USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 853 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 101 GLN : amide:sc= -1.01! C(o=-1.1!,f=-5.9!) USER MOD Set 1.2: A 105 SER OG : rot 162:sc= -0.119! USER MOD Set 2.1: A 15 THR OG1 : rot 69:sc= 0.729 USER MOD Set 2.2: A 49 TYR OH : rot 100:sc= 0.274 USER MOD Set 3.1: A 13 GLN :FLIP amide:sc= -2.85! C(o=-7.2!,f=-1.8!) USER MOD Set 3.2: A 17 THR OG1 : rot 54:sc= 1 USER MOD Set 4.1: A 5 THR OG1 : rot -41:sc= -4.92! USER MOD Set 4.2: A 51 SER OG : rot 28:sc= -4.98! USER MOD Single : A 1 CYS N :NH3+ -177:sc= -2.47! (180deg=-2.55!) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -90:sc= -0.268! USER MOD Single : A 10 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.1!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00552 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.0522 F(o=-0.62,f=-0.052) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -4.02! C(o=-4!,f=-3.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.0576 F(o=-0.72,f=-0.058) USER MOD Single : A 47 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.7!) USER MOD Single : A 53 TYR OH : rot 11:sc= -0.3 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= 0.182 (180deg=-0.705) USER MOD Single : A 64 SER OG : rot 180:sc= 0.165 USER MOD Single : A 66 THR OG1 : rot 88:sc= 0.314 USER MOD Single : A 67 THR OG1 : rot 86:sc= 1.13 USER MOD Single : A 68 MET CE :methyl 178:sc= -0.342 (180deg=-0.35) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.106 F(o=-0.83,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 72:sc= 0.062 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.189 F(o=-2.7!,f=-0.19) USER MOD Single : A 74 SER OG : rot -150:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.149 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -23:sc= 0.497 USER MOD Single : A 81 SER OG : rot 180:sc= -0.495 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0271) USER MOD Single : A 92 LYS NZ :NH3+ 158:sc= -0.0277 (180deg=-0.342) USER MOD Single : A 93 LYS NZ :NH3+ -157:sc= -0.0286 (180deg=-0.28) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0749 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 78.666 9.923 12.233 1.00 0.00 N ATOM 2 CA CYS A 1 79.791 10.434 13.065 1.00 0.00 C ATOM 3 C CYS A 1 80.068 9.454 14.199 1.00 0.00 C ATOM 4 O CYS A 1 81.123 8.820 14.242 1.00 0.00 O ATOM 5 CB CYS A 1 79.417 11.803 13.639 1.00 0.00 C ATOM 6 SG CYS A 1 80.768 12.970 13.341 1.00 0.00 S ATOM 0 H1 CYS A 1 78.509 10.565 11.430 1.00 0.00 H new ATOM 0 H2 CYS A 1 78.900 8.974 11.878 1.00 0.00 H new ATOM 0 H3 CYS A 1 77.802 9.873 12.810 1.00 0.00 H new ATOM 0 HA CYS A 1 80.686 10.534 12.451 1.00 0.00 H new ATOM 0 HB2 CYS A 1 78.500 12.166 13.175 1.00 0.00 H new ATOM 0 HB3 CYS A 1 79.222 11.720 14.708 1.00 0.00 H new ATOM 0 HG CYS A 1 80.451 14.134 13.826 1.00 0.00 H new ATOM 14 N ASP A 2 79.115 9.335 15.118 1.00 0.00 N ATOM 15 CA ASP A 2 79.267 8.428 16.250 1.00 0.00 C ATOM 16 C ASP A 2 79.155 6.977 15.794 1.00 0.00 C ATOM 17 O ASP A 2 78.124 6.561 15.265 1.00 0.00 O ATOM 18 CB ASP A 2 78.194 8.719 17.300 1.00 0.00 C ATOM 19 CG ASP A 2 78.818 9.414 18.505 1.00 0.00 C ATOM 20 OD1 ASP A 2 79.754 8.865 19.062 1.00 0.00 O ATOM 21 OD2 ASP A 2 78.351 10.486 18.852 1.00 0.00 O ATOM 0 H ASP A 2 78.235 9.851 15.102 1.00 0.00 H new ATOM 0 HA ASP A 2 80.254 8.584 16.686 1.00 0.00 H new ATOM 0 HB2 ASP A 2 77.414 9.348 16.870 1.00 0.00 H new ATOM 0 HB3 ASP A 2 77.718 7.790 17.612 1.00 0.00 H new ATOM 26 N SER A 3 80.220 6.212 16.002 1.00 0.00 N ATOM 27 CA SER A 3 80.226 4.808 15.610 1.00 0.00 C ATOM 28 C SER A 3 79.094 4.058 16.302 1.00 0.00 C ATOM 29 O SER A 3 78.743 4.360 17.442 1.00 0.00 O ATOM 30 CB SER A 3 81.565 4.168 15.980 1.00 0.00 C ATOM 31 OG SER A 3 82.475 4.327 14.900 1.00 0.00 O ATOM 0 H SER A 3 81.084 6.537 16.436 1.00 0.00 H new ATOM 0 HA SER A 3 80.082 4.749 14.531 1.00 0.00 H new ATOM 0 HB2 SER A 3 81.967 4.632 16.881 1.00 0.00 H new ATOM 0 HB3 SER A 3 81.427 3.110 16.201 1.00 0.00 H new ATOM 0 HG SER A 3 83.335 3.920 15.134 1.00 0.00 H new ATOM 37 N GLY A 4 78.524 3.080 15.607 1.00 0.00 N ATOM 38 CA GLY A 4 77.426 2.299 16.179 1.00 0.00 C ATOM 39 C GLY A 4 76.351 2.017 15.135 1.00 0.00 C ATOM 40 O GLY A 4 75.754 2.942 14.585 1.00 0.00 O ATOM 0 H GLY A 4 78.796 2.810 14.662 1.00 0.00 H new ATOM 0 HA2 GLY A 4 77.811 1.358 16.572 1.00 0.00 H new ATOM 0 HA3 GLY A 4 76.989 2.840 17.018 1.00 0.00 H new ATOM 44 N THR A 5 76.110 0.735 14.866 1.00 0.00 N ATOM 45 CA THR A 5 75.105 0.352 13.877 1.00 0.00 C ATOM 46 C THR A 5 74.862 -1.154 13.894 1.00 0.00 C ATOM 47 O THR A 5 74.641 -1.755 14.946 1.00 0.00 O ATOM 48 CB THR A 5 75.588 0.747 12.483 1.00 0.00 C ATOM 49 OG1 THR A 5 76.191 2.030 12.540 1.00 0.00 O ATOM 50 CG2 THR A 5 74.413 0.780 11.500 1.00 0.00 C ATOM 0 H THR A 5 76.590 -0.047 15.312 1.00 0.00 H new ATOM 0 HA THR A 5 74.176 0.865 14.124 1.00 0.00 H new ATOM 0 HB THR A 5 76.314 0.011 12.139 1.00 0.00 H new ATOM 0 HG1 THR A 5 75.659 2.616 13.118 1.00 0.00 H new ATOM 0 HG21 THR A 5 74.774 1.063 10.511 1.00 0.00 H new ATOM 0 HG22 THR A 5 73.953 -0.207 11.450 1.00 0.00 H new ATOM 0 HG23 THR A 5 73.675 1.507 11.839 1.00 0.00 H new ATOM 58 N GLY A 6 74.905 -1.745 12.705 1.00 0.00 N ATOM 