0.813 4.256 2.673 1.00 0.00 O ATOM 811 CB GLU A 58 2.723 4.086 0.127 1.00 0.00 C ATOM 812 CG GLU A 58 3.326 5.141 1.057 1.00 0.00 C ATOM 813 CD GLU A 58 4.424 4.536 1.934 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.586 4.540 1.473 1.00 0.00 O ATOM 815 OE2 GLU A 58 4.077 4.082 3.046 1.00 0.00 O ATOM 0 H GLU A 58 1.029 6.064 0.516 1.00 0.00 H new ATOM 0 HA GLU A 58 0.828 3.269 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.183 3.117 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.945 4.340 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.737 5.959 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.544 5.565 1.687 1.00 0.00 H new ATOM 822 N TRP A 59 0.644 2.175 1.807 1.00 0.00 N ATOM 823 CA TRP A 59 0.308 1.553 3.076 1.00 0.00 C ATOM 824 C TRP A 59 0.707 0.078 3.000 1.00 0.00 C ATOM 825 O TRP A 59 0.660 -0.527 1.931 1.00 0.00 O ATOM 826 CB TRP A 59 -1.170 1.757 3.413 1.00 0.00 C ATOM 827 CG TRP A 59 -1.664 0.909 4.586 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.321 -0.259 4.542 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.513 1.211 5.989 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.602 -0.729 5.808 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.096 0.193 6.717 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.904 2.308 6.623 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.127 0.171 8.117 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -0.943 2.271 8.022 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.526 1.254 8.770 1.00 0.00 C ATOM 0 H TRP A 59 0.689 1.532 1.016 1.00 0.00 H new ATOM 0 HA TRP A 59 0.859 2.020 3.892 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.338 2.809 3.643 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.768 1.524 2.532 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.596 -0.768 3.630 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.091 -1.595 6.036 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.442 3.116 6.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.590 -0.638 8.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.488 3.091 8.558 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.515 1.299 9.849 1.00 0.00 H new ATOM 846 N PRO A 60 1.099 -0.473 4.181 1.00 0.00 N ATOM 847 CA PRO A 60 1.506 -1.865 4.258 1.00 0.00 C ATOM 848 C PRO A 60 0.293 -2.795 4.189 1.00 0.00 C ATOM 849 O PRO A 60 -0.802 -2.424 4.607 1.00 0.00 O ATOM 850 CB PRO A 60 2.268 -1.980 5.568 1.00 0.00 C ATOM 851 CG PRO A 60 1.865 -0.770 6.393 1.00 0.00 C ATOM 852 CD PRO A 60 1.168 0.214 5.468 1.00 0.00 C ATOM 0 HA PRO A 60 2.134 -2.167 3.419 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.018 -2.906 6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.344 -1.993 5.394 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.201 -1.066 7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.742 -0.310 6.849 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.174 0.467 5.836 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.726 1.147 5.390 1.00 0.00 H new ATOM 860 N ILE A 61 0.529 -3.985 3.657 1.00 0.00 N ATOM 861 CA ILE A 61 -0.530 -4.971 3.528 1.00 0.00 C ATOM 862 C ILE A 61 -0.216 -6.172 4.422 1.00 0.00 C ATOM 863 O ILE A 61 0.898 -6.695 4.396 1.00 0.00 O ATOM 864 CB ILE A 61 -0.744 -5.338 2.058 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.114 -5.986 1.849 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.393 -6.222 1.543 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.576 -5.837 0.398 1.00 0.00 C ATOM 0 H ILE A 61 1.439 -4.289 3.310 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.478 -4.558 3.871 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.729 -4.420 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.064 -7.043 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.843 -5.526 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.217 -6.468 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.339 -5.689 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.435 -7.140 2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.552 -6.306 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.648 -4.779 0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.857 -6.319 -0.264 1.00 0.00 H new ATOM 879 N LEU A 62 -1.217 -6.575 5.192 1.00 0.00 N ATOM 880 CA LEU A 62 -1.060 -7.704 6.093 1.00 0.00 C ATOM 881 C LEU A 62 -1.601 -8.967 5.418 1.00 0.00 C ATOM 882 O LEU A 62 -2.766 -9.015 5.027 1.00 0.00 O ATOM 883 CB LEU A 62 -1.708 -7.404 7.446 1.00 0.00 C ATOM 884 CG LEU A 62 -0.949 -6.432 8.352 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.852 -5.903 9.467 1.00 0.00 C ATOM 886 CD2 LEU A 62 0.324 -7.077 8.902 1.00 0.00 C ATOM 0 H LEU A 62 -2.139 -6.140 5.210 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.005 -7.881 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.705 -7.001 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.836 -8.345 7.982 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.642 -5.575 