USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 784 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 100 LYS NZ :NH3+ -136:sc= -2.35 (180deg=-4.84!) USER MOD Set 1.2: A 102 THR OG1 : rot 52:sc= 0.95 USER MOD Set 2.1: A 33 ASN : amide:sc= -0.209 K(o=-16,f=-21!) USER MOD Set 2.2: A 39 HIS : no HD1:sc= -2.35 K(o=-16,f=-34!) USER MOD Set 2.3: A 89 CYS SG : rot 176:sc= -5.35! USER MOD Set 2.4: A 92 HIS : no HE2:sc= -0.852 K(o=-16,f=-29!) USER MOD Set 2.5: A 97 MET CE :methyl -124:sc= -7.3! (180deg=-7.7!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ -150:sc= -0.267! (180deg=-4.01!) USER MOD Set 3.2: A 63 GLN : amide:sc= 0.938 K(o=0.67,f=-13!) USER MOD Set 4.1: A 28 THR OG1 : rot -76:sc= 1.14 USER MOD Set 4.2: A 75 THR OG1 : rot 180:sc= -0.586! USER MOD Set 5.1: A 20 LYS NZ :NH3+ 154:sc= -0.444! (180deg=-0.669) USER MOD Set 5.2: A 22 THR OG1 : rot -175:sc= 0.348 USER MOD Set 6.1: A 1 GLU N :NH3+ -151:sc= -5.04! (180deg=-10.6!) USER MOD Set 6.2: A 3 TYR OH : rot 16:sc= 2.15 USER MOD Set 6.3: A 24 LYS NZ :NH3+ -137:sc= -0.952 (180deg=-3.83!) USER MOD Single : A 2 THR OG1 : rot -63:sc= -1.93! USER MOD Single : A 4 THR OG1 : rot 87:sc= 0.717 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.171 (180deg=-0.598) USER MOD Single : A 9 SER OG : rot -163:sc= 0.867 USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 0.873 (180deg=0.541!) USER MOD Single : A 34 ASN : amide:sc= -2.61 K(o=-2.6,f=-9.8!) USER MOD Single : A 35 LYS NZ :NH3+ -130:sc= 1.73 (180deg=-1.35) USER MOD Single : A 40 ASN : amide:sc= -10.4! C(o=-10!,f=-19!) USER MOD Single : A 48 ASN : amide:sc= -0.548 K(o=-0.55,f=-6.7!) USER MOD Single : A 51 LYS NZ :NH3+ 139:sc= 0.991 (180deg=-0.373) USER MOD Single : A 52 SER OG : rot -61:sc= 0.528 USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= -3.7! (180deg=-3.8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0577 USER MOD Single : A 60 SER OG : rot 22:sc= 1.22 USER MOD Single : A 61 HIS : no HE2:sc= -2.98! C(o=-3!,f=-6!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 169:sc= -2.16 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -110:sc= 0.581 USER MOD Single : A 74 THR OG1 : rot -150:sc= -0.118 USER MOD Single : A 85 TYR OH : rot 79:sc= 0.416 USER MOD Single : A 86 THR OG1 : rot 125:sc= -0.878 USER MOD Single : A 88 TYR OH : rot 90:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -3.879 -6.193 -15.044 1.00 0.00 N ATOM 2 CA GLU A 1 -3.143 -5.504 -16.148 1.00 0.00 C ATOM 3 C GLU A 1 -2.723 -4.092 -15.677 1.00 0.00 C ATOM 4 O GLU A 1 -2.954 -3.757 -14.533 1.00 0.00 O ATOM 5 CB GLU A 1 -4.068 -5.422 -17.424 1.00 0.00 C ATOM 6 CG GLU A 1 -4.383 -6.875 -17.945 1.00 0.00 C ATOM 7 CD GLU A 1 -4.969 -7.726 -16.857 1.00 0.00 C ATOM 8 OE1 GLU A 1 -6.137 -7.602 -16.593 1.00 0.00 O ATOM 9 OE2 GLU A 1 -4.201 -8.453 -16.282 1.00 0.00 O ATOM 0 H1 GLU A 1 -3.739 -7.221 -15.122 1.00 0.00 H new ATOM 0 H2 GLU A 1 -3.517 -5.863 -14.127 1.00 0.00 H new ATOM 0 H3 GLU A 1 -4.894 -5.975 -15.114 1.00 0.00 H new ATOM 0 HA GLU A 1 -2.245 -6.065 -16.409 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -4.995 -4.904 -17.180 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -3.575 -4.844 -18.206 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -5.078 -6.821 -18.783 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -3.469 -7.336 -18.319 1.00 0.00 H new ATOM 18 N THR A 2 -2.113 -3.291 -16.509 1.00 0.00 N ATOM 19 CA THR A 2 -1.703 -1.892 -16.081 1.00 0.00 C ATOM 20 C THR A 2 -2.864 -0.987 -15.680 1.00 0.00 C ATOM 21 O THR A 2 -3.455 -0.289 -16.476 1.00 0.00 O ATOM 22 CB THR A 2 -0.937 -1.174 -17.207 1.00 0.00 C ATOM 23 OG1 THR A 2 0.228 -1.966 -17.295 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.350 0.163 -16.769 1.00 0.00 C ATOM 0 H THR A 2 -1.874 -3.532 -17.471 1.00 0.00 H new ATOM 0 HA THR A 2 -1.079 -2.054 -15.202 1.00 0.00 H new ATOM 0 HB THR A 2 -1.583 -1.038 -18.074 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.721 -1.917 -16.450 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.178 0.620 -17.606 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.153 0.823 -16.442 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.346 0.003 -15.946 1.00 0.00 H new ATOM 32 N TYR A 3 -3.177 -1.044 -14.426 1.00 0.00 N ATOM 33 CA TYR A 3 -4.298 -0.199 -13.866 1.00 0.00 C ATOM 34 C TYR A 3 -3.635 1.034 -13.175 1.00 0.00 C ATOM 35 O TYR A 3 -2.456 0.981 -12.894 1.00 0.00 O ATOM 36 CB TYR A 3 -5.084 -1.054 -12.837 1.00 0.00 C ATOM 37 CG TYR A 3 -5.554 -2.414 -13.388 1.00 0.00 C ATOM 38 CD1 TYR A 3 -5.860 -2.638 -14.719 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.676 -3.461 -12.503 1.00 0.00 C ATOM 40 CE1 TYR A 3 -6.277 -3.894 -15.138 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.089 -4.703 -12.927 1.00 0.00 C ATOM 42 CZ TYR A 3 -6.386 -4.924 -14.236 1.00 0.00 C ATOM 43 OH TYR A 3 -6.766 -6.189 -14.608 1.00 0.00 O ATOM 0 H TYR A 3 -2.710 -1.641 -13.743 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.991 0.137 -14.638 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.454 -1.224 -11.964 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.953 -0.490 -12.498 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.774 -1.833 -15.434 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.444 -3.305 -11.460 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.517 -4.062 -16.178 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.178 -5.510 -12.214 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.686 -6.282 -15.580 1.00 0.00 H new ATOM 53 N THR A 4 -4.361 2.087 -12.902 1.00 0.00 N ATOM 54 CA THR A 4 -3.715 3.295 -12.231 1.00 0.00 C ATOM 55 C THR A 4 -4.067 3.550 -10.759 1.00 0.00 C ATOM 56 O THR A 4 -5.211 3.699 -10.371 1.00 0.00 O ATOM 57 CB THR A 4 -4.053 4.590 -13.057 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.596 5.697 -12.294 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.530 4.923 -13.115 1.00 0.00 C ATOM 0 H THR A 4 -5.357 2.179 -13.104 1.00 0.00 H new ATOM 0 HA THR A 4 -2.652 3.053 -12.224 1.00 0.00 H new ATOM 0 HB THR A 4 -3.630 4.420 -14.047 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.653 5.869 -12.500 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.676 5.829 -13.703 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.071 4.098 -13.579 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.907 5.081 -12.105 1.00 0.00 H new ATOM 67 N VAL A 5 -3.044 3.582 -9.949 1.00 0.00 N ATOM 68 CA VAL A 5 -3.211 3.828 -8.477 1.00 0.00 C ATOM 69 C VAL A 5 -2.858 5.312 -8.252 1.00 0.00 C ATOM 70 O VAL A 5 -1.713 5.715 -8.156 1.00 0.00 O ATOM 71 CB VAL A 5 -2.251 2.887 -7.695 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.390 3.147 -6.184 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.674 1.433 -7.932 1.00 0.00 C ATOM 0 H VAL A 5 -2.078 3.446 -10.246 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.223 3.623 -8.127 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.230 3.068 -8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.717 2.487 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.135 4.185 -5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.417 2.954 -5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.006 0.766 -7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.696 1.289 -7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.622 1.208 -8.997 1.00 0.00 H new ATOM 83 N LYS A 6 -3.903 6.081 -8.185 1.00 0.00 N ATOM 84 CA LYS A 6 -3.838 7.569 -7.976 1.00 0.00 C ATOM 85 C LYS A 6 -3.315 8.013 -6.574 1.00 0.00 C ATOM 86 O LYS A 6 -4.050 8.586 -5.796 1.00 0.00 O ATOM 87 CB LYS A 6 -5.296 8.066 -8.281 1.00 0.00 C ATOM 88 CG LYS A 6 -5.718 7.643 -9.734 1.00 0.00 C ATOM 89 CD LYS A 6 -5.038 8.584 -10.768 1.00 0.00 C ATOM 90 CE LYS A 6 -5.880 9.838 -10.982 1.00 0.00 C ATOM 91 NZ LYS A 6 -4.964 10.884 -11.543 1.00 0.00 N ATOM 0 H LYS A 6 -4.856 5.727 -8.270 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.096 8.021 -8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.991 7.645 -7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.348 9.150 -8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.428 6.609 -9.922 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.802 7.694 -9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.044 8.861 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.908 8.060 -11.715 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.704 9.638 -11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.320 10.173 -10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.528 11.655 -11.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.363 11.263 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.365 10.461 -12.280 1.00 0.00 H new ATOM 105 N LEU A 7 -2.065 7.705 -6.327 1.00 0.00 N ATOM 106 CA LEU A 7 -1.291 8.011 -5.056 1.00 0.00 C ATOM 107 C LEU A 7 -1.739 9.295 -4.289 1.00 0.00 C ATOM 108 O LEU A 7 -1.019 10.269 -4.215 1.00 0.00 O ATOM 109 CB LEU A 7 0.233 8.116 -5.439 1.00 0.00 C ATOM 110 CG LEU A 7 0.701 6.990 -6.387 1.00 0.00 C ATOM 111 CD1 LEU A 7 2.186 7.184 -6.687 1.00 0.00 C ATOM 112 CD2 LEU A 7 0.566 5.645 -5.695 1.00 0.00 C ATOM 0 H LEU A 7 -1.495 7.210 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.494 7.197 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.416 9.080 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.832 8.089 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 7 0.098 7.021 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.528 6.394 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.338 8.153 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.753 7.143 -5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.897 4.855 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.180 5.636 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.477 5.478 -5.425 1.00 0.00 H new ATOM 124 N GLY A 8 -2.915 9.255 -3.733 1.00 0.00 N ATOM 125 CA GLY A 8 -3.501 10.415 -2.966 1.00 0.00 C ATOM 126 C GLY A 8 -4.704 10.912 -3.765 1.00 0.00 C ATOM 127 O GLY A 8 -4.745 12.051 -4.171 1.00 0.00 O ATOM 0 H GLY A 8 -3.526 8.439 -3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.803 10.104 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.764 11.209 -2.843 1.00 0.00 H new ATOM 131 N SER A 9 -5.629 10.010 -3.958 1.00 0.00 N ATOM 132 CA SER A 9 -6.922 10.244 -4.732 1.00 0.00 C ATOM 133 C SER A 9 -7.229 11.642 -5.340 1.00 0.00 C ATOM 134 O SER A 9 -8.270 12.233 -5.133 1.00 0.00 O ATOM 135 CB SER A 9 -8.124 9.817 -3.816 1.00 0.00 C ATOM 136 OG SER A 9 -7.968 10.396 -2.520 1.00 0.00 O ATOM 0 H SER A 9 -5.549 9.060 -3.595 1.00 0.00 H new ATOM 0 HA SER A 9 -6.775 9.639 -5.626 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.065 10.141 -4.259 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.166 8.731 -3.737 1.00 0.00 H new ATOM 0 HG SER A 9 -8.549 9.931 -1.882 1.00 0.00 H new ATOM 142 N ASP A 10 -6.284 12.100 -6.113 1.00 0.00 N ATOM 143 CA ASP A 10 -6.287 13.420 -6.841 1.00 0.00 C ATOM 144 C ASP A 10 -7.144 14.611 -6.281 1.00 0.00 C ATOM 145 O ASP A 10 -6.596 15.658 -5.987 1.00 0.00 O ATOM 146 CB ASP A 10 -6.671 13.054 -8.317 1.00 0.00 C ATOM 147 CG ASP A 10 -5.453 12.679 -9.096 1.00 0.00 C ATOM 148 OD1 ASP A 10 -5.001 11.571 -8.942 1.00 0.00 O ATOM 149 OD2 ASP A 10 -4.973 13.502 -9.850 1.00 0.00 O ATOM 0 H ASP A 10 -5.432 11.567 -6.287 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.298 13.860 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.381 12.227 -8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.167 13.901 -8.791 1.00 0.00 H new ATOM 154 N LYS A 11 -8.432 14.475 -6.164 1.00 0.00 N ATOM 155 CA LYS A 11 -9.274 15.602 -5.616 1.00 0.00 C ATOM 156 C LYS A 11 -9.853 15.150 -4.233 1.00 0.00 C ATOM 157 O LYS A 11 -10.857 15.654 -3.750 1.00 0.00 O ATOM 158 CB LYS A 11 -10.405 15.906 -6.669 1.00 0.00 C ATOM 159 CG LYS A 11 -10.726 17.451 -6.756 1.00 0.00 C ATOM 160 CD LYS A 11 -11.105 18.070 -5.369 1.00 0.00 C ATOM 161 CE LYS A 11 -12.433 17.521 -4.844 1.00 0.00 C ATOM 162 NZ LYS A 11 -12.350 17.574 -3.351 1.00 0.00 N ATOM 0 H LYS A 11 -8.951 13.635 