59 CA GLY A 6 74.693 -3.175 12.545 1.00 0.00 C ATOM 60 C GLY A 6 74.184 -3.472 11.140 1.00 0.00 C ATOM 61 O GLY A 6 73.121 -4.072 10.974 1.00 0.00 O ATOM 0 H GLY A 6 75.086 -1.249 11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 6 75.625 -3.711 12.724 1.00 0.00 H new ATOM 0 HA3 GLY A 6 73.974 -3.529 13.284 1.00 0.00 H new ATOM 65 N LEU A 7 74.945 -3.034 10.133 1.00 0.00 N ATOM 66 CA LEU A 7 74.561 -3.246 8.738 1.00 0.00 C ATOM 67 C LEU A 7 73.760 -4.535 8.587 1.00 0.00 C ATOM 68 O LEU A 7 72.809 -4.597 7.810 1.00 0.00 O ATOM 69 CB LEU A 7 75.793 -3.313 7.821 1.00 0.00 C ATOM 70 CG LEU A 7 77.072 -2.943 8.580 1.00 0.00 C ATOM 71 CD1 LEU A 7 77.324 -3.957 9.698 1.00 0.00 C ATOM 72 CD2 LEU A 7 78.254 -2.971 7.608 1.00 0.00 C ATOM 0 H LEU A 7 75.825 -2.534 10.258 1.00 0.00 H new ATOM 0 HA LEU A 7 73.945 -2.396 8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 7 75.889 -4.318 7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 7 75.659 -2.635 6.978 1.00 0.00 H new ATOM 0 HG LEU A 7 76.962 -1.948 9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 7 78.234 -3.689 10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 7 76.481 -3.953 10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 7 77.436 -4.952 9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 7 79.169 -2.709 8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 7 78.354 -3.971 7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 7 78.082 -2.253 6.806 1.00 0.00 H new ATOM 84 N THR A 8 74.152 -5.562 9.337 1.00 0.00 N ATOM 85 CA THR A 8 73.458 -6.847 9.277 1.00 0.00 C ATOM 86 C THR A 8 74.168 -7.883 10.142 1.00 0.00 C ATOM 87 O THR A 8 73.531 -8.760 10.726 1.00 0.00 O ATOM 88 CB THR A 8 73.392 -7.350 7.831 1.00 0.00 C ATOM 89 OG1 THR A 8 74.109 -6.465 6.980 1.00 0.00 O ATOM 90 CG2 THR A 8 71.932 -7.426 7.380 1.00 0.00 C ATOM 0 H THR A 8 74.938 -5.532 9.987 1.00 0.00 H new ATOM 0 HA THR A 8 72.446 -6.702 9.655 1.00 0.00 H new ATOM 0 HB THR A 8 73.840 -8.342 7.776 1.00 0.00 H new ATOM 0 HG1 THR A 8 73.505 -5.768 6.649 1.00 0.00 H new ATOM 0 HG21 THR A 8 71.887 -7.784 6.351 1.00 0.00 H new ATOM 0 HG22 THR A 8 71.387 -8.113 8.027 1.00 0.00 H new ATOM 0 HG23 THR A 8 71.481 -6.436 7.440 1.00 0.00 H new ATOM 98 N GLY A 9 75.492 -7.780 10.218 1.00 0.00 N ATOM 99 CA GLY A 9 76.276 -8.719 11.012 1.00 0.00 C ATOM 100 C GLY A 9 76.501 -10.017 10.243 1.00 0.00 C ATOM 101 O GLY A 9 76.874 -11.039 10.821 1.00 0.00 O ATOM 0 H GLY A 9 76.040 -7.062 9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 9 77.236 -8.272 11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 9 75.761 -8.930 11.949 1.00 0.00 H new ATOM 105 N ASN A 10 76.268 -9.967 8.936 1.00 0.00 N ATOM 106 CA ASN A 10 76.441 -11.140 8.090 1.00 0.00 C ATOM 107 C ASN A 10 77.920 -11.462 7.902 1.00 0.00 C ATOM 108 O ASN A 10 78.737 -11.218 8.789 1.00 0.00 O ATOM 109 CB ASN A 10 75.793 -10.895 6.726 1.00 0.00 C ATOM 110 CG ASN A 10 75.156 -12.182 6.215 1.00 0.00 C ATOM 111 OD1 ASN A 10 75.368 -12.567 5.065 1.00 0.00 O ATOM 112 ND2 ASN A 10 74.382 -12.874 7.006 1.00 0.00 N ATOM 0 H ASN A 10 75.960 -9.130 8.442 1.00 0.00 H new ATOM 0 HA ASN A 10 75.961 -11.988 8.578 1.00 0.00 H new ATOM 0 HB2 ASN A 10 75.038 -10.113 6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 10 76.541 -10.543 6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 10 73.951 -13.736 6.672 1.00 0.00 H new ATOM 0 HD22 ASN A 10 74.208 -12.553 7.958 1.00 0.00 H new ATOM 119 N TYR A 11 78.255 -12.015 6.740 1.00 0.00 N ATOM 120 CA TYR A 11 79.637 -12.371 6.442 1.00 0.00 C ATOM 121 C TYR A 11 80.072 -11.768 5.109 1.00 0.00 C ATOM 122 O TYR A 11 80.130 -10.547 4.962 1.00 0.00 O ATOM 123 CB TYR A 11 79.779 -13.895 6.394 1.00 0.00 C ATOM 124 CG TYR A 11 79.401 -14.478 7.734 1.00 0.00 C ATOM 125 CD1 TYR A 11 78.060 -14.498 8.135 1.00 0.00 C ATOM 126 CD2 TYR A 11 80.392 -14.997 8.576 1.00 0.00 C ATOM 127 CE1 TYR A 11 77.709 -15.038 9.378 1.00 0.00 C ATOM 128 CE2 TYR A 11 80.042 -15.536 9.820 1.00 0.00 C ATOM 129 CZ TYR A 11 78.699 -15.557 10.220 1.00 0.00 C ATOM 130 OH TYR A 11 78.354 -16.089 11.446 1.00 0.00 O ATOM 0 H TYR A 11 77.592 -12.225 5.994 1.00 0.00 H new ATOM 0 HA TYR A 11 80.277 -11.971 7.228 1.00 0.00 H new ATOM 0 HB2 TYR A 11 79.139 -14.306 5.613 1.00 0.00 H new ATOM 0 HB3 TYR A 11 80.804 -14.168 6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.296 -14.097 7.485 1.00 0.00 H new ATOM 0 HD2 TYR A 11 81.426 -14.982 8.266 1.00 0.00 H new ATOM 0 HE1 TYR A 11 76.674 -15.054 9.687 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.806 -15.935 10.471 1.00 0.00 H new ATOM 0 HH TYR A 11 79.161 -16.406 11.904 1.00 0.00 H new ATOM 140 N SER A 12 80.377 -12.628 4.142 1.00 0.00 N ATOM 141 CA SER A 12 80.806 -12.164 2.827 1.00 0.00 C ATOM 142 C SER A 12 79.756 -11.242 2.214 1.00 0.00 C ATOM 143 O SER A 12 80.091 -10.236 1.588 1.00 0.00 O ATOM 144 CB SER A 12 81.038 -13.359 1.903 1.00 0.00 C ATOM 145 OG SER A 12 82.419 -13.438 1.577 1.00 0.00 O ATOM 0 H SER A 12 80.336 -13.642 4.243 1.00 0.00 H new ATOM 0 HA SER A 12 81.736 -11.609 2.945 1.00 0.00 H new ATOM 0 HB2 SER A 12 80.714 -14.279 2.390 1.00 0.00 H new ATOM 0 HB3 SER A 12 80.444 -13.253 0.996 1.00 0.00 H new ATOM 0 HG SER A 12 82.572 -14.204 0.986 1.00 0.00 H new ATOM 151 N