7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.288 -5.215 10.096 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.703 -5.381 9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.210 -6.736 10.071 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.845 -6.365 9.543 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.062 -7.963 9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.973 -7.363 8.075 1.00 0.00 H new ATOM 898 N SER A 63 -0.730 -9.959 5.304 1.00 0.00 N ATOM 899 CA SER A 63 -1.106 -11.217 4.684 1.00 0.00 C ATOM 900 C SER A 63 -2.114 -11.955 5.567 1.00 0.00 C ATOM 901 O SER A 63 -2.462 -13.103 5.294 1.00 0.00 O ATOM 902 CB SER A 63 0.121 -12.095 4.433 1.00 0.00 C ATOM 903 OG SER A 63 -0.211 -13.288 3.727 1.00 0.00 O ATOM 0 H SER A 63 0.235 -9.916 5.631 1.00 0.00 H new ATOM 0 HA SER A 63 -1.567 -10.999 3.721 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.860 -11.531 3.864 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.582 -12.354 5.386 1.00 0.00 H new ATOM 0 HG SER A 63 -1.044 -13.659 4.085 1.00 0.00 H new ATOM 909 N SER A 64 -2.556 -11.266 6.610 1.00 0.00 N ATOM 910 CA SER A 64 -3.517 -11.841 7.535 1.00 0.00 C ATOM 911 C SER A 64 -4.874 -11.153 7.375 1.00 0.00 C ATOM 912 O SER A 64 -5.868 -11.593 7.948 1.00 0.00 O ATOM 913 CB SER A 64 -3.029 -11.723 8.980 1.00 0.00 C ATOM 914 OG SER A 64 -2.267 -12.858 9.381 1.00 0.00 O ATOM 0 H SER A 64 -2.266 -10.314 6.834 1.00 0.00 H new ATOM 0 HA SER A 64 -3.624 -12.900 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.422 -10.824 9.085 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.886 -11.609 9.644 1.00 0.00 H new ATOM 0 HG SER A 64 -1.973 -12.743 10.309 1.00 0.00 H new ATOM 920 N GLY A 65 -4.871 -10.084 6.591 1.00 0.00 N ATOM 921 CA GLY A 65 -6.090 -9.331 6.348 1.00 0.00 C ATOM 922 C GLY A 65 -6.423 -8.428 7.538 1.00 0.00 C ATOM 923 O GLY A 65 -7.587 -8.292 7.911 1.00 0.00 O ATOM 0 H GLY A 65 -4.044 -9.722 6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.975 -8.726 5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.916 -10.018 6.166 1.00 0.00 H new ATOM 927 N ASP A 66 -5.380 -7.836 8.101 1.00 0.00 N ATOM 928 CA ASP A 66 -5.546 -6.950 9.241 1.00 0.00 C ATOM 929 C ASP A 66 -5.009 -5.563 8.886 1.00 0.00 C ATOM 930 O ASP A 66 -4.831 -5.243 7.712 1.00 0.00 O ATOM 931 CB ASP A 66 -4.770 -7.463 10.456 1.00 0.00 C ATOM 932 CG ASP A 66 -5.310 -8.755 11.070 1.00 0.00 C ATOM 933 OD1 ASP A 66 -6.040 -9.467 10.347 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.982 -9.002 12.251 1.00 0.00 O ATOM 0 H ASP A 66 -4.416 -7.953 7.789 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.608 -6.909 9.484 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.732 -7.623 10.164 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.769 -6.687 11.222 1.00 0.00 H new ATOM 939 N VAL A 67 -4.763 -4.776 9.924 1.00 0.00 N ATOM 940 CA VAL A 67 -4.249 -3.430 9.736 1.00 0.00 C ATOM 941 C VAL A 67 -2.889 -3.307 10.427 1.00 0.00 C ATOM 942 O VAL A 67 -2.777 -3.536 11.630 1.00 0.00 O ATOM 943 CB VAL A 67 -5.269 -2.405 10.237 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.609 -1.046 10.475 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.445 -2.281 9.267 1.00 0.00 C ATOM 0 H VAL A 67 -4.910 -5.045 10.897 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.095 -3.224 8.677 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.659 -2.760 11.191 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.356 -0.336 10.831 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.822 -1.150 11.222 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.178 -0.682 9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.155 -1.546 9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.080 -1.961 8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.940 -3.247 9.170 1.00 0.00 H new ATOM 955 N TYR A 68 -1.890 -2.948 9.635 1.00 0.00 N ATOM 956 CA TYR A 68 -0.541 -2.792 10.155 1.00 0.00 C ATOM 957 C TYR A 68 -0.405 -1.487 10.941 1.00 0.00 C ATOM 958 O TYR A 68 -0.500 -0.401 10.371 1.00 0.00 O ATOM 959 CB TYR A 68 0.378 -2.737 8.934 1.00 0.00 C ATOM 960 CG TYR A 68 1.295 -3.953 8.789 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.014 -4.408 9.875 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.401 -4.596 7.572 1.00 0.00 C ATOM 963 CE1 TYR A 68 2.877 -5.553 9.739 1.00 0.00 C ATOM 964 CE2 TYR A 68 2.263 -5.740 7.436 1.00 0.00 C ATOM 965 CZ TYR A 68 2.960 -6.163 8.526 1.00 0.00 C ATOM 966 OH TYR A 68 3.774 -7.244 8.398 1.00 0.00 O ATOM 0 H TYR A 68 -1.987 -2.760 8.637 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.292 -3.612 10.828 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.233 -2.647 8.036 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.991 -1.838 8.994 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.930 -3.906 10.827 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.837 -4.240 6.722 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.445 -5.919 10.581 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.355 -6.252 6.490 1.00 0.00 H new ATOM 0 HH TYR A 68 4.544 -7.009 7.840 1.00 0.00 H new ATOM 976 N SER A 69 -0.182 -1.635 12.239 1.00 0.00 N ATOM 977 CA SER A 69 -0.031 -0.483 13.110 1.00 0.00 C ATOM 978 C SER A 69 1.161 -0.687 14.047 1.00 0.00 C ATOM 979 O SER A 69 1.011 -0.648 15.266 1.00 0.00 O ATOM 980 CB SER A 69 -1.305 -0.232 13.919 1.00 0.00 C ATOM 981 OG SER A 69 -1.456 -1.170 14.982 1.00 0.00 O ATOM 0 H SER A 69 -0.102 -2.537 12.708 1.00 0.00 H new ATOM 0 HA SER A 69 0.150 0.393 12.488 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.282 0.778 14.328 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.171 -0.289 13.259 1.00 0.00 H new ATOM 0 HG SER A 69 -0.697 -1.092 15.597 1.00 0.00 H new ATOM 987 N GLY A 70 2.320 -0.898 13.440 1.00 0.00 N ATOM 988 CA GLY A 70 3.537 -1.108 14.205 1.00 0.00 C ATOM 989 C GLY A 70 4.718 -0.373 13.569 1.00 0.00 C ATOM 990 O GLY A 70 5.815 -0.353 14.126 1.00 0.00 O ATOM 0 H GLY A 70 2.442 -0.928 12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.393 -0.757 15.227 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.756 -2.174 14.262 1.00 0.00 H new ATOM 994 N GLY A 71 4.454 0.215 12.411 1.00 0.00 N ATOM 995 CA GLY A 71 5.482 0.949 11.693 1.00 0.00 C ATOM 996 C GLY A 71 6.424 -0.004 10.955 1.00 0.00 C ATOM 997 O GLY A 71 7.115 0.399 10.021 1.00 0.00 O ATOM 0 H GLY A 71 3.543 0.198 11.952 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.017 1.630 10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.052 1.560 12.392 1.00 0.00 H new ATOM 1001 N SER A 72 6.421 -1.252 11.403 1.00 0.00 N ATOM 1002 CA SER A 72 7.267 -2.265 10.796 1.00 0.00 C ATOM 1003 C SER A 72 6.403 -3.333 10.121 1.00 0.00 C ATOM 1004 O SER A 72 6.203 -4.414 10.671 1.00 0.00 O ATOM 1005 CB SER A 72 8.188 -2.908 11.835 1.00 0.00 C ATOM 1006 OG SER A 72 9.359 -2.129 12.065 1.00 0.00 O ATOM 0 H SER A 72 5.847 -1.583 12.178 1.00 0.00 H new ATOM 0 HA SER A 72 7.892 -1.783 10.044 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.646 -3.033 12.772 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.475 -3.904 11.498 1.00 0.00 H new ATOM 0 HG SER A 72 9.920 -2.572 12.735 1.00 0.00 H new ATOM 1012 N PRO A 73 5.900 -2.982 8.907 1.00 0.00 N ATOM 1013 CA PRO A 73 5.063 -3.897 8.151 1.00 0.00 C ATOM 1014 C PRO A 73 5.899 -5.013 7.521 1.00 0.00 C ATOM 1015 O PRO A 73 5.620 -6.192 7.726 1.00 0.00 O ATOM 1016 CB PRO A 73 4.360 -3.027 7.121 1.00 0.00 C ATOM 1017 CG PRO A 73 5.174 -1.747 7.032 1.00 0.00 C ATOM 1018 CD PRO A 73 6.116 -1.709 8.224 1.00 0.00 C ATOM 0 HA PRO A 73 4.337 -4.417 8.776 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.312 -3.528 6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.334 -2.817 7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.737 -1.717 6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.518 -0.877 7.036 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.153 -1.601 7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.894 -0.866 8.878 1.00 0.00 H new ATOM 1026 N GLY A 74 6.906 -4.599 6.767 1.00 0.00 N ATOM 1027 CA GLY A 74 7.784 -5.550 6.106 1.00 0.00 C ATOM 1028 C GLY A 74 8.211 -5.036 4.730 1.00 0.00 C ATOM 1029 O GLY A 74 9.023 -4.116 4.630 1.00 0.00 O ATOM 0 H GLY A 74 7.134 -3.619 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.666 -5.726 6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.274 -6.507 5.999 1.00 0.00 H new ATOM 1033 N ALA A 75 7.646 -5.651 3.702 1.00 0.00 N ATOM 1034 CA ALA A 75 7.959 -5.267 2.335 1.00 0.00 C ATOM 1035 C ALA A 75 6.657 -5.007 1.573 1.00 0.00 C ATOM 1036 O ALA A 75 6.561 -4.045 0.813 1.00 0.00 O ATOM 1037 CB ALA A 75 8.810 -6.357 1.680 1.00 0.00 C ATOM 0 H ALA A 75 6.973 -6.413 3.787 1.00 0.00 H new ATOM 0 HA ALA A 75 8.541 -4.346 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.044 -6.069 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.735 -6.483 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.257 -7.296 1.675 1.00 0.00 H new ATOM 1043 N ASP A 76 5.689 -5.882 1.804 1.00 0.00 N ATOM 1044 CA ASP A 76 4.398 -5.759 1.148 1.00 0.00 C ATOM 1045 C ASP A 76 3.754 -4.429 1.545 1.00 0.00 C ATOM 1046 O ASP A 76 3.741 -4.067 2.722 1.00 0.00 O ATOM 1047 CB ASP A 76 3.455 -6.886 1.573 1.00 0.00 C ATOM 1048 CG ASP A 76 4.145 -8.196 1.955 1.00 0.00 C ATOM 1049 OD1 ASP A 76 5.164 -8.512 1.303 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.638 -8.853 2.891 1.00 0.00 O ATOM 0 H ASP A 76 5.773 -6.678 2.436 1.00 0.00 H new ATOM 0 HA ASP A 76 4.560 -5.811 0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.863 -6.544 2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.759 -7.084 0.758 1.00 0.00 H new ATOM 1055 N ARG A 77 3.236 -3.735 0.542 1.00 0.00 N ATOM 1056 CA ARG A 77 2.593 -2.453 0.772 1.00 0.00 C ATOM 1057 C ARG A 77 1.527 -2.195 -0.295 1.00 0.00 C ATOM 1058 O ARG A 77 1.716 -2.536 -1.462 1.00 0.00 O ATOM 1059 CB ARG A 77 3.612 -1.312 0.750 1.00 0.00 C ATOM 1060 CG ARG A 77 4.864 -1.682 1.549 1.00 0.00 C ATOM 1061 CD ARG A 77 4.758 -1.190 2.994 1.00 0.00 