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.700 16.514 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.096 15.543 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.310 15.361 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.859 17.976 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.547 17.608 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.315 17.859 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.171 19.154 -5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.271 18.116 -5.208 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.594 16.499 -5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.308 17.524 -2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.787 16.770 -3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.898 18.464 -3.060 1.00 0.00 H new ATOM 176 N GLY A 12 -9.191 14.201 -3.632 1.00 0.00 N ATOM 177 CA GLY A 12 -9.607 13.640 -2.291 1.00 0.00 C ATOM 178 C GLY A 12 -8.616 13.864 -1.148 1.00 0.00 C ATOM 179 O GLY A 12 -8.647 14.900 -0.515 1.00 0.00 O ATOM 0 H GLY A 12 -8.351 13.770 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.563 14.083 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.772 12.568 -2.401 1.00 0.00 H new ATOM 183 N LEU A 13 -7.772 12.903 -0.903 1.00 0.00 N ATOM 184 CA LEU A 13 -6.759 13.034 0.208 1.00 0.00 C ATOM 185 C LEU A 13 -5.454 12.241 -0.068 1.00 0.00 C ATOM 186 O LEU A 13 -5.303 11.644 -1.110 1.00 0.00 O ATOM 187 CB LEU A 13 -7.521 12.558 1.484 1.00 0.00 C ATOM 188 CG LEU A 13 -6.686 12.572 2.781 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.151 13.984 3.053 1.00 0.00 C ATOM 190 CD2 LEU A 13 -7.644 12.247 3.925 1.00 0.00 C ATOM 0 H LEU A 13 -7.731 12.025 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.398 14.057 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.396 13.193 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.886 11.545 1.315 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.859 11.867 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.564 13.980 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.522 14.301 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.987 14.675 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.097 12.245 4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.432 12.999 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.087 11.265 3.761 1.00 0.00 H new ATOM 202 N LEU A 14 -4.522 12.230 0.846 1.00 0.00 N ATOM 203 CA LEU A 14 -3.241 11.464 0.626 1.00 0.00 C ATOM 204 C LEU A 14 -3.467 9.925 0.778 1.00 0.00 C ATOM 205 O LEU A 14 -2.705 9.233 1.417 1.00 0.00 O ATOM 206 CB LEU A 14 -2.203 11.973 1.673 1.00 0.00 C ATOM 207 CG LEU A 14 -1.498 13.243 1.206 1.00 0.00 C ATOM 208 CD1 LEU A 14 -0.747 13.846 2.389 1.00 0.00 C ATOM 209 CD2 LEU A 14 -0.414 12.827 0.200 1.00 0.00 C ATOM 0 H LEU A 14 -4.584 12.716 1.740 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.877 11.631 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.707 12.165 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.463 11.194 1.858 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.223 13.940 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.237 14.755 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.453 14.085 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.014 13.129 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.112 13.713 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.294 12.155 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.878 12.317 -0.644 1.00 0.00 H new ATOM 221 N VAL A 15 -4.495 9.410 0.170 1.00 0.00 N ATOM 222 CA VAL A 15 -4.798 7.943 0.266 1.00 0.00 C ATOM 223 C VAL A 15 -4.684 7.074 -1.023 1.00 0.00 C ATOM 224 O VAL A 15 -4.609 7.531 -2.153 1.00 0.00 O ATOM 225 CB VAL A 15 -6.228 7.891 0.884 1.00 0.00 C ATOM 226 CG1 VAL A 15 -7.219 8.594 -0.055 1.00 0.00 C ATOM 227 CG2 VAL A 15 -6.749 6.459 1.088 1.00 0.00 C ATOM 0 H VAL A 15 -5.152 9.944 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.018 7.474 0.866 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.154 8.380 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.219 8.557 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.919 9.633 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.223 8.091 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.749 6.494 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.787 5.945 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.081 5.921 1.760 1.00 0.00 H new ATOM 237 N PHE A 16 -4.677 5.802 -0.759 1.00 0.00 N ATOM 238 CA PHE A 16 -4.584 4.722 -1.800 1.00 0.00 C ATOM 239 C PHE A 16 -5.949 4.039 -2.107 1.00 0.00 C ATOM 240 O PHE A 16 -6.211 2.926 -1.692 1.00 0.00 O ATOM 241 CB PHE A 16 -3.574 3.680 -1.291 1.00 0.00 C ATOM 242 CG PHE A 16 -2.107 3.983 -1.606 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.594 5.201 -2.007 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.255 2.929 -1.450 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.232 5.329 -2.241 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.088 3.043 -1.672 1.00 0.00 C ATOM 247 CZ PHE A 16 0.605 4.240 -2.069 1.00 0.00 C ATOM 0 H PHE A 16 -4.735 5.438 0.192 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.264 5.174 -2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.685 3.588 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.828 2.711 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.249 6.049 -2.138 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.655 1.974 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.175 6.278 -2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.736 2.190 -1.534 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.665 4.339 -2.249 1.00 0.00 H new ATOM 257 N GLU A 17 -6.789 4.714 -2.827 1.00 0.00 N ATOM 258 CA GLU A 17 -8.134 4.140 -3.183 1.00 0.00 C ATOM 259 C GLU A 17 -8.106 3.410 -4.567 1.00 0.00 C ATOM 260 O GLU A 17 -7.431 3.867 -5.472 1.00 0.00 O ATOM 261 CB GLU A 17 -9.112 5.331 -3.168 1.00 0.00 C ATOM 262 CG GLU A 17 -9.281 5.819 -1.690 1.00 0.00 C ATOM 263 CD GLU A 17 -10.124 7.081 -1.589 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.546 8.124 -1.836 1.00 0.00 O ATOM 265 OE2 GLU A 17 -11.281 6.913 -1.272 1.00 0.00 O ATOM 0 H GLU A 17 -6.612 5.649 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.443 3.374 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.733 6.140 -3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.076 5.034 -3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.744 5.028 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.298 6.006 -1.257 1.00 0.00 H new ATOM 272 N PRO A 18 -8.807 2.305 -4.728 1.00 0.00 N ATOM 273 CA PRO A 18 -9.514 1.496 -3.672 1.00 0.00 C ATOM 274 C PRO A 18 -8.652 0.413 -2.928 1.00 0.00 C ATOM 275 O PRO A 18 -8.783 -0.762 -3.204 1.00 0.00 O ATOM 276 CB PRO A 18 -10.671 0.911 -4.461 1.00 0.00 C ATOM 277 CG PRO A 18 -9.954 0.522 -5.790 1.00 0.00 C ATOM 278 CD PRO A 18 -9.005 1.714 -6.084 1.00 0.00 C ATOM 0 HA PRO A 18 -9.805 2.109 -2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -11.116 0.049 -3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.470 1.635 -4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.399 -0.410 -5.683 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.670 0.376 -6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.064 1.385 -6.526 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.451 2.427 -6.777 1.00 0.00 H new ATOM 286 N ALA A 19 -7.818 0.853 -2.022 1.00 0.00 N ATOM 287 CA ALA A 19 -6.870 0.053 -1.153 1.00 0.00 C ATOM 288 C ALA A 19 -6.605 -1.465 -1.388 1.00 0.00 C ATOM 289 O ALA A 19 -5.473 -1.915 -1.347 1.00 0.00 O ATOM 290 CB ALA A 19 -7.372 0.308 0.287 1.00 0.00 C ATOM 0 H ALA A 19 -7.746 1.851 -1.825 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.875 0.411 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.743 -0.234 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.326 1.375 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.402 -0.037 0.380 1.00 0.00 H new ATOM 296 N LYS A 20 -7.641 -2.210 -1.624 1.00 0.00 N ATOM 297 CA LYS A 20 -7.501 -3.689 -1.864 1.00 0.00 C ATOM 298 C LYS A 20 -7.663 -4.081 -3.360 1.00 0.00 C ATOM 299 O LYS A 20 -8.641 -4.675 -3.778 1.00 0.00 O ATOM 300 CB LYS A 20 -8.565 -4.457 -0.977 1.00 0.00 C ATOM 301 CG LYS A 20 -10.054 -4.081 -1.303 1.00 0.00 C ATOM 302 CD LYS A 20 -10.986 -5.339 -1.033 1.00 0.00 C ATOM 303 CE LYS A 20 -11.546 -5.949 -2.341 1.00 0.00 C ATOM 304 NZ LYS A 20 -10.374 -6.186 -3.228 1.00 0.00 N ATOM 0 H LYS A 20 -8.599 -1.862 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.488 -3.976 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.433 -5.530 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.369 -4.245 0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.372 -3.240 -0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.142 -3.766 -2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.420 -6.099 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.814 -5.043 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.076 -6.880 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.259 -5.272 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.591 -6.956 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.161 -5.319 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.549 -6.449 -2.651 1.00 0.00 H new ATOM 318 N LEU A 21 -6.702 -3.756 -4.171 1.00 0.00 N ATOM 319 CA LEU A 21 -6.832 -4.126 -5.622 1.00 0.00 C ATOM 320 C LEU A 21 -6.648 -5.666 -5.774 1.00 0.00 C ATOM 321 O LEU A 21 -5.574 -6.201 -5.578 1.00 0.00 O ATOM 322 CB LEU A 21 -5.749 -3.373 -6.415 1.00 0.00 C ATOM 323 CG LEU A 21 -5.941 -3.470 -7.963 1.00 0.00 C ATOM 324 CD1 LEU A 21 -4.563 -3.274 -8.593 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.598 -4.778 -8.500 1.00 0.00 C ATOM 0 H LEU A 21 -5.848 -3.262 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.816 -3.852 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.755 -2.324 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.770 -3.773 -6.151 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.659 -2.698 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.647 -3.334 -9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.171 -2.296 -8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.887 -4.052 -8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.677 -4.726 -9.586 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.984 -5.634 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.593 -4.889 -8.069 1.00 0.00 H new ATOM 337 N THR A 22 -7.697 -6.358 -6.117 1.00 0.00 N ATOM 338 CA THR A 22 -7.592 -7.860 -6.288 1.00 0.00 C ATOM 339 C THR A 22 -7.158 -8.146 -7.736 1.00 0.00 C ATOM 340 O THR A 22 -7.959 -8.443 -8.599 1.00 0.00 O ATOM 341 CB THR A 22 -8.965 -8.556 -6.022 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.324 -8.313 -4.658 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.796 -10.072 -6.001 1.00 0.00 C ATOM 0 H THR A 22 -8.623 -5.965 -6.289 1.00 0.00 H new ATOM 0 HA THR A 22 -6.868 -8.251 -5.573 1.00 0.00 H new ATOM 0 HB THR A 22 -9.665 -8.197 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.144 -8.805 -4.443 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.761 -10.543 -5.815 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.408 -10.408 -6.962 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.098 -10.349 -5.211 1.00 0.00 H new ATOM 351 N ILE A 23 -5.878 -8.033 -7.956 1.00 0.00 N ATOM 352 CA ILE A 23 -5.293 -8.272 -9.318 1.00 0.00 C ATOM 353 C ILE A 23 -5.124 -9.754 -9.634 1.00 0.00 C ATOM 354 O ILE A 23 -5.480 -10.631 -8.863 1.00 0.00 O ATOM 355 CB ILE A 23 -3.865 -7.656 -9.476 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.939 -8.137 -8.349 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.875 -6.156 -9.447 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.485 -8.160 -8.905 1.00 0.00 C ATOM 0 H ILE A 23 -5.196 -7.781 -7.241 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.008 -7.800 -9.992 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.504 -7.989 -10.449 