GLN A 13 78.485 -11.590 2.398 1.00 0.00 N ATOM 152 CA GLN A 13 77.400 -10.785 1.854 1.00 0.00 C ATOM 153 C GLN A 13 77.559 -9.329 2.279 1.00 0.00 C ATOM 154 O GLN A 13 77.447 -8.415 1.461 1.00 0.00 O ATOM 155 CB GLN A 13 76.052 -11.320 2.350 1.00 0.00 C ATOM 156 CG GLN A 13 75.104 -11.538 1.164 1.00 0.00 C ATOM 157 CD GLN A 13 74.661 -10.194 0.578 1.00 0.00 C ATOM 158 OE1 GLN A 13 75.542 -9.253 0.345 1.00 0.00 O flip ATOM 159 NE2 GLN A 13 73.474 -9.996 0.325 1.00 0.00 N flip ATOM 0 H GLN A 13 78.185 -12.416 2.915 1.00 0.00 H new ATOM 0 HA GLN A 13 77.434 -10.844 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 13 76.199 -12.258 2.886 1.00 0.00 H new ATOM 0 HB3 GLN A 13 75.610 -10.616 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 13 75.603 -12.130 0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 13 74.232 -12.106 1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 13 72.785 -10.727 0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 13 73.178 -9.101 -0.065 1.00 0.00 H new ATOM 168 N ASP A 14 77.824 -9.122 3.563 1.00 0.00 N ATOM 169 CA ASP A 14 78.002 -7.775 4.090 1.00 0.00 C ATOM 170 C ASP A 14 79.347 -7.201 3.652 1.00 0.00 C ATOM 171 O ASP A 14 79.496 -5.990 3.499 1.00 0.00 O ATOM 172 CB ASP A 14 77.929 -7.798 5.618 1.00 0.00 C ATOM 173 CG ASP A 14 77.978 -6.375 6.164 1.00 0.00 C ATOM 174 OD1 ASP A 14 77.364 -5.509 5.563 1.00 0.00 O ATOM 175 OD2 ASP A 14 78.629 -6.173 7.176 1.00 0.00 O ATOM 0 H ASP A 14 77.920 -9.865 4.255 1.00 0.00 H new ATOM 0 HA ASP A 14 77.205 -7.144 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 14 77.010 -8.288 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 14 78.758 -8.380 6.021 1.00 0.00 H new ATOM 180 N THR A 15 80.326 -8.081 3.462 1.00 0.00 N ATOM 181 CA THR A 15 81.659 -7.649 3.053 1.00 0.00 C ATOM 182 C THR A 15 81.632 -7.026 1.661 1.00 0.00 C ATOM 183 O THR A 15 82.188 -5.950 1.449 1.00 0.00 O ATOM 184 CB THR A 15 82.616 -8.842 3.054 1.00 0.00 C ATOM 185 OG1 THR A 15 82.458 -9.574 4.261 1.00 0.00 O ATOM 186 CG2 THR A 15 84.057 -8.342 2.941 1.00 0.00 C ATOM 0 H THR A 15 80.223 -9.089 3.583 1.00 0.00 H new ATOM 0 HA THR A 15 82.002 -6.898 3.764 1.00 0.00 H new ATOM 0 HB THR A 15 82.392 -9.489 2.206 1.00 0.00 H new ATOM 0 HG1 THR A 15 81.583 -10.015 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.738 -9.193 2.942 1.00 0.00 H new ATOM 0 HG22 THR A 15 84.176 -7.782 2.013 1.00 0.00 H new ATOM 0 HG23 THR A 15 84.285 -7.694 3.787 1.00 0.00 H new ATOM 194 N LEU A 16 80.989 -7.706 0.715 1.00 0.00 N ATOM 195 CA LEU A 16 80.909 -7.199 -0.652 1.00 0.00 C ATOM 196 C LEU A 16 79.900 -6.060 -0.755 1.00 0.00 C ATOM 197 O LEU A 16 80.072 -5.138 -1.551 1.00 0.00 O ATOM 198 CB LEU A 16 80.517 -8.323 -1.616 1.00 0.00 C ATOM 199 CG LEU A 16 79.223 -8.989 -1.143 1.00 0.00 C ATOM 200 CD1 LEU A 16 78.037 -8.423 -1.926 1.00 0.00 C ATOM 201 CD2 LEU A 16 79.314 -10.498 -1.384 1.00 0.00 C ATOM 0 H LEU A 16 80.521 -8.599 0.867 1.00 0.00 H new ATOM 0 HA LEU A 16 81.893 -6.818 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 16 80.383 -7.922 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 16 81.317 -9.061 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 16 79.082 -8.793 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 16 77.117 -8.899 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 16 77.972 -7.348 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 16 78.176 -8.618 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 16 78.394 -10.976 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 16 79.455 -10.689 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 16 80.158 -10.905 -0.828 1.00 0.00 H new ATOM 213 N THR A 17 78.846 -6.132 0.051 1.00 0.00 N ATOM 214 CA THR A 17 77.815 -5.101 0.036 1.00 0.00 C ATOM 215 C THR A 17 78.421 -3.724 0.287 1.00 0.00 C ATOM 216 O THR A 17 78.278 -2.815 -0.531 1.00 0.00 O ATOM 217 CB THR A 17 76.762 -5.400 1.105 1.00 0.00 C ATOM 218 OG1 THR A 17 76.061 -6.586 0.759 1.00 0.00 O ATOM 219 CG2 THR A 17 75.780 -4.231 1.193 1.00 0.00 C ATOM 0 H THR A 17 78.684 -6.887 0.718 1.00 0.00 H new ATOM 0 HA THR A 17 77.346 -5.101 -0.948 1.00 0.00 H new ATOM 0 HB THR A 17 77.250 -5.536 2.070 1.00 0.00 H new ATOM 0 HG1 THR A 17 76.701 -7.313 0.611 1.00 0.00 H new ATOM 0 HG21 THR A 17 75.029 -4.443 1.954 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.319 -3.322 1.459 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.290 -4.094 0.229 1.00 0.00 H new ATOM 227 N VAL A 18 79.095 -3.574 1.423 1.00 0.00 N ATOM 228 CA VAL A 18 79.713 -2.299 1.770 1.00 0.00 C ATOM 229 C VAL A 18 80.801 -1.934 0.765 1.00 0.00 C ATOM 230 O VAL A 18 80.999 -0.761 0.449 1.00 0.00 O ATOM 231 CB VAL A 18 80.316 -2.378 3.175 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.386 -3.469 3.213 1.00 0.00 C ATOM 233 CG2 VAL A 18 80.948 -1.031 3.535 1.00 0.00 C ATOM 0 H VAL A 18 79.227 -4.313 2.114 1.00 0.00 H new ATOM 0 HA VAL A 18 78.944 -1.527 1.746 1.00 0.00 H new ATOM 0 HB VAL A 18 79.531 -2.616 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 18 81.814 -3.524 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 18 80.936 -4.429 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 18 82.171 -3.234 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 