C ATOM 1062 NE ARG A 77 6.101 -1.154 3.616 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.627 -2.163 4.322 1.00 0.00 C ATOM 1064 NH1 ARG A 77 5.930 -3.293 4.501 1.00 0.00 N ATOM 1065 NH2 ARG A 77 7.854 -2.044 4.851 1.00 0.00 N ATOM 0 H ARG A 77 3.249 -4.037 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 77 2.127 -2.489 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.887 -1.085 -0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.163 -0.410 1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.000 -2.763 1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.744 -1.245 1.076 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.311 -0.196 3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.102 -1.848 3.564 1.00 0.00 H new ATOM 0 HE ARG A 77 6.660 -0.309 3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.997 -3.386 4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.332 -4.061 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.387 -1.185 4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.254 -2.813 5.389 1.00 0.00 H new ATOM 1079 N VAL A 78 0.430 -1.595 0.142 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.666 -1.287 -0.760 1.00 0.00 C ATOM 1081 C VAL A 78 -0.739 0.227 -0.969 1.00 0.00 C ATOM 1082 O VAL A 78 -0.814 0.988 -0.006 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.970 -1.880 -0.223 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.788 -2.397 1.206 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -3.107 -0.860 -0.296 1.00 0.00 C ATOM 0 H VAL A 78 0.277 -1.314 1.110 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.496 -1.742 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.239 -2.727 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.729 -2.814 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.021 -3.171 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.484 -1.575 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.022 -1.307 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.850 0.015 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.261 -0.560 -1.333 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.717 0.619 -2.235 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.779 2.029 -2.582 1.00 0.00 C ATOM 1097 C VAL A 79 -2.187 2.365 -3.079 1.00 0.00 C ATOM 1098 O VAL A 79 -2.778 1.603 -3.842 1.00 0.00 O ATOM 1099 CB VAL A 79 0.311 2.365 -3.602 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.130 3.783 -4.149 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.704 2.185 -2.996 1.00 0.00 C ATOM 0 H VAL A 79 -0.657 -0.015 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.587 2.648 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 79 0.216 1.669 -4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.917 3.997 -4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.842 3.864 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.186 4.499 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.460 2.430 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.815 2.846 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.831 1.150 -2.677 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.683 3.506 -2.624 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.010 3.953 -3.013 1.00 0.00 C ATOM 1113 C PHE A 80 -4.069 5.478 -3.113 1.00 0.00 C ATOM 1114 O PHE A 80 -3.039 6.133 -3.270 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.976 3.487 -1.921 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.744 4.150 -0.562 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.599 3.902 0.129 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.682 4.987 -0.045 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.384 4.517 1.392 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.468 5.602 1.217 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.323 5.354 1.909 1.00 0.00 C ATOM 0 H PHE A 80 -2.190 4.134 -1.990 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.269 3.543 -3.989 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.997 3.689 -2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.886 2.407 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.853 3.238 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.591 5.184 -0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.475 4.320 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.214 6.266 1.627 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.160 5.822 2.869 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.282 5.999 -3.016 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.489 7.436 -3.094 1.00 0.00 C ATOM 1133 C ASN A 81 -6.514 7.857 -2.039 1.00 0.00 C ATOM 1134 O ASN A 81 -6.862 7.072 -1.158 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.029 7.841 -4.467 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.676 6.795 -5.526 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.803 6.985 -6.356 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.402 5.684 -5.451 1.00 0.00 N ATOM 0 H