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.008 -7.472 -7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.234 -9.130 -8.010 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.857 -5.783 -9.561 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.492 -5.780 -10.263 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.283 -5.813 -8.496 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.803 -8.498 -8.125 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.431 -8.840 -9.755 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.202 -7.157 -9.225 1.00 0.00 H new ATOM 370 N LYS A 24 -4.573 -9.986 -10.790 1.00 0.00 N ATOM 371 CA LYS A 24 -4.335 -11.379 -11.221 1.00 0.00 C ATOM 372 C LYS A 24 -2.793 -11.641 -11.194 1.00 0.00 C ATOM 373 O LYS A 24 -2.026 -10.705 -11.084 1.00 0.00 O ATOM 374 CB LYS A 24 -4.950 -11.553 -12.654 1.00 0.00 C ATOM 375 CG LYS A 24 -6.504 -11.561 -12.582 1.00 0.00 C ATOM 376 CD LYS A 24 -7.127 -10.125 -12.524 1.00 0.00 C ATOM 377 CE LYS A 24 -7.186 -9.448 -13.900 1.00 0.00 C ATOM 378 NZ LYS A 24 -5.875 -8.860 -14.234 1.00 0.00 N ATOM 0 H LYS A 24 -4.279 -9.268 -11.452 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.808 -12.105 -10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.614 -10.743 -13.301 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.596 -12.483 -13.098 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.899 -12.086 -13.452 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.818 -12.122 -11.701 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.134 -10.187 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.541 -9.506 -11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.471 -10.176 -14.660 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.951 -8.672 -13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.013 -7.916 -14.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.301 -8.779 -13.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.385 -9.470 -14.920 1.00 0.00 H new ATOM 392 N PRO A 25 -2.348 -12.872 -11.278 1.00 0.00 N ATOM 393 CA PRO A 25 -0.876 -13.162 -11.374 1.00 0.00 C ATOM 394 C PRO A 25 -0.073 -12.406 -12.491 1.00 0.00 C ATOM 395 O PRO A 25 0.228 -12.984 -13.518 1.00 0.00 O ATOM 396 CB PRO A 25 -0.863 -14.713 -11.503 1.00 0.00 C ATOM 397 CG PRO A 25 -2.246 -15.016 -12.134 1.00 0.00 C ATOM 398 CD PRO A 25 -3.166 -14.122 -11.305 1.00 0.00 C ATOM 0 HA PRO A 25 -0.333 -12.781 -10.509 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.045 -15.060 -12.135 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.745 -15.199 -10.534 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.277 -14.764 -13.194 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.513 -16.069 -12.049 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.139 -13.975 -11.774 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.350 -14.522 -10.308 1.00 0.00 H new ATOM 406 N GLY A 26 0.255 -11.147 -12.294 1.00 0.00 N ATOM 407 CA GLY A 26 1.037 -10.394 -13.361 1.00 0.00 C ATOM 408 C GLY A 26 0.820 -8.879 -13.404 1.00 0.00 C ATOM 409 O GLY A 26 1.778 -8.132 -13.412 1.00 0.00 O ATOM 0 H GLY A 26 0.025 -10.607 -11.460 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.099 -10.585 -13.209 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.775 -10.807 -14.335 1.00 0.00 H new ATOM 413 N ASP A 27 -0.426 -8.504 -13.428 1.00 0.00 N ATOM 414 CA ASP A 27 -0.911 -7.083 -13.472 1.00 0.00 C ATOM 415 C ASP A 27 0.075 -5.853 -13.340 1.00 0.00 C ATOM 416 O ASP A 27 0.376 -5.380 -12.265 1.00 0.00 O ATOM 417 CB ASP A 27 -2.052 -7.087 -12.393 1.00 0.00 C ATOM 418 CG ASP A 27 -3.298 -7.772 -12.870 1.00 0.00 C ATOM 419 OD1 ASP A 27 -3.223 -8.872 -13.334 1.00 0.00 O ATOM 420 OD2 ASP A 27 -4.349 -7.185 -12.784 1.00 0.00 O ATOM 0 H ASP A 27 -1.192 -9.178 -13.418 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.194 -6.863 -14.501 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.692 -7.583 -11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.290 -6.059 -12.118 1.00 0.00 H new ATOM 425 N THR A 28 0.542 -5.369 -14.466 1.00 0.00 N ATOM 426 CA THR A 28 1.504 -4.176 -14.604 1.00 0.00 C ATOM 427 C THR A 28 1.023 -2.774 -14.146 1.00 0.00 C ATOM 428 O THR A 28 1.314 -1.724 -14.690 1.00 0.00 O ATOM 429 CB THR A 28 1.872 -4.085 -16.048 1.00 0.00 C ATOM 430 OG1 THR A 28 2.363 -5.377 -16.326 1.00 0.00 O ATOM 431 CG2 THR A 28 3.083 -3.224 -16.304 1.00 0.00 C ATOM 0 H THR A 28 0.287 -5.769 -15.369 1.00 0.00 H new ATOM 0 HA THR A 28 2.319 -4.400 -13.915 1.00 0.00 H new ATOM 0 HB THR A 28 1.021 -3.703 -16.612 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.263 -5.473 -15.951 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.294 -3.202 -17.373 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.890 -2.211 -15.951 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.941 -3.636 -15.773 1.00 0.00 H new ATOM 439 N VAL A 29 0.272 -2.820 -13.113 1.00 0.00 N ATOM 440 CA VAL A 29 -0.333 -1.613 -12.451 1.00 0.00 C ATOM 441 C VAL A 29 0.734 -0.546 -12.135 1.00 0.00 C ATOM 442 O VAL A 29 1.882 -0.845 -11.848 1.00 0.00 O ATOM 443 CB VAL A 29 -1.045 -2.112 -11.165 1.00 0.00 C ATOM 444 CG1 VAL A 29 -1.711 -0.950 -10.409 1.00 0.00 C ATOM 445 CG2 VAL A 29 -2.155 -3.107 -11.536 1.00 0.00 C ATOM 0 H VAL A 29 0.023 -3.696 -12.653 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.047 -1.128 -13.117 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.287 -2.579 -10.536 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.201 -1.332 -9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.954 -0.219 -10.125 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.451 -0.474 -11.052 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.651 -3.454 -10.629 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.882 -2.616 -12.182 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.720 -3.958 -12.060 1.00 0.00 H new ATOM 455 N GLU A 30 0.298 0.673 -12.212 1.00 0.00 N ATOM 456 CA GLU A 30 1.171 1.833 -11.944 1.00 0.00 C ATOM 457 C GLU A 30 0.797 2.671 -10.695 1.00 0.00 C ATOM 458 O GLU A 30 -0.328 2.735 -10.231 1.00 0.00 O ATOM 459 CB GLU A 30 1.150 2.724 -13.211 1.00 0.00 C ATOM 460 CG GLU A 30 -0.320 3.250 -13.406 1.00 0.00 C ATOM 461 CD GLU A 30 -0.448 4.581 -14.116 1.00 0.00 C ATOM 462 OE1 GLU A 30 0.036 4.698 -15.217 1.00 0.00 O ATOM 463 OE2 GLU A 30 -1.050 5.425 -13.478 1.00 0.00 O ATOM 0 H GLU A 30 -0.661 0.918 -12.458 1.00 0.00 H new ATOM 0 HA GLU A 30 2.164 1.446 -11.717 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.843 3.558 -13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.471 2.155 -14.083 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.883 2.504 -13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.790 3.334 -12.426 1.00 0.00 H new ATOM 470 N PHE A 31 1.803 3.315 -10.197 1.00 0.00 N ATOM 471 CA PHE A 31 1.690 4.201 -8.995 1.00 0.00 C ATOM 472 C PHE A 31 1.811 5.639 -9.581 1.00 0.00 C ATOM 473 O PHE A 31 2.867 5.989 -10.081 1.00 0.00 O ATOM 474 CB PHE A 31 2.853 3.787 -8.033 1.00 0.00 C ATOM 475 CG PHE A 31 2.685 2.320 -7.581 1.00 0.00 C ATOM 476 CD1 PHE A 31 1.558 1.914 -6.892 1.00 0.00 C ATOM 477 CD2 PHE A 31 3.660 1.377 -7.853 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.406 0.603 -6.482 1.00 0.00 C ATOM 479 CE2 PHE A 31 3.510 0.066 -7.442 1.00 0.00 C ATOM 480 CZ PHE A 31 2.383 -0.321 -6.758 1.00 0.00 C ATOM 0 H PHE A 31 2.745 3.267 -10.585 1.00 0.00 H new ATOM 0 HA PHE A 31 0.769 4.132 -8.415 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.811 3.911 -8.537 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.864 4.443 -7.163 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.783 2.633 -6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.549 1.669 -8.393 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.518 0.305 -5.944 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.282 -0.657 -7.659 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.266 -1.346 -6.439 1.00 0.00 H new ATOM 490 N LEU A 32 0.743 6.396 -9.492 1.00 0.00 N ATOM 491 CA LEU A 32 0.651 7.807 -10.014 1.00 0.00 C ATOM 492 C LEU A 32 0.787 9.023 -9.051 1.00 0.00 C ATOM 493 O LEU A 32 -0.048 9.298 -8.210 1.00 0.00 O ATOM 494 CB LEU A 32 -0.709 7.863 -10.778 1.00 0.00 C ATOM 495 CG LEU A 32 -0.832 9.116 -11.697 1.00 0.00 C ATOM 496 CD1 LEU A 32 -1.887 8.810 -12.752 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.323 10.349 -10.933 1.00 0.00 C ATOM 0 H LEU A 32 -0.120 6.076 -9.053 1.00 0.00 H new ATOM 0 HA LEU A 32 1.553 7.956 -10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.819 6.962 -11.382 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.526 7.865 -10.057 1.00 0.00 H new ATOM 0 HG LEU A 32 0.153 9.326 -12.114 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.999 9.668 -13.414 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.579 7.941 -13.333 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.839 8.601 -12.264 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.393 11.196 -11.615 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.305 10.145 -10.506 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.621 10.584 -10.133 1.00 0.00 H new ATOM 509 N ASN A 33 1.860 9.743 -9.227 1.00 0.00 N ATOM 510 CA ASN A 33 2.156 10.963 -8.387 1.00 0.00 C ATOM 511 C ASN A 33 1.249 12.151 -8.825 1.00 0.00 C ATOM 512 O ASN A 33 1.637 12.988 -9.619 1.00 0.00 O ATOM 513 CB ASN A 33 3.651 11.291 -8.583 1.00 0.00 C ATOM 514 CG ASN A 33 4.488 10.143 -8.102 1.00 0.00 C ATOM 515 OD1 ASN A 33 4.876 10.054 -6.960 1.00 0.00 O ATOM 516 ND2 ASN A 33 4.794 9.224 -8.943 1.00 0.00 N ATOM 0 H ASN A 33 2.568 9.540 -9.933 1.00 0.00 H new ATOM 0 HA ASN A 33 1.948 10.780 -7.333 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.855 11.487 -9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.909 12.197 -8.035 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.359 8.428 -8.646 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.472 9.289 -9.909 1.00 0.00 H new ATOM 523 N ASN A 34 0.063 12.180 -8.284 1.00 0.00 N ATOM 524 CA ASN A 34 -0.931 13.261 -8.615 1.00 0.00 C ATOM 525 C ASN A 34 -0.797 14.650 -7.912 1.00 0.00 C ATOM 526 O ASN A 34 -0.939 15.663 -8.572 1.00 0.00 O ATOM 527 CB ASN A 34 -2.332 12.650 -8.342 1.00 0.00 C ATOM 528 CG ASN A 34 -2.480 12.094 -6.939 1.00 0.00 C ATOM 529 OD1 ASN A 34 -1.796 12.488 -6.031 1.00 0.00 O ATOM 530 ND2 ASN A 34 -3.350 11.191 -6.689 1.00 0.00 N ATOM 0 H ASN A 34 -0.273 11.490 -7.612 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.739 13.534 -9.653 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.092 13.414 -8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.521 11.854 -9.063 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.448 10.826 -5.742 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.946 10.836 -7.437 1.00 0.00 H new ATOM 537 N LYS A 35 -0.577 14.671 -6.632 1.00 0.00 N ATOM 538 CA LYS A 35 -0.414 15.925 -5.810 1.00 0.00 C ATOM 539 C LYS A 35 0.533 15.630 -4.615 1.00 0.00 C ATOM 540 O LYS A 35 1.151 14.585 -4.583 1.00 0.00 O ATOM 541 CB LYS A 35 -1.817 16.400 -5.291 1.00 0.00 C ATOM 542 CG LYS A 35 -2.695 16.932 -6.453 1.00 0.00 C ATOM 543 CD LYS A 35 -3.730 15.831 -6.774 1.00 0.00 C ATOM 544 CE LYS A 35 -4.592 16.147 -7.992 1.00 0.00 C ATOM 545 NZ LYS A 35 -3.714 15.992 -9.188 1.00 0.00 N ATOM 0 H LYS A 35 -0.497 13.819 -6.078 1.00 0.00 H new ATOM 0 HA LYS A 35 0.018 16.717 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.325 15.571 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.685 17.183 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.193 17.859 -6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.084 17.155 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.207 14.889 -6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.376 15.687 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.446 15.472 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.990 17.160 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.797 16.835 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.726 15.881 -8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.006 