18 81.378 -1.086 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 18 81.732 -0.793 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 18 80.185 -0.253 3.510 1.00 0.00 H new ATOM 243 N ILE A 19 81.502 -2.945 0.266 1.00 0.00 N ATOM 244 CA ILE A 19 82.568 -2.721 -0.703 1.00 0.00 C ATOM 245 C ILE A 19 82.008 -2.196 -2.006 1.00 0.00 C ATOM 246 O ILE A 19 82.689 -1.477 -2.736 1.00 0.00 O ATOM 247 CB ILE A 19 83.340 -4.030 -0.943 1.00 0.00 C ATOM 248 CG1 ILE A 19 84.770 -3.883 -0.417 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.382 -4.374 -2.439 1.00 0.00 C ATOM 250 CD1 ILE A 19 85.423 -5.265 -0.325 1.00 0.00 C ATOM 0 H ILE A 19 81.353 -3.923 0.515 1.00 0.00 H new ATOM 0 HA ILE A 19 83.251 -1.973 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 19 82.828 -4.835 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 19 85.348 -3.239 -1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 19 84.761 -3.407 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 19 83.933 -5.303 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 19 82.365 -4.493 -2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 19 83.877 -3.570 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 19 86.441 -5.162 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 19 84.848 -5.894 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 19 85.445 -5.724 -1.314 1.00 0.00 H new ATOM 262 N ALA A 20 80.779 -2.561 -2.312 1.00 0.00 N ATOM 263 CA ALA A 20 80.184 -2.115 -3.550 1.00 0.00 C ATOM 264 C ALA A 20 80.053 -0.597 -3.571 1.00 0.00 C ATOM 265 O ALA A 20 80.552 0.062 -4.480 1.00 0.00 O ATOM 266 CB ALA A 20 78.812 -2.761 -3.748 1.00 0.00 C ATOM 0 H ALA A 20 80.185 -3.153 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 20 80.838 -2.418 -4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 20 78.378 -2.414 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 20 78.921 -3.845 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 20 78.157 -2.485 -2.921 1.00 0.00 H new ATOM 272 N THR A 21 79.386 -0.044 -2.567 1.00 0.00 N ATOM 273 CA THR A 21 79.202 1.401 -2.499 1.00 0.00 C ATOM 274 C THR A 21 80.545 2.121 -2.426 1.00 0.00 C ATOM 275 O THR A 21 80.677 3.251 -2.894 1.00 0.00 O ATOM 276 CB THR A 21 78.357 1.764 -1.278 1.00 0.00 C ATOM 277 OG1 THR A 21 77.257 0.870 -1.182 1.00 0.00 O ATOM 278 CG2 THR A 21 77.844 3.198 -1.420 1.00 0.00 C ATOM 0 H THR A 21 78.968 -0.566 -1.797 1.00 0.00 H new ATOM 0 HA THR A 21 78.688 1.720 -3.406 1.00 0.00 H new ATOM 0 HB THR A 21 78.966 1.687 -0.377 1.00 0.00 H new ATOM 0 HG1 THR A 21 76.715 1.101 -0.398 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.241 3.457 -0.549 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.690 3.882 -1.492 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.235 3.279 -2.320 1.00 0.00 H new ATOM 286 N LEU A 22 81.541 1.463 -1.842 1.00 0.00 N ATOM 287 CA LEU A 22 82.865 2.064 -1.725 1.00 0.00 C ATOM 288 C LEU A 22 83.576 2.040 -3.072 1.00 0.00 C ATOM 289 O LEU A 22 84.089 3.059 -3.535 1.00 0.00 O ATOM 290 CB LEU A 22 83.696 1.290 -0.706 1.00 0.00 C ATOM 291 CG LEU A 22 83.651 2.004 0.646 1.00 0.00 C ATOM 292 CD1 LEU A 22 84.331 1.135 1.705 1.00 0.00 C ATOM 293 CD2 LEU A 22 84.385 3.344 0.542 1.00 0.00 C ATOM 0 H LEU A 22 81.459 0.526 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 22 82.750 3.097 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 22 83.312 0.275 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 22 84.727 1.208 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 22 82.613 2.178 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 22 84.299 1.644 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.811 0.180 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 22 85.369 0.961 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 22 84.353 3.852 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 22 85.423 3.169 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 22 83.903 3.965 -0.212 1.00 0.00 H new ATOM 305 N ARG A 23 83.591 0.870 -3.698 1.00 0.00 N ATOM 306 CA ARG A 23 84.229 0.717 -4.998 1.00 0.00 C ATOM 307 C ARG A 23 83.403 1.418 -6.065 1.00 0.00 C ATOM 308 O ARG A 23 83.944 1.904 -7.056 1.00 0.00 O ATOM 309 CB ARG A 23 84.369 -0.775 -5.352 1.00 0.00 C ATOM 310 CG ARG A 23 85.781 -1.311 -5.024 1.00 0.00 C ATOM 311 CD ARG A 23 85.839 -1.906 -3.611 1.00 0.00 C ATOM 312 NE ARG A 23 87.055 -1.478 -2.931 1.00 0.00 N ATOM 313 CZ ARG A 23 87.222 -0.216 -2.549 1.00 0.00 C ATOM 314 NH1 ARG A 23 86.293 0.667 -2.792 1.00 0.00 N ATOM 315 NH2 ARG A 23 88.314 0.142 -1.934 1.00 0.00 N ATOM 0 H ARG A 23 83.171 0.017 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 23 85.221 1.166 -4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 23 83.625 -1.351 -4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 23 84.163 -0.918 -6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 23 86.062 -2.072 -5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 23 86.508 -0.503 -5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 23 84.965 -1.591 -3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 23 85.809 -2.994 -3.666 1.00 0.00 H new ATOM 0 HE ARG A 23 87.791 -2.159 -2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 23 85.439 0.389 -3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 23 86.421 1.636 -2.499 1.00 0.00 H new ATOM 0 HH21 ARG A 23 89.042 -0.547 -1.745 1.00 0.00 H new ATOM 0 HH22 ARG A 23 88.440 1.111 -1.642 1.00 0.00 H new ATOM 329 N GLU A 24 82.093 1.477 -5.863 1.00 0.00 N ATOM 330 CA GLU A 24 81.232 2.139 -6.834 1.00 0.00 C ATOM 331 C GLU A 24 81.343 3.648 -6.685 1.00 0.00 C ATOM 332 O GLU A 24 81.240 4.391 -7.658 1.00 0.00 O ATOM 333 CB GLU A 24 79.775 1.695 -6.665 1.00 0.00 C ATOM 334 CG GLU A 24 78.986 2.029 -7.933 1.00 0.00 C ATOM 335 CD GLU A 24 77.622 2.604 -7.565 1.00 0.00 C ATOM 336 OE1 GLU A 24 77.104 2.228 -6.527 1.00 0.00 O ATOM 337 OE2 GLU A 24 77.117 3.412 -8.327 1.00 0.00 O ATOM 0 H GLU A 24 81.612 1.084 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 24 81.560 1.855 -7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.731 0.624 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.329 2.195 -5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 24 79.541 2.747 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.860 1.132 -8.539 1.00 0.00 H new ATOM 344 N ALA A 25 81.572 4.080 -5.455 1.00 0.00 N ATOM 345 CA ALA A 25 81.711 5.504 -5.150 1.00 0.00 C ATOM 346 C ALA A 25 82.702 6.162 -6.103 1.00 0.00 C ATOM 347 O ALA A 25 82.474 7.271 -6.587 1.00 0.00 O ATOM 348 CB ALA A 25 82.202 5.679 -3.713 1.00 0.00 C ATOM 0 H ALA A 25 81.667 3.466 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 25 80.737 5.979 -5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 25 82.304 6.741 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.484 5.232 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 25 83.169 5.189 -3.597 1.00 0.00 H new ATOM 354 N ILE A 26 83.800 5.468 -6.374 1.00 0.00 N ATOM 355 CA ILE A 26 84.814 5.990 -7.279 1.00 0.00 C ATOM 356 C ILE A 26 84.400 5.733 -8.720 1.00 0.00 C ATOM 357 O ILE A 26 84.783 6.467 -9.631 1.00 0.00 O ATOM 358 CB ILE A 26 86.156 5.312 -7.007 1.00 0.00 C ATOM 359 CG1 ILE A 26 87.297 6.274 -7.359 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.278 4.048 -7.862 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.515 5.475 -7.819 1.00 0.00 C ATOM 0 H ILE A 26 84.010 4.549 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 26 84.914 7.063 -7.116 1.00 0.00 H new ATOM 0 HB ILE A 26 86.216 5.044 -5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 26 86.980 6.959 -8.146 1.00 0.00 H new ATOM 0 HG13 ILE A 26 87.554 6.882 -6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.236 3.567 -7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.469 3.361 -7.613 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.216 4.315 -8.917 1.00 0.00 H new ATOM 0 HD11 ILE A 26 89.326 6.159 -8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.836 4.809 -7.019 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.253 4.886 -8.698 1.00 0.00 H new ATOM 373 N ASP A 27 83.631 4.668 -8.916 1.00 0.00 N ATOM 374 CA ASP A 27 83.187 4.300 -10.259 1.00 0.00 C ATOM 375 C ASP A 27 81.717 4.655 -10.505 1.00 0.00 C ATOM 376 O ASP A 27 81.065 4.037 -11.348 1.00 0.00 O ATOM 377 CB ASP A 27 83.393 2.798 -10.470 1.00 0.00 C ATOM 378 CG ASP A 27 84.381 2.561 -11.608 1.00 0.00 C ATOM 379 OD1 ASP A 27 83.974 2.676 -12.751 1.00 0.00 O ATOM 380 OD2 ASP A 27 85.528 2.267 -11.317 1.00 0.00 O ATOM 0 H ASP A 27 83.304 4.050 -8.173 1.00 0.00 H new ATOM 0 HA ASP A 27 83.784 4.871 -10.970 1.00 0.00 H new ATOM 0 HB2 ASP A 27 83.766 2.341 -9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 27 82.440 2.321 -10.699 1.00 0.00 H new ATOM 385 N LEU A 28 81.189 5.647 -9.789 1.00 0.00 N ATOM 386 CA LEU A 28 79.793 6.035 -9.990 1.00 0.00 C ATOM 387 C LEU A 28 79.557 6.415 -11.452 1.00 0.00 C ATOM 388 O LEU A 28 80.442 6.971 -12.103 1.00 0.00 O ATOM 389 CB LEU A 28 79.420 7.226 -9.094 1.00 0.00 C ATOM 390 CG LEU A 28 79.497 6.813 -7.632 1.00 0.00 C ATOM 391 CD1 LEU A 28 79.127 7.993 -6.756 1.00 0.00 C ATOM 392 CD2 LEU A 28 78.519 5.668 -7.356 1.00 0.00 C ATOM 0 H LEU A 28 81.691 6.185 -9.082 1.00 0.00 H new ATOM 0 HA LEU A 28 79.167 5.183 -9.725 1.00 0.00 H new ATOM 0 HB2 LEU A 28 80.096 8.060 -9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 28 78.414 7.571 -9.332 1.00 0.00 H new ATOM 0 HG LEU A 28 80.513 6.484 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 28 79.182 7.699 -5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 28 79.820 8.814 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 28 78.113 8.316 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 28 78.582 5.380 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 28 77.504 5.994 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 28 78.773 4.813 -7.983 1.00 0.00 H new ATOM 404 N PRO A 29 78.391 6.133 -11.981 1.00 0.00 N ATOM 405 CA PRO A 29 78.057 6.463 -13.397 1.00 0.00 C ATOM 406 C PRO A 29 78.083 7.966 -13.646 1.00 0.00 C ATOM 407 O PRO A 29 77.914 8.759 -12.721 1.00 0.00 O ATOM 408 CB PRO A 29 76.645 5.899 -13.596 1.00 0.00 C ATOM 409 CG PRO A 29 76.082 5.722 -12.226 1.00 0.00 C ATOM 410 CD PRO A 29 77.266 5.480 -11.295 1.00 0.00 C ATOM 0 HA PRO A 29 78.780 6.040 -14.095 1.00 0.00 H new ATOM 0 HB2 PRO A 29 76.031 6.580 -14.186 1.00 0.00 H new ATOM 0 HB3 PRO A 29 76.675 4.951 -14.132 1.00 0.00 H new ATOM 0 HG2 PRO A 29 75.523 6.606 -11.920 