ASN A 81 -6.133 5.452 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.529 7.925 -2.926 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.111 7.960 -4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.615 8.808 -4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.243 4.925 -6.114 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.118 5.590 -4.730 1.00 0.00 H new ATOM 1145 N GLU A 82 -6.969 9.096 -2.163 1.00 0.00 N ATOM 1146 CA GLU A 82 -7.947 9.631 -1.232 1.00 0.00 C ATOM 1147 C GLU A 82 -9.366 9.345 -1.729 1.00 0.00 C ATOM 1148 O GLU A 82 -10.327 9.943 -1.250 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.733 11.130 -1.014 1.00 0.00 C ATOM 1150 CG GLU A 82 -8.933 11.756 -0.299 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.515 13.004 0.482 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -8.189 14.008 -0.188 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -8.531 12.926 1.728 1.00 0.00 O ATOM 0 H GLU A 82 -6.678 9.744 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.814 9.135 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.830 11.290 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.579 11.623 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.699 12.019 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.376 11.028 0.381 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.451 8.431 -2.685 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.735 8.059 -3.253 1.00 0.00 C ATOM 1162 C ASN A 83 -11.139 6.679 -2.730 1.00 0.00 C ATOM 1163 O ASN A 83 -12.320 6.335 -2.723 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.661 7.983 -4.779 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.209 7.968 -5.258 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.714 6.749 -5.449 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -8.578 8.997 -5.442 1.00 0.00 N flip ATOM 0 H ASN A 83 -8.651 7.937 -3.080 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.463 8.817 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.172 7.085 -5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.182 8.835 -5.215 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.018 9.902 -5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.610 8.952 -5.762 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.135 5.926 -2.304 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.370 4.592 -1.780 1.00 0.00 C ATOM 1176 C ASN A 84 -9.929 3.556 -2.818 1.00 0.00 C ATOM 1177 O ASN A 84 -10.373 2.409 -2.782 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.856 4.368 -1.490 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.599 3.920 -2.750 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.052 4.352 -3.883 1.00 0.00 O flip ATOM 1181 ND2 ASN A 84 -13.603 3.230 -2.698 1.00 0.00 N flip ATOM 0 H ASN A 84 -9.157 6.215 -2.311 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.802 4.488 -0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.968 3.615 -0.710 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.299 5.289 -1.110 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.971 2.932 -1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.075 2.951 -3.558 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.064 3.999 -3.718 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.559 3.125 -4.763 1.00 0.00 C ATOM 1190 C GLN A 85 -7.091 2.779 -4.503 1.00 0.00 C ATOM 1191 O GLN A 85 -6.283 3.661 -4.218 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.735 3.762 -6.143 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.205 4.090 -6.411 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.353 4.959 -7.663 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -11.009 4.598 -8.626 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.710 6.121 -7.594 1.00 0.00 N ATOM 0 H GLN A 85 -8.700 4.951 -3.745 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.138 2.202 -4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.138 4.672 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.364 3.083 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.771 3.167 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.628 4.609 -5.551 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.179 6.361 -6.757 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.748 6.772 -8.378 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.793 1.492 -4.609 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.437 1.019 -4.389 1.00 0.00 C ATOM 1207 C LEU A 86 -4.667 1.053 -5.711 1.00 0.00 C ATOM 1208 O LEU A 86 -5.192 0.656 -6.749 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.452 -0.359 -3.722 1.00 0.00 C ATOM 1210 CG LEU A 86 -4.250 -1.259 -4.016 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -3.881 -2.097 -2.789 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -4.503 -2.128 -5.249 1.00 0.00 C ATOM 0 H LEU A 86 -7.467 0.763 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.912 1.678 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.520 -0.218 