15.151 -9.726 1.00 0.00 H new ATOM 559 N VAL A 36 0.613 16.546 -3.681 1.00 0.00 N ATOM 560 CA VAL A 36 1.494 16.392 -2.451 1.00 0.00 C ATOM 561 C VAL A 36 2.555 15.230 -2.470 1.00 0.00 C ATOM 562 O VAL A 36 2.450 14.235 -1.775 1.00 0.00 O ATOM 563 CB VAL A 36 0.519 16.247 -1.220 1.00 0.00 C ATOM 564 CG1 VAL A 36 0.025 17.638 -0.795 1.00 0.00 C ATOM 565 CG2 VAL A 36 -0.762 15.470 -1.609 1.00 0.00 C ATOM 0 H VAL A 36 0.094 17.424 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 36 2.129 17.277 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 36 1.071 15.731 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.649 17.540 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.877 18.256 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.504 18.106 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.415 15.386 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.283 16.003 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.491 14.473 -1.957 1.00 0.00 H new ATOM 575 N PRO A 37 3.565 15.420 -3.295 1.00 0.00 N ATOM 576 CA PRO A 37 4.510 14.344 -3.717 1.00 0.00 C ATOM 577 C PRO A 37 5.862 14.320 -2.923 1.00 0.00 C ATOM 578 O PRO A 37 6.101 15.161 -2.075 1.00 0.00 O ATOM 579 CB PRO A 37 4.605 14.675 -5.206 1.00 0.00 C ATOM 580 CG PRO A 37 4.778 16.228 -5.166 1.00 0.00 C ATOM 581 CD PRO A 37 3.918 16.708 -3.962 1.00 0.00 C ATOM 0 HA PRO A 37 4.187 13.323 -3.512 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.450 14.180 -5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.710 14.375 -5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.825 16.504 -5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.441 16.685 -6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.477 17.370 -3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.033 17.255 -4.286 1.00 0.00 H new ATOM 589 N PRO A 38 6.719 13.362 -3.207 1.00 0.00 N ATOM 590 CA PRO A 38 6.493 12.182 -4.110 1.00 0.00 C ATOM 591 C PRO A 38 5.975 10.893 -3.409 1.00 0.00 C ATOM 592 O PRO A 38 6.003 10.753 -2.203 1.00 0.00 O ATOM 593 CB PRO A 38 7.852 12.045 -4.733 1.00 0.00 C ATOM 594 CG PRO A 38 8.762 12.225 -3.480 1.00 0.00 C ATOM 595 CD PRO A 38 8.101 13.363 -2.659 1.00 0.00 C ATOM 0 HA PRO A 38 5.683 12.333 -4.823 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.993 11.075 -5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.038 12.805 -5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.821 11.304 -2.900 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.780 12.487 -3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.118 13.159 -1.588 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.601 14.320 -2.809 1.00 0.00 H new ATOM 603 N HIS A 39 5.496 9.971 -4.193 1.00 0.00 N ATOM 604 CA HIS A 39 4.957 8.676 -3.645 1.00 0.00 C ATOM 605 C HIS A 39 5.668 7.344 -4.100 1.00 0.00 C ATOM 606 O HIS A 39 5.220 6.751 -5.063 1.00 0.00 O ATOM 607 CB HIS A 39 3.477 8.718 -4.051 1.00 0.00 C ATOM 608 CG HIS A 39 2.788 10.032 -3.662 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.258 10.304 -2.476 1.00 0.00 N ATOM 610 CD2 HIS A 39 2.633 11.110 -4.509 1.00 0.00 C ATOM 611 CE1 HIS A 39 1.788 11.533 -2.616 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.012 11.987 -3.796 1.00 0.00 N ATOM 0 H HIS A 39 5.450 10.052 -5.209 1.00 0.00 H new ATOM 0 HA HIS A 39 5.139 8.626 -2.571 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.397 8.577 -5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.953 7.886 -3.581 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.958 11.199 -5.535 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.281 12.084 -1.837 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.737 12.913 -4.124 1.00 0.00 H new ATOM 620 N ASN A 40 6.710 6.851 -3.471 1.00 0.00 N ATOM 621 CA ASN A 40 7.356 5.569 -3.957 1.00 0.00 C ATOM 622 C ASN A 40 6.960 4.386 -3.057 1.00 0.00 C ATOM 623 O ASN A 40 6.890 4.572 -1.864 1.00 0.00 O ATOM 624 CB ASN A 40 8.877 5.702 -3.897 1.00 0.00 C ATOM 625 CG ASN A 40 9.380 7.004 -4.417 1.00 0.00 C ATOM 626 OD1 ASN A 40 8.974 8.060 -4.000 1.00 0.00 O ATOM 627 ND2 ASN A 40 10.277 6.997 -5.338 1.00 0.00 N ATOM 0 H ASN A 40 7.144 7.270 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 40 7.019 5.392 -4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.204 5.581 -2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.328 4.892 -4.471 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.636 7.878 -5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.629 6.111 -5.700 1.00 0.00 H new ATOM 634 N VAL A 41 6.702 3.226 -3.598 1.00 0.00 N ATOM 635 CA VAL A 41 6.328 2.092 -2.685 1.00 0.00 C ATOM 636 C VAL A 41 7.180 0.833 -2.593 1.00 0.00 C ATOM 637 O VAL A 41 7.345 0.084 -3.535 1.00 0.00 O ATOM 638 CB VAL A 41 4.865 1.647 -3.007 1.00 0.00 C ATOM 639 CG1 VAL A 41 3.909 2.852 -3.014 1.00 0.00 C ATOM 640 CG2 VAL A 41 4.730 1.017 -4.407 1.00 0.00 C ATOM 0 H VAL A 41 6.730 3.011 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 41 6.493 2.554 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 41 4.616 0.923 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.898 2.513 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.920 3.331 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.230 3.567 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.693 0.727 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.032 1.742 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.369 0.136 -4.473 1.00 0.00 H new ATOM 650 N VAL A 42 7.720 0.625 -1.429 1.00 0.00 N ATOM 651 CA VAL A 42 8.551 -0.605 -1.254 1.00 0.00 C ATOM 652 C VAL A 42 7.478 -1.712 -1.145 1.00 0.00 C ATOM 653 O VAL A 42 6.307 -1.423 -0.958 1.00 0.00 O ATOM 654 CB VAL A 42 9.422 -0.502 0.062 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.463 0.597 -0.122 1.00 0.00 C ATOM 656 CG2 VAL A 42 8.618 -0.043 1.272 1.00 0.00 C ATOM 0 H VAL A 42 7.630 1.228 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 42 9.266 -0.781 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 42 9.834 -1.498 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.070 0.678 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.103 0.354 -0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.961 1.547 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.270 0.008 2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.196 0.943 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.812 -0.751 1.463 1.00 0.00 H new ATOM 666 N PHE A 43 7.866 -2.942 -1.274 1.00 0.00 N ATOM 667 CA PHE A 43 6.861 -4.044 -1.173 1.00 0.00 C ATOM 668 C PHE A 43 6.999 -4.919 0.062 1.00 0.00 C ATOM 669 O PHE A 43 8.073 -5.396 0.387 1.00 0.00 O ATOM 670 CB PHE A 43 6.944 -4.925 -2.352 1.00 0.00 C ATOM 671 CG PHE A 43 5.937 -4.519 -3.442 1.00 0.00 C ATOM 672 CD1 PHE A 43 5.660 -3.204 -3.757 1.00 0.00 C ATOM 673 CD2 PHE A 43 5.288 -5.513 -4.130 1.00 0.00 C ATOM 674 CE1 PHE A 43 4.752 -2.895 -4.741 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.381 -5.207 -5.111 1.00 0.00 C ATOM 676 CZ PHE A 43 4.106 -3.898 -5.422 1.00 0.00 C ATOM 0 H PHE A 43 8.827 -3.239 -1.444 1.00 0.00 H new ATOM 0 HA PHE A 43 5.900 -3.533 -1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.954 -4.892 -2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.756 -5.955 -2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.162 -2.410 -3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.494 -6.547 -3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.546 -1.862 -4.979 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.879 -6.001 -5.643 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.389 -3.660 -6.194 1.00 0.00 H new ATOM 686 N ASP A 44 5.898 -5.103 0.700 1.00 0.00 N ATOM 687 CA ASP A 44 5.884 -5.928 1.916 1.00 0.00 C ATOM 688 C ASP A 44 6.437 -7.375 1.992 1.00 0.00 C ATOM 689 O ASP A 44 5.820 -8.390 1.707 1.00 0.00 O ATOM 690 CB ASP A 44 4.431 -5.869 2.390 1.00 0.00 C ATOM 691 CG ASP A 44 4.296 -4.608 3.205 1.00 0.00 C ATOM 692 OD1 ASP A 44 4.747 -4.731 4.330 1.00 0.00 O ATOM 693 OD2 ASP A 44 3.788 -3.642 2.681 1.00 0.00 O ATOM 0 H ASP A 44 4.995 -4.713 0.429 1.00 0.00 H new ATOM 0 HA ASP A 44 6.661 -5.485 2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.747 -5.857 1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.182 -6.746 2.988 1.00 0.00 H new ATOM 698 N ALA A 45 7.674 -7.372 2.399 1.00 0.00 N ATOM 699 CA ALA A 45 8.446 -8.619 2.601 1.00 0.00 C ATOM 700 C ALA A 45 8.141 -8.929 4.142 1.00 0.00 C ATOM 701 O ALA A 45 8.676 -9.809 4.796 1.00 0.00 O ATOM 702 CB ALA A 45 9.916 -8.269 2.292 1.00 0.00 C ATOM 0 H ALA A 45 8.197 -6.521 2.606 1.00 0.00 H new ATOM 0 HA ALA A 45 8.208 -9.484 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.537 -9.155 2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.998 -7.919 1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.253 -7.485 2.970 1.00 0.00 H new ATOM 708 N ALA A 46 7.245 -8.124 4.669 1.00 0.00 N ATOM 709 CA ALA A 46 6.722 -8.136 6.065 1.00 0.00 C ATOM 710 C ALA A 46 5.186 -8.468 6.135 1.00 0.00 C ATOM 711 O ALA A 46 4.818 -9.503 6.655 1.00 0.00 O ATOM 712 CB ALA A 46 7.054 -6.734 6.622 1.00 0.00 C ATOM 0 H ALA A 46 6.817 -7.383 4.115 1.00 0.00 H new ATOM 0 HA ALA A 46 7.182 -8.925 6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.701 -6.658 7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.132 -6.578 6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.563 -5.975 6.013 1.00 0.00 H new ATOM 718 N LEU A 47 4.358 -7.599 5.604 1.00 0.00 N ATOM 719 CA LEU A 47 2.850 -7.779 5.605 1.00 0.00 C ATOM 720 C LEU A 47 2.181 -8.599 4.443 1.00 0.00 C ATOM 721 O LEU A 47 1.448 -8.041 3.645 1.00 0.00 O ATOM 722 CB LEU A 47 2.222 -6.344 5.637 1.00 0.00 C ATOM 723 CG LEU A 47 2.373 -5.549 6.956 1.00 0.00 C ATOM 724 CD1 LEU A 47 3.823 -5.464 7.424 1.00 0.00 C ATOM 725 CD2 LEU A 47 1.960 -4.117 6.602 1.00 0.00 C ATOM 0 H LEU A 47 4.667 -6.739 5.152 1.00 0.00 H new ATOM 0 HA LEU A 47 2.648 -8.401 6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.669 -5.759 4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.159 -6.433 5.413 1.00 0.00 H new ATOM 0 HG LEU A 47 1.786 -6.029 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.873 -4.896 8.353 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.211 -6.469 7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.423 -4.966 6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.039 -3.486 7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.616 -3.731 5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.930 -4.113 6.245 1.00 0.00 H new ATOM 737 N ASN A 48 2.435 -9.887 4.356 1.00 0.00 N ATOM 738 CA ASN A 48 1.807 -10.727 3.253 1.00 0.00 C ATOM 739 C ASN A 48 2.130 -12.269 3.240 1.00 0.00 C ATOM 740 O ASN A 48 3.190 -12.652 3.691 1.00 0.00 O ATOM 741 CB ASN A 48 2.228 -10.005 1.913 1.00 0.00 C ATOM 742 CG ASN A 48 2.816 -10.850 0.813 1.00 0.00 C ATOM 743 OD1 ASN A 48 2.226 -11.753 0.267 1.00 0.00 O ATOM 744 ND2 ASN A 48 4.013 -10.587 0.431 1.00 0.00 N ATOM 0 H ASN A 48 3.045 -10.400 4.992 1.00 0.00 H new ATOM 0 HA ASN A 48 0.730 -10.764 3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.348 -9.501 1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.953 -9.230 2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.442 -11.134 -0.315 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.535 -9.831 0.874 1.00 0.00 H new ATOM 751 N PRO A 49 1.235 -13.105 2.733 1.00 0.00 N ATOM 752 CA PRO A 49 1.512 -14.566 2.484 1.00 0.00 C ATOM 753 C PRO A 49 2.897 -14.876 1.863 1.00 0.00 C ATOM 754 O PRO A 49 3.700 -15.600 2.421 1.00 0.00 O ATOM 755 CB PRO A 49 0.293 -15.005 1.607 1.00 0.00 C ATOM 756 CG PRO A 49 -0.268 -13.661 1.088 1.00 0.00 C ATOM 757 CD PRO A 49 -0.152 -12.757 2.309 1.00 0.00 C ATOM 0 HA PRO A 49 1.592 -15.134 3.411 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.599 -15.657 0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.447 -15.552 2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.309 -13.280 0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.300 -13.756 0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.263 -11.701 2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.895 -12.986 3.073 1.00 0.00 H new ATOM 765 N ALA A 50 3.165 -14.314 0.719 1.00 0.00 N ATOM 766 CA ALA A 50 4.483 -14.563 0.060 1.00 0.00 C ATOM 767 C ALA A 50 5.309 -13.291 0.217 1.00 0.00 C ATOM 768 O ALA A 50 5.621 -12.562 -0.707 1.00 0.00 O ATOM 769 CB ALA A 50 4.300 -14.877 -1.429 1.00 0.00 C ATOM 0 H ALA A 50 2.534 -13.695 0.211 1.00 0.00 H new ATOM 0 HA ALA A 50 4.977 -15.419 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.274 -15.054 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.680 -15.767 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.816 -14.034 -1.922 1.00 0.00 H new ATOM 775 N LYS A 51 5.632 -13.064 1.447 1.00 0.00 N ATOM 776 CA LYS A 51 6.448 -11.891 1.861 1.00 0.00 C ATOM 777 C LYS A 51 7.932 -12.184 1.512 1.00 0.00 C ATOM 778 O LYS A 51 8.829 -12.097 2.327 1.00 0.00 O ATOM 779 CB LYS A 51 6.172 -11.732 3.366 1.00 0.00 C ATOM 780 CG LYS A 51 6.311 -13.110 4.109 1.00 0.00 C ATOM 781 CD LYS A 51 6.781 -12.823 5.543 1.00 0.00 C ATOM 782 CE LYS A 51 8.284 -12.587 5.483 1.00 0.00 C ATOM 783 NZ LYS A 51 8.655 -11.756 6.660 1.00 0.00 N ATOM 0 H LYS A 51 5.354 -13.667 2.221 1.00 0.00 H new ATOM 0 HA LYS A 51 6.204 -10.958 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.869 -11.011 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.169 -11.333 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.357 -13.638 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.026 -13.752 3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.270 -11.950 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.549 -13.662 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.822 -13.535 5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.556 -12.082 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.547 -12.106 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.774 -10.767 6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.903 -11.814 7.377 1.00 0.00 H new ATOM 797 N SER A 52 8.122 -12.523 0.265 1.00 0.00 N ATOM 798 CA SER A 52 9.467 -12.867 -0.310 1.00 0.00 C ATOM 799 C SER A 52 10.042 -11.937 -1.423 1.00 0.00 C ATOM 800 O SER A 52 10.337 -12.391 -2.508 1.00 0.00 O ATOM 801 CB SER A 52 9.366 -14.304 -0.841 1.00 0.00 C ATOM 802 OG SER A 52 10.713 -14.630 -1.159 1.00 0.00 O ATOM 0 H SER A 52 7.364 -12.579 -0.415 1.00 0.00 H new ATOM 0 HA SER A 52 10.180 -12.733 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.954 -14.981 -0.093 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.720 -14.365 -1.717 1.00 0.00 H new ATOM 0 HG SER A 52 11.045 -14.015 -1.847 1.00 0.00 H new ATOM 808 N ALA A 53 10.192 -10.659 -1.176 1.00 0.00 N ATOM 809 CA ALA A 53 10.749 -9.685 -2.206 1.00 0.00 C ATOM 810 C ALA A 53 11.672 -10.276 -3.324 1.00 0.00 C ATOM 811 O ALA A 53 11.517 -9.984 -4.492 1.00 0.00 O ATOM 812 CB ALA A 53 11.481 -8.588 -1.395 1.00 0.00 C ATOM 0 H ALA A 53 9.949 -10.226 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 53 9.909 -9.313 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.906 -7.853 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.774 -8.096 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.279 -9.042 -0.807 1.00 0.00 H new ATOM 818 N ASP A 54 12.631 -11.077 -2.975 1.00 0.00 N ATOM 819 CA ASP A 54 13.543 -11.690 -3.995 1.00 0.00 C ATOM 820 C ASP A 54 12.755 -12.153 -5.269 1.00 0.00 C ATOM 821 O ASP A 54 13.288 -12.130 -6.360 1.00 0.00 O ATOM 822 CB ASP A 54 14.261 -12.748 -3.111 1.00 0.00 C ATOM 823 CG ASP A 54 15.143 -11.919 -2.217 1.00 0.00 C ATOM 824 OD1 ASP A 54 14.647 -11.407 -1.231 1.00 0.00 O ATOM 825 OD2 ASP A 54 16.292 -11.755 -2.566 1.00 0.00 O ATOM 0 H ASP A 54 12.832 -11.343 -2.011 1.00 0.00 H new ATOM 0 HA ASP A 54 14.275 -11.050 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.549 -13.340 -2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.843 -13.446 -3.713 1.00 0.00 H new ATOM 830 N LEU A 55 11.515 -12.543 -5.083 1.00 0.00 N ATOM 831 CA LEU A 55 10.610 -13.001 -6.200 1.00 0.00 C ATOM 832 C LEU A 55 10.749 -12.133 -7.466 1.00 0.00 C ATOM 833 O LEU A 55 10.530 -12.560 -8.583 1.00 0.00 O ATOM 834 CB LEU A 55 9.095 -12.987 -5.659 1.00 0.00 C ATOM 835 CG LEU A 55 8.518 -11.535 -5.561 1.00 0.00 C ATOM 836 CD1 LEU A 55 7.820 -11.076 -6.869 1.00 0.00 C ATOM 837 CD2 LEU A 55 7.437 -11.407 -4.482 1.00 0.00 C ATOM 0 H LEU A 55 11.071 -12.565 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 55 10.900 -14.010 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.468 -13.582 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.057 -13.459 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 55 9.393 -10.925 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.440 -10.062 -6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.537 -11.094 -7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.992 -11.748 -7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.070 -10.381 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.612 -12.082 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.859 -11.667 -3.511 1.00 0.00 H new ATOM 849 N ALA A 56 11.105 -10.906 -7.209 1.00 0.00 N ATOM 850 CA ALA A 56 11.293 -9.900 -8.287 1.00 0.00 C ATOM 851 C ALA A 56 12.002 -8.589 -7.924 1.00 0.00 C ATOM 852 O ALA A 56 12.615 -7.991 -8.784 1.00 0.00 O ATOM 853 CB ALA A 56 9.911 -9.575 -8.830 1.00 0.00 C ATOM 0 H ALA A 56 11.278 -10.550 -6.269 1.00 0.00 H new ATOM 0 HA ALA A 56 11.972 -10.364 -9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.998 -8.837 -9.628 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.452 -10.482 -9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.291 -9.172 -8.029 1.00 0.00 H new ATOM 859 N LYS A 57 11.890 -8.207 -6.676 1.00 0.00 N ATOM 860 CA LYS A 57 12.481 -6.912 -6.107 1.00 0.00 C ATOM 861 C LYS A 57 11.745 -5.740 -6.807 1.00 0.00 C ATOM 862 O LYS A 57 11.204 -4.903 -6.123 1.00 0.00 O ATOM 863 CB LYS A 57 14.032 -6.877 -6.378 1.00 0.00 C ATOM 864 CG LYS A 57 14.822 -6.712 -5.046 1.00 0.00 C ATOM 865 CD LYS A 57 14.826 -8.073 -4.273 1.00 0.00 C ATOM 866 CE LYS A 57 15.607 -7.965 -2.954 1.00 0.00 C ATOM 867 NZ LYS A 57 15.688 -9.341 -2.404 1.00 0.00 N ATOM 0 H LYS A 57 11.390 -8.757 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 57 12.346 -6.839 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.339 -7.796 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.270 -6.054 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 57 15.844 -6.396 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.366 -5.934 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.800 -8.379 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.270 -8.847 -4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.603 -7.555 -3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.102 -7.297 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.361 -9.359 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.749 -9.636 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.010 -9.993 -3.147 1.00 0.00 H new ATOM 881 N SER A 58 11.735 -5.669 -8.109 1.00 0.00 N ATOM 882 CA SER A 58 11.022 -4.598 -8.909 1.00 0.00 C ATOM 883 C SER A 58 9.645 -4.365 -8.238 1.00 0.00 C ATOM 884 O SER A 58 9.063 -3.304 -8.309 1.00 0.00 O ATOM 885 CB SER A 58 10.846 -5.104 -10.344 1.00 0.00 C ATOM 886 OG SER A 58 12.166 -5.528 -10.687 1.00 0.00 O ATOM 0 H SER A 58 12.219 -6.348 -8.696 1.00 0.00 H new ATOM 0 HA SER A 58 11.583 -3.664 -8.935 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.129 -5.923 -10.400 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.486 -4.319 -11.010 1.00 0.00 H new ATOM 0 HG SER A 58 12.170 -5.878 -11.602 1.00 0.00 H new ATOM 892 N LEU A 59 9.178 -5.437 -7.626 1.00 0.00 N ATOM 893 CA LEU A 59 7.881 -5.480 -6.873 1.00 0.00 C ATOM 894 C LEU A 59 8.081 -4.248 -5.866 1.00 0.00 C ATOM 895 O LEU A 59 7.402 -3.249 -5.963 1.00 0.00 O ATOM 896 CB LEU A 59 7.842 -6.931 -6.306 1.00 0.00 C ATOM 897 CG LEU A 59 8.917 -7.188 -5.300 1.00 0.00 C ATOM 898 CD1 LEU A 59 8.337 -6.980 -3.954 1.00 0.00 C ATOM 899 CD2 LEU A 59 9.223 -8.571 -5.316 1.00 0.00 C ATOM 0 H LEU A 59 9.675 -6.328 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 59 6.917 -5.346 -7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.870 -7.111 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.942 -7.640 -7.128 1.00 0.00 H new ATOM 0 HG LEU A 59 9.775 -6.551 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.100 -7.161 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.976 -5.955 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.507 -7.671 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.007 -8.779 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.331 -9.144 -5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.567 -8.856 -6.310 1.00 0.00 H new ATOM 911 N SER A 60 9.010 -4.345 -4.936 1.00 0.00 N ATOM 912 CA SER A 60 9.347 -3.283 -3.934 1.00 0.00 C ATOM 913 C SER A 60 10.087 -2.076 -4.563 1.00 0.00 C ATOM 914 O SER A 60 11.285 -2.110 -4.767 1.00 0.00 O ATOM 915 CB SER A 60 10.260 -3.914 -2.810 1.00 0.00 C ATOM 916 OG SER A 60 11.232 -4.693 -3.504 1.00 0.00 O ATOM 0 H SER A 60 9.585 -5.181 -4.831 1.00 0.00 H new ATOM 0 HA SER A 60 8.408 -2.911 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.735 -3.139 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.674 -4.532 -2.129 1.00 0.00 H new ATOM 0 HG SER A 60 11.314 -4.368 -4.425 1.00 0.00 H new ATOM 922 N HIS A 61 9.361 -1.037 -4.850 1.00 0.00 N ATOM 923 CA HIS A 61 9.959 0.199 -5.456 1.00 0.00 C ATOM 924 C HIS A 61 10.404 1.161 -4.300 1.00 0.00 C ATOM 925 O HIS A 61 10.341 0.775 -3.156 1.00 0.00 O ATOM 926 CB HIS A 61 8.853 0.801 -6.373 1.00 0.00 C ATOM 927 CG HIS A 61 9.324 2.135 -6.919 1.00 0.00 C ATOM 928 ND1 HIS A 61 10.341 2.283 -7.690 1.00 0.00 N ATOM 929 CD2 HIS A 61 8.847 3.413 -6.730 1.00 0.00 C ATOM 930 CE1 HIS A 61 10.504 3.542 -7.969 1.00 0.00 C ATOM 931 NE2 HIS A 61 9.591 4.277 -7.389 1.00 0.00 N ATOM 0 H HIS A 61 8.355 -0.983 -4.690 1.00 0.00 H new ATOM 0 HA HIS A 61 10.851 0.008 -6.053 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.633 0.117 -7.193 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.929 0.932 -5.810 1.00 0.00 H new ATOM 0 HD1 HIS A 61 10.932 1.526 -8.032 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.987 3.669 -6.129 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.291 3.931 -8.598 1.00 0.00 H new ATOM 939 N LYS A 62 10.829 2.366 -4.599 1.00 0.00 N ATOM 940 CA LYS A 62 11.294 3.387 -3.565 1.00 0.00 C ATOM 941 C LYS A 62 12.326 4.409 -4.078 1.00 0.00 C ATOM 942 O LYS A 62 13.049 4.110 -5.010 1.00 0.00 O ATOM 943 CB LYS A 62 11.987 2.730 -2.337 1.00 0.00 C ATOM 944 CG LYS A 62 13.106 1.712 -2.758 1.00 0.00 C ATOM 945 CD LYS A 62 14.424 2.028 -1.970 1.00 0.00 C ATOM 946 CE LYS A 62 14.970 3.378 -2.417 1.00 0.00 C ATOM 947 NZ LYS A 62 15.392 3.196 -3.846 1.00 0.00 N ATOM 0 H LYS A 62 10.880 2.711 -5.558 1.00 0.00 H new ATOM 0 HA LYS A 62 10.357 3.882 -3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.423 3.507 -1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.240 2.216 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.781 0.692 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.287 1.777 -3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.226 2.040 -0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.163 1.247 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.211 4.155 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.812 3.684 -1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.186 3.833 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.689 2.211 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.594 3.418 -4.475 1.00 0.00 H new ATOM 961 N GLN A 63 12.355 5.544 -3.427 1.00 0.00 N ATOM 962 CA GLN A 63 13.256 6.738 -3.674 1.00 0.00 C ATOM 963 C GLN A 63 12.690 8.024 -4.349 1.00 0.00 C ATOM 964 O GLN A 63 13.055 8.382 -5.453 1.00 0.00 O ATOM 965 CB GLN A 63 14.480 6.238 -4.475 1.00 0.00 C ATOM 966 CG GLN A 63 15.723 7.163 -4.400 1.00 0.00 C ATOM 967 CD GLN A 63 16.916 6.336 -4.863 