1.00 0.00 H new ATOM 0 HG3 PRO A 29 75.389 4.881 -12.198 1.00 0.00 H new ATOM 0 HD2 PRO A 29 77.094 5.911 -10.309 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.450 4.415 -11.150 1.00 0.00 H new ATOM 418 N GLN A 30 78.292 8.353 -14.898 1.00 0.00 N ATOM 419 CA GLN A 30 78.333 9.766 -15.246 1.00 0.00 C ATOM 420 C GLN A 30 77.020 10.441 -14.866 1.00 0.00 C ATOM 421 O GLN A 30 76.853 11.647 -15.053 1.00 0.00 O ATOM 422 CB GLN A 30 78.588 9.930 -16.743 1.00 0.00 C ATOM 423 CG GLN A 30 80.090 10.081 -16.982 1.00 0.00 C ATOM 424 CD GLN A 30 80.412 9.844 -18.454 1.00 0.00 C ATOM 425 OE1 GLN A 30 79.541 9.994 -19.312 1.00 0.00 O ATOM 426 NE2 GLN A 30 81.616 9.480 -18.798 1.00 0.00 N ATOM 0 H GLN A 30 78.434 7.715 -15.681 1.00 0.00 H new ATOM 0 HA GLN A 30 79.145 10.239 -14.693 1.00 0.00 H new ATOM 0 HB2 GLN A 30 78.206 9.066 -17.286 1.00 0.00 H new ATOM 0 HB3 GLN A 30 78.058 10.804 -17.121 1.00 0.00 H new ATOM 0 HG2 GLN A 30 80.415 11.079 -16.687 1.00 0.00 H new ATOM 0 HG3 GLN A 30 80.638 9.371 -16.363 1.00 0.00 H new ATOM 0 HE21 GLN A 30 82.335 9.357 -18.085 1.00 0.00 H new ATOM 0 HE22 GLN A 30 81.839 9.319 -19.780 1.00 0.00 H new ATOM 435 N ASP A 31 76.096 9.654 -14.327 1.00 0.00 N ATOM 436 CA ASP A 31 74.802 10.183 -13.916 1.00 0.00 C ATOM 437 C ASP A 31 74.864 10.669 -12.472 1.00 0.00 C ATOM 438 O ASP A 31 73.929 11.295 -11.975 1.00 0.00 O ATOM 439 CB ASP A 31 73.728 9.101 -14.047 1.00 0.00 C ATOM 440 CG ASP A 31 72.972 9.269 -15.361 1.00 0.00 C ATOM 441 OD1 ASP A 31 73.619 9.291 -16.395 1.00 0.00 O ATOM 442 OD2 ASP A 31 71.757 9.373 -15.315 1.00 0.00 O ATOM 0 H ASP A 31 76.218 8.654 -14.165 1.00 0.00 H new ATOM 0 HA ASP A 31 74.549 11.023 -14.563 1.00 0.00 H new ATOM 0 HB2 ASP A 31 74.189 8.114 -14.007 1.00 0.00 H new ATOM 0 HB3 ASP A 31 73.034 9.163 -13.209 1.00 0.00 H new ATOM 447 N ALA A 32 75.978 10.379 -11.803 1.00 0.00 N ATOM 448 CA ALA A 32 76.155 10.793 -10.417 1.00 0.00 C ATOM 449 C ALA A 32 77.577 11.289 -10.183 1.00 0.00 C ATOM 450 O ALA A 32 78.357 10.651 -9.476 1.00 0.00 O ATOM 451 CB ALA A 32 75.864 9.622 -9.474 1.00 0.00 C ATOM 0 H ALA A 32 76.765 9.863 -12.196 1.00 0.00 H new ATOM 0 HA ALA A 32 75.457 11.605 -10.213 1.00 0.00 H new ATOM 0 HB1 ALA A 32 76.000 9.944 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 32 74.837 9.286 -9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 32 76.548 8.801 -9.691 1.00 0.00 H new ATOM 457 N PRO A 33 77.923 12.413 -10.752 1.00 0.00 N ATOM 458 CA PRO A 33 79.280 13.011 -10.593 1.00 0.00 C ATOM 459 C PRO A 33 79.556 13.404 -9.144 1.00 0.00 C ATOM 460 O PRO A 33 80.306 14.343 -8.877 1.00 0.00 O ATOM 461 CB PRO A 33 79.258 14.254 -11.496 1.00 0.00 C ATOM 462 CG PRO A 33 78.051 14.113 -12.368 1.00 0.00 C ATOM 463 CD PRO A 33 77.062 13.233 -11.609 1.00 0.00 C ATOM 0 HA PRO A 33 80.067 12.307 -10.863 1.00 0.00 H new ATOM 0 HB2 PRO A 33 79.205 15.166 -10.902 1.00 0.00 H new ATOM 0 HB3 PRO A 33 80.166 14.316 -12.095 1.00 0.00 H new ATOM 0 HG2 PRO A 33 77.614 15.088 -12.585 1.00 0.00 H new ATOM 0 HG3 PRO A 33 78.315 13.662 -13.325 1.00 0.00 H new ATOM 0 HD2 PRO A 33 76.362 13.829 -11.023 1.00 0.00 H new ATOM 0 HD3 PRO A 33 76.468 12.619 -12.287 1.00 0.00 H new ATOM 471 N ASN A 34 78.935 12.685 -8.215 1.00 0.00 N ATOM 472 CA ASN A 34 79.107 12.968 -6.799 1.00 0.00 C ATOM 473 C ASN A 34 79.876 11.842 -6.111 1.00 0.00 C ATOM 474 O ASN A 34 79.473 11.360 -5.053 1.00 0.00 O ATOM 475 CB ASN A 34 77.737 13.129 -6.141 1.00 0.00 C ATOM 476 CG ASN A 34 77.008 14.328 -6.741 1.00 0.00 C ATOM 477 OD1 ASN A 34 76.549 14.257 -7.961 1.00 0.00 O flip ATOM 478 ND2 ASN A 34 76.852 15.355 -6.081 1.00 0.00 N flip ATOM 0 H ASN A 34 78.310 11.905 -8.418 1.00 0.00 H new ATOM 0 HA ASN A 34 79.678 13.891 -6.695 1.00 0.00 H new ATOM 0 HB2 ASN A 34 77.146 12.224 -6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 34 77.854 13.265 -5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 34 77.211 15.408 -5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 34 76.363 16.153 -6.487 1.00 0.00 H new ATOM 485 N ARG A 35 80.986 11.434 -6.715 1.00 0.00 N ATOM 486 CA ARG A 35 81.807 10.370 -6.147 1.00 0.00 C ATOM 487 C ARG A 35 82.171 10.700 -4.703 1.00 0.00 C ATOM 488 O ARG A 35 82.264 9.810 -3.857 1.00 0.00 O ATOM 489 CB ARG A 35 83.087 10.191 -6.971 1.00 0.00 C ATOM 490 CG ARG A 35 83.285 11.393 -7.902 1.00 0.00 C ATOM 491 CD ARG A 35 82.389 11.251 -9.137 1.00 0.00 C ATOM 492 NE ARG A 35 83.197 10.933 -10.308 1.00 0.00 N ATOM 493 CZ ARG A 35 83.986 11.846 -10.866 1.00 0.00 C ATOM 494 NH1 ARG A 35 84.035 13.055 -10.374 1.00 0.00 N ATOM 495 NH2 ARG A 35 84.711 11.535 -11.905 1.00 0.00 N ATOM 0 H ARG A 35 81.337 11.820 -7.592 1.00 0.00 H new ATOM 0 HA ARG A 35 81.235 9.442 -6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.945 10.090 -6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 35 83.027 9.273 -7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.047 12.316 -7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.330 11.460 -8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.650 10.467 -8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 35 81.839 12.177 -9.305 1.00 0.00 H new ATOM 0 HE ARG A 35 83.156 9.995 -10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 35 83.468 