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.357 -0.881 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.394 -0.623 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.024 -2.728 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.629 -1.436 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.727 -2.724 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.633 -2.758 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.376 -2.757 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.680 -1.489 -6.114 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.435 1.535 -5.629 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.588 1.627 -6.806 1.00 0.00 C ATOM 1226 C ALA A 87 -2.220 0.219 -7.275 1.00 0.00 C ATOM 1227 O ALA A 87 -2.266 -0.074 -8.470 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.357 2.476 -6.484 1.00 0.00 C ATOM 0 H ALA A 87 -3.004 1.866 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.117 2.118 -7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.722 2.545 -7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.672 3.476 -6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.799 2.013 -5.670 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.862 -0.617 -6.311 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.485 -1.987 -6.611 1.00 0.00 C ATOM 1236 C GLY A 88 -0.980 -2.704 -5.357 1.00 0.00 C ATOM 1237 O GLY A 88 -1.606 -2.631 -4.302 1.00 0.00 O ATOM 0 H GLY A 88 -1.825 -0.371 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.342 -2.522 -7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.709 -1.995 -7.376 1.00 0.00 H new ATOM 1241 N VAL A 89 0.149 -3.382 -5.515 1.00 0.00 N ATOM 1242 CA VAL A 89 0.745 -4.110 -4.409 1.00 0.00 C ATOM 1243 C VAL A 89 2.264 -4.145 -4.586 1.00 0.00 C ATOM 1244 O VAL A 89 2.795 -5.030 -5.255 1.00 0.00 O ATOM 1245 CB VAL A 89 0.123 -5.505 -4.305 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.928 -6.395 -3.358 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.342 -5.421 -3.869 1.00 0.00 C ATOM 0 H VAL A 89 0.665 -3.442 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 89 0.539 -3.605 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 89 0.152 -5.960 -5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.465 -7.380 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.948 -6.494 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.947 -5.946 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.760 -6.425 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.404 -4.937 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.906 -4.841 -4.599 1.00 0.00 H new ATOM 1257 N ILE A 90 2.920 -3.171 -3.974 1.00 0.00 N ATOM 1258 CA ILE A 90 4.369 -3.078 -4.056 1.00 0.00 C ATOM 1259 C ILE A 90 4.993 -3.948 -2.963 1.00 0.00 C ATOM 1260 O ILE A 90 4.291 -4.454 -2.090 1.00 0.00 O ATOM 1261 CB ILE A 90 4.815 -1.616 -4.009 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.669 -1.043 -2.597 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.066 -0.780 -5.048 1.00 0.00 C ATOM 1264 CD1 ILE A 90 3.988 0.327 -2.629 1.00 0.00 C ATOM 0 H ILE A 90 2.476 -2.439 -3.419 1.00 0.00 H new ATOM 0 HA ILE A 90 4.723 -3.464 -5.012 1.00 0.00 H new ATOM 0 HB ILE A 90 5.874 -1.574 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.087 -1.728 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.651 -0.954 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.402 0.255 -4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.266 -1.174 -6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.995 -0.825 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.897 0.712 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.585 1.016 -3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.996 0.230 -3.071 1.00 0.00 H new ATOM 1276 N THR A 91 6.308 -4.095 -3.048 1.00 0.00 N ATOM 1277 CA THR A 91 7.035 -4.895 -2.077 1.00 0.00 C ATOM 1278 C THR A 91 8.535 -4.613 -2.171 1.00 0.00 C ATOM 1279 O THR A 91 9.040 -4.265 -3.238 1.00 0.00 O ATOM 1280 CB THR A 91 6.677 -6.364 -2.312 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.822 -7.078 -1.855 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.587 -6.715 -3.798 1.00 0.00 C ATOM 0 H THR A 91 6.888 -3.674 -3.774 1.00 0.00 H new ATOM 0 HA THR A 91 6.750 -4.635 -1.057 1.00 0.00 H new ATOM 0 HB THR A 91 5.726 -6.587 -1.829 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.941 -7.886 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.330 -7.769 -3.908 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.819 -6.103 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.548 -6.524 -4.276 1.00 0.00 H new ATOM 1290 N HIS A 92 9.207 -4.775 -1.041 1.00 0.00 N ATOM 1291 CA HIS A 92 10.641 -4.542 -0.983 1.00 0.00 C ATOM 1292 C HIS A 92 11.381 -5.754 -1.553 1.00 0.00 C ATOM 1293 O HIS A 92 12.594 -5.880 -1.388 1.00 0.00 O ATOM 1294 CB HIS A 92 11.077 -4.197 0.442 1.00 0.00 C ATOM 1295 CG HIS A 92 10.851 -2.754 0.822 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.761 -2.020 