1.00 0.00 C ATOM 968 OE1 GLN A 63 17.125 5.223 -4.420 1.00 0.00 O ATOM 969 NE2 GLN A 63 17.731 6.794 -5.740 1.00 0.00 N ATOM 0 H GLN A 63 11.720 5.712 -2.646 1.00 0.00 H new ATOM 0 HA GLN A 63 13.467 7.103 -2.669 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.757 5.249 -4.110 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.192 6.123 -5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.591 8.040 -5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.875 7.525 -3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.587 7.724 -6.134 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.524 6.229 -6.044 1.00 0.00 H new ATOM 978 N LEU A 64 11.801 8.675 -3.662 1.00 0.00 N ATOM 979 CA LEU A 64 11.149 9.950 -4.140 1.00 0.00 C ATOM 980 C LEU A 64 10.761 10.138 -5.661 1.00 0.00 C ATOM 981 O LEU A 64 11.464 10.717 -6.468 1.00 0.00 O ATOM 982 CB LEU A 64 12.112 11.094 -3.662 1.00 0.00 C ATOM 983 CG LEU A 64 12.033 11.384 -2.134 1.00 0.00 C ATOM 984 CD1 LEU A 64 12.420 10.174 -1.275 1.00 0.00 C ATOM 985 CD2 LEU A 64 13.042 12.488 -1.812 1.00 0.00 C ATOM 0 H LEU A 64 11.476 8.371 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 64 10.146 9.946 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.137 10.825 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.876 12.007 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 64 11.002 11.656 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 64 12.345 10.438 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.746 9.345 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 64 13.444 9.878 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.008 12.712 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.044 12.155 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.793 13.385 -2.379 1.00 0.00 H new ATOM 997 N LEU A 65 9.609 9.640 -6.030 1.00 0.00 N ATOM 998 CA LEU A 65 9.115 9.750 -7.446 1.00 0.00 C ATOM 999 C LEU A 65 8.717 11.205 -7.808 1.00 0.00 C ATOM 1000 O LEU A 65 7.562 11.588 -7.762 1.00 0.00 O ATOM 1001 CB LEU A 65 7.867 8.816 -7.655 1.00 0.00 C ATOM 1002 CG LEU A 65 8.204 7.326 -7.790 1.00 0.00 C ATOM 1003 CD1 LEU A 65 6.895 6.567 -7.992 1.00 0.00 C ATOM 1004 CD2 LEU A 65 9.041 7.092 -9.052 1.00 0.00 C ATOM 0 H LEU A 65 8.973 9.151 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 65 9.933 9.443 -8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.186 8.947 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.334 9.138 -8.550 1.00 0.00 H new ATOM 0 HG LEU A 65 8.746 6.997 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.104 5.502 -8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.243 6.731 -7.134 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.402 6.926 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.276 6.031 -9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.477 7.413 -9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.966 7.665 -8.986 1.00 0.00 H new ATOM 1016 N MET A 66 9.690 11.997 -8.154 1.00 0.00 N ATOM 1017 CA MET A 66 9.435 13.436 -8.536 1.00 0.00 C ATOM 1018 C MET A 66 8.909 13.540 -10.000 1.00 0.00 C ATOM 1019 O MET A 66 9.454 14.118 -10.914 1.00 0.00 O ATOM 1020 CB MET A 66 10.732 14.171 -8.389 1.00 0.00 C ATOM 1021 CG MET A 66 11.253 14.072 -6.936 1.00 0.00 C ATOM 1022 SD MET A 66 10.144 14.655 -5.631 1.00 0.00 S ATOM 1023 CE MET A 66 10.740 16.361 -5.538 1.00 0.00 C ATOM 0 H MET A 66 10.670 11.716 -8.193 1.00 0.00 H new ATOM 0 HA MET A 66 8.670 13.869 -7.891 1.00 0.00 H new ATOM 0 HB2 MET A 66 11.471 13.756 -9.075 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.596 15.218 -8.662 1.00 0.00 H new ATOM 0 HG2 MET A 66 11.498 13.029 -6.733 1.00 0.00 H new ATOM 0 HG3 MET A 66 12.183 14.637 -6.869 1.00 0.00 H new ATOM 0 HE1 MET A 66 10.176 16.902 -4.778 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.798 16.363 -5.275 1.00 0.00 H new ATOM 0 HE3 MET A 66 10.605 16.847 -6.505 1.00 0.00 H new ATOM 1033 N SER A 67 7.789 12.924 -10.119 1.00 0.00 N ATOM 1034 CA SER A 67 6.974 12.798 -11.378 1.00 0.00 C ATOM 1035 C SER A 67 5.625 13.562 -11.323 1.00 0.00 C ATOM 1036 O SER A 67 4.586 12.935 -11.345 1.00 0.00 O ATOM 1037 CB SER A 67 6.728 11.289 -11.610 1.00 0.00 C ATOM 1038 OG SER A 67 8.023 10.733 -11.846 1.00 0.00 O ATOM 0 H SER A 67 7.351 12.453 -9.327 1.00 0.00 H new ATOM 0 HA SER A 67 7.528 13.253 -12.199 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.253 10.829 -10.743 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.067 11.123 -12.461 1.00 0.00 H new ATOM 0 HG SER A 67 7.942 9.769 -12.001 1.00 0.00 H new ATOM 1044 N PRO A 68 5.645 14.876 -11.254 1.00 0.00 N ATOM 1045 CA PRO A 68 4.392 15.712 -11.142 1.00 0.00 C ATOM 1046 C PRO A 68 3.305 15.407 -12.221 1.00 0.00 C ATOM 1047 O PRO A 68 3.196 16.096 -13.216 1.00 0.00 O ATOM 1048 CB PRO A 68 4.956 17.159 -11.175 1.00 0.00 C ATOM 1049 CG PRO A 68 6.288 16.988 -11.950 1.00 0.00 C ATOM 1050 CD PRO A 68 6.871 15.728 -11.310 1.00 0.00 C ATOM 0 HA PRO A 68 3.821 15.502 -10.238 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.278 17.846 -11.681 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.119 17.553 -10.172 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.124 16.863 -13.020 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.945 17.849 -11.827 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.662 15.282 -11.913 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.292 15.918 -10.323 1.00 0.00 H new ATOM 1058 N GLY A 69 2.529 14.377 -11.997 1.00 0.00 N ATOM 1059 CA GLY A 69 1.439 13.970 -12.968 1.00 0.00 C ATOM 1060 C GLY A 69 1.731 12.658 -13.702 1.00 0.00 C ATOM 1061 O GLY A 69 1.001 12.271 -14.588 1.00 0.00 O ATOM 0 H GLY A 69 2.598 13.784 -11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.499 13.872 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.302 14.764 -13.702 1.00 0.00 H new ATOM 1065 N GLN A 70 2.786 11.998 -13.314 1.00 0.00 N ATOM 1066 CA GLN A 70 3.182 10.697 -13.958 1.00 0.00 C ATOM 1067 C GLN A 70 3.326 9.471 -13.008 1.00 0.00 C ATOM 1068 O GLN A 70 3.551 9.550 -11.808 1.00 0.00 O ATOM 1069 CB GLN A 70 4.500 11.022 -14.726 1.00 0.00 C ATOM 1070 CG GLN A 70 5.203 9.722 -15.275 1.00 0.00 C ATOM 1071 CD GLN A 70 6.516 10.064 -15.953 1.00 0.00 C ATOM 1072 OE1 GLN A 70 6.578 10.733 -16.953 1.00 0.00 O ATOM 1073 NE2 GLN A 70 7.624 9.639 -15.468 1.00 0.00 N ATOM 0 H GLN A 70 3.407 12.304 -12.565 1.00 0.00 H new ATOM 0 HA GLN A 70 2.377 10.356 -14.609 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.279 11.692 -15.557 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.184 11.551 -14.063 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.382 9.027 -14.455 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.544 9.218 -15.982 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.625 9.069 -14.622 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.504 9.871 -15.928 1.00 0.00 H new ATOM 1082 N SER A 71 3.191 8.342 -13.638 1.00 0.00 N ATOM 1083 CA SER A 71 3.280 7.017 -12.929 1.00 0.00 C ATOM 1084 C SER A 71 4.398 6.035 -13.294 1.00 0.00 C ATOM 1085 O SER A 71 4.967 6.063 -14.365 1.00 0.00 O ATOM 1086 CB SER A 71 1.976 6.269 -13.137 1.00 0.00 C ATOM 1087 OG SER A 71 1.007 7.270 -12.877 1.00 0.00 O ATOM 0 H SER A 71 3.018 8.270 -14.641 1.00 0.00 H new ATOM 0 HA SER A 71 3.508 7.323 -11.908 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.891 5.874 -14.149 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.880 5.423 -12.456 1.00 0.00 H new ATOM 0 HG SER A 71 0.123 6.948 -13.151 1.00 0.00 H new ATOM 1093 N THR A 72 4.685 5.188 -12.348 1.00 0.00 N ATOM 1094 CA THR A 72 5.748 4.120 -12.539 1.00 0.00 C ATOM 1095 C THR A 72 5.040 2.752 -12.464 1.00 0.00 C ATOM 1096 O THR A 72 4.083 2.674 -11.719 1.00 0.00 O ATOM 1097 CB THR A 72 6.815 4.182 -11.424 1.00 0.00 C ATOM 1098 OG1 THR A 72 7.687 3.140 -11.817 1.00 0.00 O ATOM 1099 CG2 THR A 72 6.364 3.686 -10.061 1.00 0.00 C ATOM 0 H THR A 72 4.232 5.177 -11.434 1.00 0.00 H new ATOM 0 HA THR A 72 6.248 4.273 -13.496 1.00 0.00 H new ATOM 0 HB THR A 72 7.161 5.211 -11.328 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.427 3.074 -11.178 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.187 3.772 -9.352 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.523 4.287 -9.715 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.058 2.643 -10.136 1.00 0.00 H new ATOM 1107 N SER A 73 5.470 1.731 -13.158 1.00 0.00 N ATOM 1108 CA SER A 73 4.751 0.383 -13.080 1.00 0.00 C ATOM 1109 C SER A 73 5.473 -0.790 -12.405 1.00 0.00 C ATOM 1110 O SER A 73 6.669 -0.965 -12.527 1.00 0.00 O ATOM 1111 CB SER A 73 4.376 -0.125 -14.492 1.00 0.00 C ATOM 1112 OG SER A 73 3.148 0.520 -14.811 1.00 0.00 O ATOM 0 H SER A 73 6.281 1.752 -13.777 1.00 0.00 H new ATOM 0 HA SER A 73 3.904 0.640 -12.444 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.151 0.123 -15.218 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.265 -1.209 -14.503 1.00 0.00 H new ATOM 0 HG SER A 73 2.422 -0.138 -14.807 1.00 0.00 H new ATOM 1118 N THR A 74 4.692 -1.578 -11.724 1.00 0.00 N ATOM 1119 CA THR A 74 5.227 -2.790 -10.991 1.00 0.00 C ATOM 1120 C THR A 74 4.613 -4.120 -11.469 1.00 0.00 C ATOM 1121 O THR A 74 3.502 -4.462 -11.128 1.00 0.00 O ATOM 1122 CB THR A 74 4.964 -2.615 -9.482 1.00 0.00 C ATOM 1123 OG1 THR A 74 5.808 -1.535 -9.116 1.00 0.00 O ATOM 1124 CG2 THR A 74 5.574 -3.720 -8.655 1.00 0.00 C ATOM 0 H THR A 74 3.685 -1.443 -11.634 1.00 0.00 H new ATOM 0 HA THR A 74 6.294 -2.849 -11.204 1.00 0.00 H new ATOM 0 HB THR A 74 3.888 -2.537 -9.323 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.085 -1.638 -8.182 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.358 -3.547 -7.601 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.152 -4.678 -8.959 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.653 -3.735 -8.807 1.00 0.00 H new ATOM 1132 N THR A 75 5.357 -4.848 -12.257 1.00 0.00 N ATOM 1133 CA THR A 75 4.859 -6.184 -12.796 1.00 0.00 C ATOM 1134 C THR A 75 5.296 -7.394 -11.964 1.00 0.00 C ATOM 1135 O THR A 75 6.330 -7.394 -11.320 1.00 0.00 O ATOM 1136 CB THR A 75 5.386 -6.448 -14.228 1.00 0.00 C ATOM 1137 OG1 THR A 75 4.831 -5.448 -15.053 1.00 0.00 O ATOM 1138 CG2 THR A 75 4.750 -7.656 -14.897 1.00 0.00 C ATOM 0 H THR A 75 6.295 -4.589 -12.562 1.00 0.00 H new ATOM 0 HA THR A 75 3.774 -6.089 -12.764 1.00 0.00 H new ATOM 0 HB THR A 75 6.469 -6.528 -14.134 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.140 -5.575 -15.974 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.167 -7.780 -15.896 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.954 -8.549 -14.306 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.673 -7.507 -14.969 1.00 0.00 H new ATOM 1146 N PHE A 76 4.480 -8.403 -12.030 1.00 0.00 N ATOM 1147 CA PHE A 76 4.730 -9.687 -11.289 1.00 0.00 C ATOM 1148 C PHE A 76 5.140 -10.828 -12.267 1.00 0.00 C ATOM 1149 O PHE A 76 5.022 -10.685 -13.467 1.00 0.00 O ATOM 1150 CB PHE A 76 3.419 -10.025 -10.545 1.00 0.00 C ATOM 1151 CG PHE A 76 3.111 -8.922 -9.533 1.00 0.00 C ATOM 1152 CD1 PHE A 76 3.607 -8.979 -8.249 1.00 0.00 C ATOM 1153 CD2 PHE A 76 2.334 -7.846 -9.903 1.00 0.00 C ATOM 1154 CE1 PHE A 76 3.330 -7.975 -7.347 1.00 0.00 C ATOM 1155 CE2 PHE A 76 2.056 -6.842 -9.008 1.00 0.00 C ATOM 1156 CZ PHE A 76 2.552 -6.903 -7.727 1.00 0.00 C ATOM 0 H PHE A 76 3.622 -8.400 -12.581 1.00 0.00 H new ATOM 0 HA PHE A 76 5.556 -9.580 -10.586 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.599 -10.121 -11.256 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.513 -10.984 -10.036 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.218 -9.817 -7.947 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.940 -7.792 -10.907 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.723 -8.028 -6.342 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.447 -6.003 -9.311 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.333 -6.115 -7.022 1.00 0.00 H new ATOM 1166 N PRO A 77 5.613 -11.935 -11.747 1.00 0.00 N ATOM 1167 CA PRO A 77 5.639 -13.206 -12.534 1.00 0.00 C ATOM 1168 C PRO A 77 4.205 -13.793 -12.701 1.00 