13.298 -9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 35 84.640 13.756 -10.802 1.00 0.00 H new ATOM 0 HH21 ARG A 35 84.673 10.591 -12.290 1.00 0.00 H new ATOM 0 HH22 ARG A 35 85.316 12.236 -12.333 1.00 0.00 H new ATOM 509 N GLN A 36 82.375 11.985 -4.431 1.00 0.00 N ATOM 510 CA GLN A 36 82.729 12.426 -3.087 1.00 0.00 C ATOM 511 C GLN A 36 81.507 12.432 -2.171 1.00 0.00 C ATOM 512 O GLN A 36 81.563 11.943 -1.044 1.00 0.00 O ATOM 513 CB GLN A 36 83.329 13.832 -3.143 1.00 0.00 C ATOM 514 CG GLN A 36 83.994 14.158 -1.804 1.00 0.00 C ATOM 515 CD GLN A 36 84.111 15.669 -1.634 1.00 0.00 C ATOM 516 OE1 GLN A 36 84.918 16.311 -2.307 1.00 0.00 O ATOM 517 NE2 GLN A 36 83.347 16.280 -0.769 1.00 0.00 N ATOM 0 H GLN A 36 82.302 12.735 -5.119 1.00 0.00 H new ATOM 0 HA GLN A 36 83.462 11.727 -2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 36 84.060 13.895 -3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 36 82.550 14.563 -3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 36 83.410 13.736 -0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 36 84.983 13.701 -1.759 1.00 0.00 H new ATOM 0 HE21 GLN A 36 82.679 15.747 -0.212 1.00 0.00 H new ATOM 0 HE22 GLN A 36 83.418 17.291 -0.650 1.00 0.00 H new ATOM 526 N GLU A 37 80.407 13.001 -2.659 1.00 0.00 N ATOM 527 CA GLU A 37 79.184 13.077 -1.866 1.00 0.00 C ATOM 528 C GLU A 37 78.552 11.701 -1.693 1.00 0.00 C ATOM 529 O GLU A 37 78.267 11.285 -0.571 1.00 0.00 O ATOM 530 CB GLU A 37 78.184 14.028 -2.525 1.00 0.00 C ATOM 531 CG GLU A 37 77.722 15.070 -1.503 1.00 0.00 C ATOM 532 CD GLU A 37 76.532 15.847 -2.053 1.00 0.00 C ATOM 533 OE1 GLU A 37 76.748 16.723 -2.873 1.00 0.00 O ATOM 534 OE2 GLU A 37 75.420 15.556 -1.644 1.00 0.00 O ATOM 0 H GLU A 37 80.338 13.412 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 37 79.448 13.459 -0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 37 78.645 14.522 -3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 37 77.328 13.469 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.446 14.579 -0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 37 78.539 15.754 -1.274 1.00 0.00 H new ATOM 541 N VAL A 38 78.341 10.984 -2.794 1.00 0.00 N ATOM 542 CA VAL A 38 77.753 9.657 -2.692 1.00 0.00 C ATOM 543 C VAL A 38 78.627 8.807 -1.784 1.00 0.00 C ATOM 544 O VAL A 38 78.132 8.003 -0.996 1.00 0.00 O ATOM 545 CB VAL A 38 77.632 9.012 -4.074 1.00 0.00 C ATOM 546 CG1 VAL A 38 77.576 7.489 -3.926 1.00 0.00 C ATOM 547 CG2 VAL A 38 76.349 9.504 -4.747 1.00 0.00 C ATOM 0 H VAL A 38 78.562 11.291 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 38 76.750 9.734 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 38 78.495 9.285 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 38 77.490 7.031 -4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.486 7.137 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 38 76.712 7.214 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 38 76.257 9.048 -5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 38 75.489 9.227 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.386 10.588 -4.851 1.00 0.00 H new ATOM 557 N GLN A 39 79.933 9.017 -1.885 1.00 0.00 N ATOM 558 CA GLN A 39 80.875 8.288 -1.047 1.00 0.00 C ATOM 559 C GLN A 39 80.552 8.538 0.422 1.00 0.00 C ATOM 560 O GLN A 39 80.757 7.668 1.270 1.00 0.00 O ATOM 561 CB GLN A 39 82.308 8.740 -1.350 1.00 0.00 C ATOM 562 CG GLN A 39 83.214 8.401 -0.163 1.00 0.00 C ATOM 563 CD GLN A 39 83.153 9.518 0.874 1.00 0.00 C ATOM 564 OE1 GLN A 39 82.927 9.258 2.055 1.00 0.00 O ATOM 565 NE2 GLN A 39 83.342 10.755 0.499 1.00 0.00 N ATOM 0 H GLN A 39 80.361 9.679 -2.532 1.00 0.00 H new ATOM 0 HA GLN A 39 80.790 7.222 -1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.673 8.248 -2.251 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.329 9.813 -1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 39 82.901 7.459 0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 39 84.240 8.266 -0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 39 83.529 10.968 -0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 39 83.302 11.508 1.186 1.00 0.00 H new ATOM 574 N ASP A 40 80.032 9.730 0.716 1.00 0.00 N ATOM 575 CA ASP A 40 79.670 10.076 2.086 1.00 0.00 C ATOM 576 C ASP A 40 78.677 9.060 2.631 1.00 0.00 C ATOM 577 O ASP A 40 78.807 8.598 3.764 1.00 0.00 O ATOM 578 CB ASP A 40 79.056 11.477 2.135 1.00 0.00 C ATOM 579 CG ASP A 40 79.103 12.019 3.560 1.00 0.00 C ATOM 580 OD1 ASP A 40 80.109 11.810 4.219 1.00 0.00 O ATOM 581 OD2 ASP A 40 78.133 12.632 3.972 1.00 0.00 O ATOM 0 H ASP A 40 79.854 10.464 0.030 1.00 0.00 H new ATOM 0 HA ASP A 40 80.571 10.064 2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 40 79.599 12.144 1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 40 78.025 11.443 1.784 1.00 0.00 H new ATOM 586 N THR A 41 77.694 8.699 1.813 1.00 0.00 N ATOM 587 CA THR A 41 76.703 7.717 2.234 1.00 0.00 C ATOM 588 C THR A 41 77.417 6.434 2.632 1.00 0.00 C ATOM 589 O THR A 41 77.017 5.752 3.577 1.00 0.00 O ATOM 590 CB THR A 41 75.711 7.438 1.100 1.00 0.00 C ATOM 591 OG1 THR A 41 74.607 8.326 1.213 1.00 0.00 O ATOM 592 CG2 THR A 41 75.217 5.993 1.192 1.00 0.00 C ATOM 0 H THR A 41 77.563 9.065 0.870 1.00 0.00 H new ATOM 0 HA THR A 41 76.146 