1.562 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.808 -1.915 0.555 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.277 -0.798 1.729 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.066 -0.735 1.104 1.00 0.00 N ATOM 0 H HIS A 92 8.786 -5.065 -0.158 1.00 0.00 H new ATOM 0 HA HIS A 92 10.899 -3.680 -1.599 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.536 -4.835 1.141 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.136 -4.429 0.553 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.922 -2.169 -0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.757 0.007 2.266 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.459 0.084 1.065 1.00 0.00 H new ATOM 1308 N THR A 93 10.620 -6.616 -2.211 1.00 0.00 N ATOM 1309 CA THR A 93 11.189 -7.813 -2.807 1.00 0.00 C ATOM 1310 C THR A 93 12.439 -7.464 -3.615 1.00 0.00 C ATOM 1311 O THR A 93 12.365 -7.272 -4.828 1.00 0.00 O ATOM 1312 CB THR A 93 10.097 -8.492 -3.637 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.362 -9.256 -2.685 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.661 -9.540 -4.599 1.00 0.00 C ATOM 0 H THR A 93 9.614 -6.509 -2.345 1.00 0.00 H new ATOM 0 HA THR A 93 11.521 -8.516 -2.043 1.00 0.00 H new ATOM 0 HB THR A 93 9.548 -7.738 -4.201 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.632 -9.728 -3.138 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.845 -9.992 -5.164 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.359 -9.064 -5.287 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.181 -10.312 -4.032 1.00 0.00 H new ATOM 1322 N GLY A 94 13.560 -7.393 -2.912 1.00 0.00 N ATOM 1323 CA GLY A 94 14.825 -7.071 -3.550 1.00 0.00 C ATOM 1324 C GLY A 94 14.621 -6.094 -4.710 1.00 0.00 C ATOM 1325 O GLY A 94 15.310 -6.177 -5.725 1.00 0.00 O ATOM 0 H GLY A 94 13.618 -7.553 -1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.505 -6.635 -2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.294 -7.984 -3.917 1.00 0.00 H new ATOM 1329 N ALA A 95 13.671 -5.190 -4.520 1.00 0.00 N ATOM 1330 CA ALA A 95 13.367 -4.198 -5.537 1.00 0.00 C ATOM 1331 C ALA A 95 14.660 -3.499 -5.963 1.00 0.00 C ATOM 1332 O ALA A 95 14.836 -3.173 -7.136 1.00 0.00 O ATOM 1333 CB ALA A 95 12.323 -3.217 -5.000 1.00 0.00 C ATOM 0 H ALA A 95 13.102 -5.124 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 95 12.942 -4.673 -6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.096 -2.473 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.414 -3.759 -4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.714 -2.718 -4.113 1.00 0.00 H new ATOM 1339 N SER A 96 15.531 -3.290 -4.987 1.00 0.00 N ATOM 1340 CA SER A 96 16.803 -2.635 -5.246 1.00 0.00 C ATOM 1341 C SER A 96 17.101 -1.616 -4.144 1.00 0.00 C ATOM 1342 O SER A 96 17.601 -0.528 -4.420 1.00 0.00 O ATOM 1343 CB SER A 96 16.801 -1.952 -6.615 1.00 0.00 C ATOM 1344 OG SER A 96 17.905 -1.064 -6.769 1.00 0.00 O ATOM 0 H SER A 96 15.382 -3.562 -4.015 1.00 0.00 H new ATOM 0 HA SER A 96 17.585 -3.394 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.833 -2.709 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 96 15.870 -1.399 -6.743 1.00 0.00 H new ATOM 0 HG SER A 96 17.885 -0.390 -6.058 1.00 0.00 H new ATOM 1350 N GLY A 97 16.779 -2.006 -2.919 1.00 0.00 N ATOM 1351 CA GLY A 97 17.006 -1.140 -1.775 1.00 0.00 C ATOM 1352 C GLY A 97 15.686 -0.773 -1.094 1.00 0.00 C ATOM 1353 O GLY A 97 14.975 -1.646 -0.599 1.00 0.00 O ATOM 0 H GLY A 97 16.363 -2.910 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.661 -1.639 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.518 -0.233 -2.097 1.00 0.00 H new ATOM 1357 N ASN A 98 15.398 0.520 -1.094 1.00 0.00 N ATOM 1358 CA ASN A 98 14.175 1.014 -0.483 1.00 0.00 C ATOM 1359 C ASN A 98 13.095 1.156 -1.557 1.00 0.00 C ATOM 1360 O ASN A 98 11.929 1.389 -1.242 1.00 0.00 O ATOM 1361 CB ASN A 98 14.393 2.388 0.153 1.00 0.00 C ATOM 1362 CG ASN A 98 13.101 2.911 0.784 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.197 1.967 1.030 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 12.936 4.095 1.032 1.00 0.00 N flip ATOM 0 H ASN A 98 15.990 1.241 -1.507 1.00 0.00 H new ATOM 0 HA ASN A 98 13.872 0.304 0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.172 2.322 0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.744 3.091 -0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.672 4.768 0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.063 4.411 1.454 1.00 0.00 H new ATOM 1371 N ASN A 99 13.521 1.010 -2.803 1.00 0.00 N ATOM 1372 CA ASN A 99 12.605 1.120 -3.926 1.00 0.00 C ATOM 1373 C ASN A 99 11.529 0.040 -3.807 1.00 0.00 C ATOM 1374 O ASN A 99 11.776 -1.029 -3.249 1.00 0.00 O ATOM 1375 CB ASN A 99 13.335 0.917 -5.254 1.00 0.00 C ATOM 1376 CG ASN A 99 13.732 -0.548 -5.443 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.025 -1.180 -4.310 1.00 0.00 O flip ATOM 1378 ND2 ASN A 99 13.771 -1.071 -6.545 1.00 0.00 N flip ATOM 0 H ASN A 99 14.489 0.816 -3.060 1.00 0.00 H new ATOM 0 HA ASN A 99 12.165 2.117 -3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.694 1.233 -6.077 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.225 1.545 -5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.534 -0.529 -7.376 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.041 -2.050 -6.635 1.00 0.00 H new ATOM 1385 N PHE A 100 10.358 0.354 -4.341 1.00 0.00 N ATOM 1386 CA PHE A 100 9.243 -0.577 -4.302 1.00 0.00 C ATOM 1387 C PHE A 100 9.012 -1.213 -5.675 1.00 0.00 C ATOM 1388 O PHE A 100 9.622 -0.806 -6.662 1.00 0.00 O ATOM 1389 CB PHE A 100 8.002 0.227 -3.911 1.00 0.00 C ATOM 1390 CG PHE A 100 7.846 0.436 -2.403 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.699 -0.636 -1.580 1.00 0.00 C ATOM 1392 CD2 PHE A 100 7.856 1.694 -1.887 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.554 -0.442 -0.180 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.711 1.888 -0.488 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.563 0.816 0.336 1.00 0.00 C ATOM 0 H PHE A 100 10.157 1.241 -4.803 1.00 0.00 H new ATOM 0 HA PHE A 100 9.451 -1.376 -3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.043 1.200 -4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.117 -0.283 -4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.692 -1.635 -1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 100 7.974 2.545 -2.541 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.437 -1.293 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.718 2.887 -0.078 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.453 0.964 1.400 1.00 0.00 H new ATOM 1405 N VAL A 101 8.130 -2.201 -5.693 1.00 0.00 N ATOM 1406 CA VAL A 101 7.811 -2.897 -6.928 1.00 0.00 C ATOM 1407 C VAL A 101 6.505 -3.673 -6.747 1.00 0.00 C ATOM 1408 O VAL A 101 6.328 -4.376 -5.754 1.00 0.00 O ATOM 1409 CB VAL A 101 8.983 -3.788 -7.344 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.208 -2.948 -7.709 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.319 -4.800 -6.246 1.00 0.00 C ATOM 0 H VAL A 101 7.626 -2.536 -4.872 1.00 0.00 H new ATOM 0 HA VAL A 101 7.657 -2.186 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 101 8.682 -4.344 -8.232 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.027 -3.606 -8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.961 -2.286 -8.539 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.511 -2.353 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.155 -5.421 -6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.590 -4.270 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.451 -5.431 -6.055 1.00 0.00 H new ATOM 1421 N GLU A 102 5.623 -3.519 -7.725 1.00 0.00 N ATOM 1422 CA GLU A 102 4.337 -4.197 -7.686 1.00 0.00 C ATOM 1423 C GLU A 102 4.538 -5.713 -7.619 1.00 0.00 C ATOM 1424 O GLU A 102 5.229 -6.288 -8.458 1.00 0.00 O ATOM 1425 CB GLU A 102 3.478 -3.811 -8.891 1.00 0.00 C ATOM 1426 CG GLU A 102 4.350 -3.351 -10.062 1.00 0.00 C ATOM 1427 CD GLU A 102 3.598 -3.478 -11.388 1.00 0.00 C ATOM 1428 OE1 GLU A 102 3.468 -4.628 -11.859 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.170 -2.422 -11.901 1.00 0.00 O ATOM 0 H GLU A 102 5.773 -2.936 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 102 3.808 -3.880 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.871 -4.663 -9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.789 -3.014 -8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.653 -2.315 -9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.261 -3.948 -10.098 1.00 0.00 H new ATOM 1436 N CYS A 103 3.922 -6.314 -6.612 1.00 0.00 N ATOM 1437 CA CYS A 103 4.025 -7.752 -6.424 1.00 0.00 C ATOM 1438 C CYS A 103 3.563 -8.438 -7.711 1.00 0.00 C ATOM 1439 O CYS A 103 3.390 -7.786 -8.740 1.00 0.00 O ATOM 1440 CB CYS A 103 3.225 -8.221 -5.207 1.00 0.00 C ATOM 1441 SG CYS A 103 3.737 -7.475 -3.618 1.00 0.00 S ATOM 0 H CYS A 103 3.350 -5.833 -5.918 1.00 0.00 H new ATOM 0 HA CYS A 103 5.061 -8.023 -6.221 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.171 -7.997 -5.374 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.312 -9.305 -5.128 1.00 0.00 H new ATOM 0 HG CYS A 103 3.203 -8.138 -2.635 1.00 0.00 H new ATOM 1446 N THR A 104 3.375 -9.746 -7.611 1.00 0.00 N ATOM 1447 CA THR A 104 2.935 -10.528 -8.755 1.00 0.00 C ATOM 1448 C THR A 104 1.561 -11.142 -8.484 1.00 0.00 C ATOM 1449 O THR A 104 0.912 -11.647 -9.399 1.00 0.00 O ATOM 1450 CB THR A 104 4.015 -11.568 -9.058 1.00 0.00 C ATOM 1451 OG1 THR A 104 4.135 -12.309 -7.848 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.398 -10.939 -9.248 1.00 0.00 C ATOM 0 H THR A 104 3.519 -10.284 -6.756 1.00 0.00 H new ATOM 0 HA THR A 104 2.808 -9.901 -9.638 1.00 0.00 H new ATOM 0 HB THR A 104 3.741 -12.122 -9.956 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.511 -11.951 -7.182 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.127 -11.721 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.367 -10.236 -10.080 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.686 -10.412 -8.338 1.00 0.00 H new TER 1460 THR A 104