0.00 C ATOM 1169 O PRO A 77 3.232 -13.188 -12.289 1.00 0.00 O ATOM 1170 CB PRO A 77 6.607 -14.067 -11.711 1.00 0.00 C ATOM 1171 CG PRO A 77 6.242 -13.633 -10.262 1.00 0.00 C ATOM 1172 CD PRO A 77 6.179 -12.098 -10.376 1.00 0.00 C ATOM 0 HA PRO A 77 5.971 -13.111 -13.568 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.449 -15.133 -11.873 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.649 -13.859 -11.952 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.290 -14.055 -9.940 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.993 -13.955 -9.541 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.541 -11.654 -9.612 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.162 -11.637 -10.279 1.00 0.00 H new ATOM 1180 N ALA A 78 4.115 -14.955 -13.279 1.00 0.00 N ATOM 1181 CA ALA A 78 2.781 -15.625 -13.496 1.00 0.00 C ATOM 1182 C ALA A 78 2.569 -16.622 -12.319 1.00 0.00 C ATOM 1183 O ALA A 78 1.486 -17.054 -11.972 1.00 0.00 O ATOM 1184 CB ALA A 78 2.869 -16.325 -14.868 1.00 0.00 C ATOM 0 H ALA A 78 4.916 -15.487 -13.620 1.00 0.00 H new ATOM 0 HA ALA A 78 1.933 -14.940 -13.507 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.927 -16.830 -15.080 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.066 -15.584 -15.643 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.677 -17.057 -14.852 1.00 0.00 H new ATOM 1190 N ASP A 79 3.691 -16.913 -11.744 1.00 0.00 N ATOM 1191 CA ASP A 79 3.925 -17.820 -10.594 1.00 0.00 C ATOM 1192 C ASP A 79 3.550 -17.069 -9.260 1.00 0.00 C ATOM 1193 O ASP A 79 4.203 -17.122 -8.234 1.00 0.00 O ATOM 1194 CB ASP A 79 5.445 -18.195 -10.773 1.00 0.00 C ATOM 1195 CG ASP A 79 5.879 -18.316 -12.240 1.00 0.00 C ATOM 1196 OD1 ASP A 79 6.037 -17.268 -12.855 1.00 0.00 O ATOM 1197 OD2 ASP A 79 6.018 -19.444 -12.654 1.00 0.00 O ATOM 0 H ASP A 79 4.564 -16.501 -12.073 1.00 0.00 H new ATOM 0 HA ASP A 79 3.319 -18.725 -10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.057 -17.438 -10.283 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.640 -19.140 -10.266 1.00 0.00 H new ATOM 1202 N ALA A 80 2.448 -16.380 -9.341 1.00 0.00 N ATOM 1203 CA ALA A 80 1.891 -15.574 -8.205 1.00 0.00 C ATOM 1204 C ALA A 80 0.524 -16.110 -7.662 1.00 0.00 C ATOM 1205 O ALA A 80 -0.524 -15.652 -8.072 1.00 0.00 O ATOM 1206 CB ALA A 80 1.802 -14.134 -8.757 1.00 0.00 C ATOM 0 H ALA A 80 1.880 -16.338 -10.187 1.00 0.00 H new ATOM 0 HA ALA A 80 2.532 -15.634 -7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.402 -13.473 -7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.796 -13.793 -9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.145 -14.118 -9.626 1.00 0.00 H new ATOM 1212 N PRO A 81 0.570 -17.071 -6.768 1.00 0.00 N ATOM 1213 CA PRO A 81 -0.651 -17.573 -6.049 1.00 0.00 C ATOM 1214 C PRO A 81 -1.077 -16.633 -4.874 1.00 0.00 C ATOM 1215 O PRO A 81 -0.410 -15.641 -4.630 1.00 0.00 O ATOM 1216 CB PRO A 81 -0.206 -18.958 -5.609 1.00 0.00 C ATOM 1217 CG PRO A 81 1.257 -18.625 -5.164 1.00 0.00 C ATOM 1218 CD PRO A 81 1.804 -17.798 -6.344 1.00 0.00 C ATOM 0 HA PRO A 81 -1.554 -17.599 -6.659 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.812 -19.355 -4.795 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.243 -19.687 -6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.276 -18.059 -4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.844 -19.529 -5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.600 -17.119 -6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.207 -18.426 -7.138 1.00 0.00 H new ATOM 1226 N ALA A 82 -2.157 -16.996 -4.215 1.00 0.00 N ATOM 1227 CA ALA A 82 -2.758 -16.253 -3.038 1.00 0.00 C ATOM 1228 C ALA A 82 -1.782 -15.223 -2.397 1.00 0.00 C ATOM 1229 O ALA A 82 -1.186 -15.447 -1.359 1.00 0.00 O ATOM 1230 CB ALA A 82 -3.211 -17.360 -2.050 1.00 0.00 C ATOM 0 H ALA A 82 -2.684 -17.834 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.597 -15.631 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.658 -16.900 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.945 -18.003 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.349 -17.956 -1.751 1.00 0.00 H new ATOM 1236 N GLY A 83 -1.653 -14.107 -3.053 1.00 0.00 N ATOM 1237 CA GLY A 83 -0.724 -13.031 -2.552 1.00 0.00 C ATOM 1238 C GLY A 83 -1.207 -11.620 -2.289 1.00 0.00 C ATOM 1239 O GLY A 83 -1.751 -10.973 -3.156 1.00 0.00 O ATOM 0 H GLY A 83 -2.147 -13.883 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.292 -13.396 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.090 -12.957 -3.273 1.00 0.00 H new ATOM 1243 N GLU A 84 -0.975 -11.161 -1.096 1.00 0.00 N ATOM 1244 CA GLU A 84 -1.394 -9.777 -0.697 1.00 0.00 C ATOM 1245 C GLU A 84 -0.137 -8.879 -0.805 1.00 0.00 C ATOM 1246 O GLU A 84 0.329 -8.303 0.152 1.00 0.00 O ATOM 1247 CB GLU A 84 -1.907 -9.829 0.739 1.00 0.00 C ATOM 1248 CG GLU A 84 -3.051 -10.888 0.883 1.00 0.00 C ATOM 1249 CD GLU A 84 -3.541 -10.934 2.316 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -2.742 -11.331 3.128 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -4.685 -10.550 2.467 1.00 0.00 O ATOM 0 H GLU A 84 -0.505 -11.690 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.186 -9.381 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.088 -10.078 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.276 -8.847 1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.876 -10.636 0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.687 -11.871 0.583 1.00 0.00 H new ATOM 1258 N TYR A 85 0.396 -8.778 -1.986 1.00 0.00 N ATOM 1259 CA TYR A 85 1.629 -7.944 -2.217 1.00 0.00 C ATOM 1260 C TYR A 85 1.409 -6.422 -1.900 1.00 0.00 C ATOM 1261 O TYR A 85 1.224 -5.586 -2.765 1.00 0.00 O ATOM 1262 CB TYR A 85 2.049 -8.210 -3.705 1.00 0.00 C ATOM 1263 CG TYR A 85 1.990 -9.719 -4.079 1.00 0.00 C ATOM 1264 CD1 TYR A 85 2.275 -10.726 -3.168 1.00 0.00 C ATOM 1265 CD2 TYR A 85 1.644 -10.094 -5.362 1.00 0.00 C ATOM 1266 CE1 TYR A 85 2.211 -12.061 -3.544 1.00 0.00 C ATOM 1267 CE2 TYR A 85 1.583 -11.433 -5.723 1.00 0.00 C ATOM 1268 CZ TYR A 85 1.865 -12.424 -4.824 1.00 0.00 C ATOM 1269 OH TYR A 85 1.798 -13.748 -5.210 1.00 0.00 O ATOM 0 H TYR A 85 0.033 -9.240 -2.820 1.00 0.00 H new ATOM 0 HA TYR A 85 2.427 -8.228 -1.532 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.394 -7.648 -4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.061 -7.838 -3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.550 -10.469 -2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.417 -9.334 -6.096 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.437 -12.828 -2.818 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.308 -11.697 -6.733 1.00 0.00 H new ATOM 0 HH TYR A 85 0.954 -14.137 -4.899 1.00 0.00 H new ATOM 1279 N THR A 86 1.425 -6.135 -0.629 1.00 0.00 N ATOM 1280 CA THR A 86 1.237 -4.739 -0.086 1.00 0.00 C ATOM 1281 C THR A 86 2.322 -3.721 -0.484 1.00 0.00 C ATOM 1282 O THR A 86 3.505 -4.004 -0.460 1.00 0.00 O ATOM 1283 CB THR A 86 1.154 -4.820 1.467 1.00 0.00 C ATOM 1284 OG1 THR A 86 0.099 -5.737 1.716 1.00 0.00 O ATOM 1285 CG2 THR A 86 0.546 -3.603 2.111 1.00 0.00 C ATOM 0 H THR A 86 1.567 -6.838 0.097 1.00 0.00 H new ATOM 0 HA THR A 86 0.317 -4.365 -0.535 1.00 0.00 H new ATOM 0 HB THR A 86 2.162 -5.018 1.830 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.425 -6.462 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.524 -3.737 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.144 -2.725 1.866 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.470 -3.465 1.741 1.00 0.00 H new ATOM 1293 N PHE A 87 1.867 -2.551 -0.852 1.00 0.00 N ATOM 1294 CA PHE A 87 2.755 -1.431 -1.267 1.00 0.00 C ATOM 1295 C PHE A 87 2.731 -0.156 -0.379 1.00 0.00 C ATOM 1296 O PHE A 87 1.714 0.356 0.048 1.00 0.00 O ATOM 1297 CB PHE A 87 2.448 -1.015 -2.725 1.00 0.00 C ATOM 1298 CG PHE A 87 1.010 -1.106 -3.139 1.00 0.00 C ATOM 1299 CD1 PHE A 87 0.446 -2.329 -3.363 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.275 0.028 -3.308 1.00 0.00 C ATOM 1301 CE1 PHE A 87 -0.857 -2.417 -3.758 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -1.029 -0.045 -3.701 1.00 0.00 C ATOM 1303 CZ PHE A 87 -1.611 -1.275 -3.931 1.00 0.00 C ATOM 0 H PHE A 87 0.874 -2.321 -0.882 1.00 0.00 H new ATOM 0 HA PHE A 87 3.756 -1.847 -1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.784 0.012 -2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.040 -1.640 -3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.031 -3.227 -3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.728 0.992 -3.130 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.300 -3.386 -3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.605 0.859 -3.832 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.643 -1.343 -4.242 1.00 0.00 H new ATOM 1313 N TYR A 88 3.932 0.282 -0.178 1.00 0.00 N ATOM 1314 CA TYR A 88 4.388 1.475 0.628 1.00 0.00 C ATOM 1315 C TYR A 88 4.520 2.993 0.288 1.00 0.00 C ATOM 1316 O TYR A 88 5.641 3.327 0.000 1.00 0.00 O ATOM 1317 CB TYR A 88 5.737 1.007 1.135 1.00 0.00 C ATOM 1318 CG TYR A 88 5.647 0.471 2.484 1.00 0.00 C ATOM 1319 CD1 TYR A 88 4.830 -0.569 2.757 1.00 0.00 C ATOM 1320 CD2 TYR A 88 6.404 1.056 3.439 1.00 0.00 C ATOM 1321 CE1 TYR A 88 4.771 -1.036 4.020 1.00 0.00 C ATOM 1322 CE2 TYR A 88 6.352 0.595 4.705 1.00 0.00 C ATOM 1323 CZ TYR A 88 5.527 -0.466 5.019 1.00 0.00 C ATOM 1324 OH TYR A 88 5.446 -0.945 6.305 1.00 0.00 O ATOM 0 H TYR A 88 4.728 -0.201 -0.594 1.00 0.00 H new ATOM 0 HA TYR A 88 3.473 1.647 1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 88 6.133 0.243 0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 88 6.440 1.840 1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.234 -1.019 1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.046 1.887 3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 88 4.122 -1.868 4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.956 1.056 5.473 1.00 0.00 H new ATOM 0 HH TYR A 88 6.110 -1.654 6.432 1.00 0.00 H new ATOM 1334 N CYS A 89 3.618 3.941 0.280 1.00 0.00 N ATOM 1335 CA CYS A 89 4.145 5.322 -0.105 1.00 0.00 C ATOM 1336 C CYS A 89 5.212 5.924 0.913 1.00 0.00 C ATOM 1337 O CYS A 89 4.908 6.716 1.782 1.00 0.00 O ATOM 1338 CB CYS A 89 2.957 6.229 -0.225 1.00 0.00 C ATOM 1339 SG CYS A 89 3.364 7.702 -1.182 1.00 0.00 S ATOM 0 H CYS A 89 2.625 3.856 0.498 1.00 0.00 H new ATOM 0 HA CYS A 89 4.687 5.231 -1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 89 2.135 5.696 -0.703 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.615 6.519 0.768 1.00 0.00 H new ATOM 0 HG CYS A 89 2.297 8.429 -1.334 1.00 0.00 H new ATOM 1344 N GLU A 90 6.437 5.502 0.747 1.00 0.00 N ATOM 1345 CA GLU A 90 7.668 5.867 1.541 1.00 0.00 C ATOM 1346 C GLU A 90 7.654 7.196 2.380 1.00 0.00 C ATOM 1347 O GLU A 90 7.563 7.103 3.590 1.00 0.00 O ATOM 1348 CB GLU A 90 8.755 5.701 0.397 1.00 0.00 C ATOM 1349 CG GLU A 90 10.227 6.252 0.657 1.00 0.00 C ATOM 1350 CD GLU A 90 11.085 6.244 -0.623 1.00 0.00 C ATOM 1351 OE1 GLU A 90 10.749 6.963 -1.545 1.00 0.00 O ATOM 1352 OE2 GLU A 90 12.066 5.528 -0.681 1.00 0.00 O ATOM 0 H GLU A 90 6.660 4.840 0.004 1.00 0.00 H new ATOM 0 HA GLU A 90 7.840 5.250 2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.835 4.638 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.371 6.191 -0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.169 7.268 1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.711 5.644 1.421 1.00 0.00 H new ATOM 1359 N PRO A 91 7.716 8.375 1.801 1.00 0.00 N ATOM 1360 CA PRO A 91 7.629 9.665 2.582 1.00 0.00 C ATOM 1361 C PRO A 91 6.248 9.949 3.255 1.00 0.00 C ATOM 1362 O PRO A 91 6.060 10.921 3.958 1.00 0.00 O ATOM 1363 CB PRO A 91 8.035 10.705 1.529 1.00 0.00 C ATOM 1364 CG PRO A 91 7.435 10.081 0.238 1.00 0.00 C ATOM 1365 CD PRO A 91 7.873 8.612 0.337 1.00 0.00 C ATOM 0 HA PRO A 91 8.270 9.659 3.463 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.619 11.690 1.742 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.117 10.824 1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.350 10.179 0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 91 7.823 10.559 -0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.243 7.951 -0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.899 8.463 0.001 1.00 0.00 H new ATOM 1373 N HIS A 92 5.313 9.080 3.009 1.00 0.00 N ATOM 1374 CA HIS A 92 3.911 9.178 3.562 1.00 0.00 C ATOM 1375 C HIS A 92 3.494 7.942 4.432 1.00 0.00 C ATOM 1376 O HIS A 92 2.499 7.968 5.132 1.00 0.00 O ATOM 1377 CB HIS A 92 2.982 9.366 2.321 1.00 0.00 C ATOM 1378 CG HIS A 92 3.475 10.541 1.456 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.396 10.526 0.132 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.047 11.732 1.868 1.00 0.00 C ATOM 1381 CE1 HIS A 92 3.910 11.678 -0.250 1.00 0.00 C ATOM 1382 NE2 HIS A 92 4.284 12.369 0.765 1.00 0.00 N ATOM 0 H HIS A 92 5.460 8.261 2.419 1.00 0.00 H new ATOM 0 HA HIS A 92 3.834 10.016 4.255 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.966 8.451 1.728 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.959 9.551 2.649 1.00 0.00 H new ATOM 0 HD1 HIS A 92 3.020 9.786 -0.460 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.250 12.056 2.878 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.004 11.997 -1.277 1.00 0.00 H new ATOM 1390 N ARG A 93 4.264 6.892 4.332 1.00 0.00 N ATOM 1391 CA ARG A 93 4.079 5.582 5.070 1.00 0.00 C ATOM 1392 C ARG A 93 3.296 5.645 6.431 1.00 0.00 C ATOM 1393 O ARG A 93 3.872 5.633 7.502 1.00 0.00 O ATOM 1394 CB ARG A 93 5.525 5.022 5.224 1.00 0.00 C ATOM 1395 CG ARG A 93 5.593 3.492 5.571 1.00 0.00 C ATOM 1396 CD ARG A 93 5.024 3.177 6.951 1.00 0.00 C ATOM 1397 NE ARG A 93 5.502 1.783 7.328 1.00 0.00 N ATOM 1398 CZ ARG A 93 6.268 1.522 8.307 1.00 0.00 C ATOM 1399 NH1 ARG A 93 6.543 2.391 9.168 1.00 0.00 N ATOM 1400 NH2 ARG A 93 6.729 0.359 8.351 1.00 0.00 N ATOM 0 H ARG A 93 5.081 6.882 3.721 1.00 0.00 H new ATOM 0 HA ARG A 93 3.419 4.930 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.070 5.197 4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.038 5.583 6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.043 2.928 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.630 3.159 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.362 3.911 7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.935 3.219 6.937 1.00 0.00 H new ATOM 0 HE ARG A 93 5.185 1.002 6.754 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.149 3.329 9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.160 2.160 9.946 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.483 -0.315 7.626 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.351 0.085 9.112 1.00 0.00 H new ATOM 1414 N GLY A 94 1.997 5.699 6.355 1.00 0.00 N ATOM 1415 CA GLY A 94 1.131 5.766 7.604 1.00 0.00 C ATOM 1416 C GLY A 94 -0.095 6.651 7.421 1.00 0.00 C ATOM 1417 O GLY A 94 -1.150 6.379 7.951 1.00 0.00 O ATOM 0 H GLY A 94 1.476 5.700 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.811 4.760 7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.727 6.144 8.435 1.00 0.00 H new ATOM 1421 N ALA A 95 0.055 7.686 6.654 1.00 0.00 N ATOM 1422 CA ALA A 95 -1.080 8.631 6.396 1.00 0.00 C ATOM 1423 C ALA A 95 -1.961 7.993 5.282 1.00 0.00 C ATOM 1424 O ALA A 95 -2.036 8.454 4.167 1.00 0.00 O ATOM 1425 CB ALA A 95 -0.428 9.969 5.982 1.00 0.00 C ATOM 0 H ALA A 95 0.926 7.929 6.183 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.728 8.815 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.206 10.705 5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.210 10.328 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.173 9.819 5.085 1.00 0.00 H new ATOM 1431 N GLY A 96 -2.597 6.914 5.658 1.00 0.00 N ATOM 1432 CA GLY A 96 -3.518 6.101 4.752 1.00 0.00 C ATOM 1433 C GLY A 96 -3.072 5.931 3.286 1.00 0.00 C ATOM 1434 O GLY A 96 -3.871 5.726 2.394 1.00 0.00 O ATOM 0 H GLY A 96 -2.522 6.532 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.637 5.109 5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.501 6.571 4.756 1.00 0.00 H new ATOM 1438 N MET A 97 -1.787 5.998 3.089 1.00 0.00 N ATOM 1439 CA MET A 97 -1.187 5.857 1.719 1.00 0.00 C ATOM 1440 C MET A 97 -0.426 4.503 1.521 1.00 0.00 C ATOM 1441 O MET A 97 0.675 4.399 1.010 1.00 0.00 O ATOM 1442 CB MET A 97 -0.315 7.138 1.593 1.00 0.00 C ATOM 1443 CG MET A 97 -0.075 7.476 0.126 1.00 0.00 C ATOM 1444 SD MET A 97 0.574 9.128 -0.232 1.00 0.00 S ATOM 1445 CE MET A 97 -0.791 9.668 -1.282 1.00 0.00 C ATOM 0 H MET A 97 -1.105 6.148 3.833 1.00 0.00 H new ATOM 0 HA MET A 97 -1.923 5.797 0.918 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.810 7.973 2.089 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.639 6.987 2.099 1.00 0.00 H new ATOM 0 HG2 MET A 97 0.619 6.742 -0.283 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.017 7.357 -0.409 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.403 9.977 -2.253 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.493 8.846 -1.417 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.302 10.508 -0.811 1.00 0.00 H new ATOM 1455 N VAL A 98 -1.089 3.490 2.000 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.630 2.068 1.948 1.00 0.00 C ATOM 1457 C VAL A 98 -1.632 1.189 1.141 1.00 0.00 C ATOM 1458 O VAL A 98 -2.825 1.320 1.343 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.512 1.592 3.416 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.645 2.326 4.120 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.790 1.906 4.224 1.00 0.00 C ATOM 0 H VAL A 98 -1.994 3.598 2.458 1.00 0.00 H new ATOM 0 HA VAL A 98 0.329 1.981 1.437 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.345 0.515 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.719 1.983 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.580 2.115 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.456 3.399 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.667 1.556 5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.964 2.982 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.642 1.402 3.768 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.186 0.332 0.255 1.00 0.00 N ATOM 1472 CA GLY A 99 -2.184 -0.532 -0.528 1.00 0.00 C ATOM 1473 C GLY A 99 -1.897 -2.029 -0.459 1.00 0.00 C ATOM 1474 O GLY A 99 -0.768 -2.394 -0.263 1.00 0.00 O ATOM 0 H GLY A 99 -0.203 0.180 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.188 -0.347 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.179 -0.219 -1.572 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.874 -2.877 -0.633 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.632 -4.373 -0.564 1.00 0.00 C ATOM 1480 C LYS A 100 -2.948 -5.158 -1.872 1.00 0.00 C ATOM 1481 O LYS A 100 -4.014 -5.744 -2.002 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.480 -4.909 0.632 1.00 0.00 C ATOM 1483 CG LYS A 100 -3.042 -6.383 0.933 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.892 -6.986 2.097 1.00 0.00 C ATOM 1485 CE LYS A 100 -5.248 -7.461 1.604 1.00 0.00 C ATOM 1486 NZ LYS A 100 -5.012 -8.683 0.797 1.00 0.00 N ATOM 0 H LYS A 100 -3.840 -2.610 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.564 -4.537 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.332 -4.283 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.542 -4.872 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.159 -6.992 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.985 -6.406 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.354 -7.820 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.029 -6.236 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.910 -7.675 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.732 -6.690 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.580 -8.639 -0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.004 -8.746 0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.287 -9.521 1.348 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.044 -5.180 -2.825 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.364 -5.944 -4.092 1.00 0.00 C ATOM 1502 C ILE A 101 -2.713 -7.380 -3.675 1.00 0.00 C ATOM 1503 O ILE A 101 -1.951 -8.062 -3.026 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.119 -5.924 -5.100 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.574 -5.122 -6.368 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.729 -7.362 -5.573 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.518 -5.183 -7.522 1.00 0.00 C ATOM 0 H ILE A 101 -1.132 -4.724 -2.793 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.200 -5.485 -4.619 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.261 -5.482 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.523 -5.521 -6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.749 -4.082 -6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.119 -7.303 -6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.458 -7.968 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.576 -7.819 -6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.880 -4.612 -8.377 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.424 -4.759 -7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.362 -6.220 -7.818 1.00 0.00 H new ATOM 1519 N THR A 102 -3.875 -7.799 -4.054 1.00 0.00 N ATOM 1520 CA THR A 102 -4.352 -9.180 -3.712 1.00 0.00 C ATOM 1521 C THR A 102 -4.478 -10.069 -4.948 1.00 0.00 C ATOM 1522 O THR A 102 -5.526 -10.137 -5.562 1.00 0.00 O ATOM 1523 CB THR A 102 -5.718 -9.072 -3.005 1.00 0.00 C ATOM 1524 OG1 THR A 102 -5.542 -8.195 -1.897 1.00 0.00 O ATOM 1525 CG2 THR A 102 -6.044 -10.340 -2.250 1.00 0.00 C ATOM 0 H THR A 102 -4.536 -7.243 -4.597 1.00 0.00 H new ATOM 0 HA THR A 102 -3.615 -9.643 -3.056 1.00 0.00 H new ATOM 0 HB THR A 102 -6.453 -8.801 -3.763 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.128 -7.361 -2.202 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.013 -10.234 -1.762 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.078 -11.179 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.277 -10.523 -1.498 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.413 -10.734 -5.294 1.00 0.00 N ATOM 1534 CA VAL A 103 -3.441 -11.633 -6.491 1.00 0.00 C ATOM 1535 C VAL A 103 -4.248 -12.871 -6.066 1.00 0.00 C ATOM 1536 O VAL A 103 -3.750 -13.685 -5.312 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.981 -12.012 -6.875 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -1.983 -13.152 -7.893 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -1.320 -10.859 -7.578 1.00 0.00 C ATOM 0 H VAL A 103 -2.520 -10.697 -4.802 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.895 -11.162 -7.363 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.463 -12.286 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.956 -13.408 -8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.476 -14.023 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.518 -12.838 -8.790 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.299 -11.132 -7.843 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.878 -10.616 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.304 -9.992 -6.918 1.00 0.00 H new ATOM 1549 N ALA A 104 -5.457 -12.918 -6.561 1.00 0.00 N ATOM 1550 CA ALA A 104 -6.439 -14.032 -6.285 1.00 0.00 C ATOM 1551 C ALA A 104 -5.851 -15.308 -5.601 1.00 0.00 C ATOM 1552 O ALA A 104 -6.092 -15.562 -4.434 1.00 0.00 O ATOM 1553 CB ALA A 104 -7.087 -14.341 -7.661 1.00 0.00 C ATOM 0 H ALA A 104 -5.829 -12.196 -7.178 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.160 -13.703 -5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.816 -15.143 -7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.586 -13.448 -8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.315 -14.649 -8.366 1.00 0.00 H new ATOM 1559 N GLY A 105 -5.108 -16.024 -6.392 1.00 0.00 N ATOM 1560 CA GLY A 105 -4.420 -17.289 -5.994 1.00 0.00 C ATOM 1561 C GLY A 105 -4.700 -18.455 -6.919 1.00 0.00 C ATOM 1562 O GLY A 105 -4.777 -19.541 -6.374 1.00 0.00 O ATOM 1563 OXT GLY A 105 -4.802 -18.177 -8.103 1.00 0.00 O ATOM 0 H GLY A 105 -4.938 -15.767 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.345 -17.112 -5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.729 -17.557 -4.983 1.00 0.00 H new