8.107 3.086 1.00 0.00 H new ATOM 0 HB THR A 41 76.205 7.588 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 41 73.971 8.151 0.488 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.512 5.797 0.384 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.064 5.313 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.723 5.838 2.151 1.00 0.00 H new ATOM 600 N ALA A 42 78.492 6.127 1.917 1.00 0.00 N ATOM 601 CA ALA A 42 79.278 4.941 2.212 1.00 0.00 C ATOM 602 C ALA A 42 79.959 5.105 3.565 1.00 0.00 C ATOM 603 O ALA A 42 80.162 4.136 4.295 1.00 0.00 O ATOM 604 CB ALA A 42 80.334 4.729 1.126 1.00 0.00 C ATOM 0 H ALA A 42 78.836 6.681 1.133 1.00 0.00 H new ATOM 0 HA ALA A 42 78.619 4.073 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 42 80.918 3.838 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 42 79.843 4.602 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 42 80.994 5.595 1.086 1.00 0.00 H new ATOM 610 N ARG A 43 80.304 6.347 3.895 1.00 0.00 N ATOM 611 CA ARG A 43 80.954 6.634 5.167 1.00 0.00 C ATOM 612 C ARG A 43 80.160 6.020 6.312 1.00 0.00 C ATOM 613 O ARG A 43 80.723 5.383 7.202 1.00 0.00 O ATOM 614 CB ARG A 43 81.060 8.146 5.372 1.00 0.00 C ATOM 615 CG ARG A 43 82.073 8.443 6.478 1.00 0.00 C ATOM 616 CD ARG A 43 81.538 9.566 7.367 1.00 0.00 C ATOM 617 NE ARG A 43 80.580 9.036 8.330 1.00 0.00 N ATOM 618 CZ ARG A 43 79.559 9.769 8.764 1.00 0.00 C ATOM 619 NH1 ARG A 43 79.401 10.992 8.336 1.00 0.00 N ATOM 620 NH2 ARG A 43 78.714 9.265 9.621 1.00 0.00 N ATOM 0 H ARG A 43 80.145 7.163 3.304 1.00 0.00 H new ATOM 0 HA ARG A 43 81.954 6.202 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 43 81.367 8.628 4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 43 80.086 8.557 5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 43 82.252 7.547 7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 43 83.029 8.733 6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 43 82.363 10.048 7.892 1.00 0.00 H new ATOM 0 HD3 ARG A 43 81.062 10.330 6.753 1.00 0.00 H new ATOM 0 HE ARG A 43 80.695 8.084 8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 43 80.062 11.388 7.667 1.00 0.00 H new ATOM 0 HH12 ARG A 43 78.617 11.552 8.671 1.00 0.00 H new ATOM 0 HH21 ARG A 43 78.837 8.310 9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 43 77.930 9.826 9.955 1.00 0.00 H new ATOM 634 N GLY A 44 78.844 6.209 6.278 1.00 0.00 N ATOM 635 CA GLY A 44 77.980 5.659 7.316 1.00 0.00 C ATOM 636 C GLY A 44 78.163 4.149 7.413 1.00 0.00 C ATOM 637 O GLY A 44 78.276 3.594 8.506 1.00 0.00 O ATOM 0 H GLY A 44 78.357 6.733 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 44 78.212 6.122 8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 44 76.939 5.892 7.093 1.00 0.00 H new ATOM 641 N GLN A 45 78.199 3.492 6.257 1.00 0.00 N ATOM 642 CA GLN A 45 78.380 2.046 6.217 1.00 0.00 C ATOM 643 C GLN A 45 79.673 1.652 6.926 1.00 0.00 C ATOM 644 O GLN A 45 79.734 0.615 7.580 1.00 0.00 O ATOM 645 CB GLN A 45 78.421 1.560 4.765 1.00 0.00 C ATOM 646 CG GLN A 45 77.094 1.891 4.078 1.00 0.00 C ATOM 647 CD GLN A 45 76.387 0.606 3.656 1.00 0.00 C ATOM 648 OE1 GLN A 45 77.068 -0.339 3.067 1.00 0.00 O flip ATOM 649 NE2 GLN A 45 75.184 0.461 3.868 1.00 0.00 N flip ATOM 0 H GLN A 45 78.106 3.935 5.343 1.00 0.00 H new ATOM 0 HA GLN A 45 77.539 1.579 6.729 1.00 0.00 H new ATOM 0 HB2 GLN A 45 79.246 2.036 4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 45 78.600 0.485 4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.457 2.460 4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 45 77.274 2.520 3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 45 74.654 1.201 4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 45 74.716 -0.399 3.583 1.00 0.00 H new ATOM 658 N ILE A 46 80.706 2.487 6.798 1.00 0.00 N ATOM 659 CA ILE A 46 81.987 2.205 7.447 1.00 0.00 C ATOM 660 C ILE A 46 81.860 2.366 8.953 1.00 0.00 C ATOM 661 O ILE A 46 82.173 1.445 9.708 1.00 0.00 O ATOM 662 CB ILE A 46 83.068 3.146 6.912 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.282 2.880 5.420 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.377 2.904 7.666 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.192 3.961 4.834 1.00 0.00 C ATOM 0 H ILE A 46 80.682 3.352 6.259 1.00 0.00 H new ATOM 0 HA ILE A 46 82.271 1.176 7.224 1.00 0.00 H new ATOM 0 HB ILE A 46 82.753 4.179 7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 46 83.729 1.896 5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 46 82.324 2.875 4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.146 3.575 7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 46 84.225 3.094 8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.693 1.871 7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.344 3.772 3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 46 83.727 4.938 4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.154 3.945 5.347 1.00 0.00 H new ATOM 677 N ASN A 47 81.369 3.518 9.392 1.00 0.00 N ATOM 678 CA ASN A 47 81.180 3.732 10.816 1.00 0.00 C ATOM 679 C ASN A 47 80.346 2.587 11.345 1.00 0.00 C ATOM 680 O ASN A 47 80.529 2.134 12.467 1.00 0.00 O ATOM 681 CB ASN A 47 80.462 5.062 11.069 1.00 0.00 C ATOM 682 CG ASN A 47 81.477 6.192 11.211 1.00 0.00 C ATOM 683 OD1 ASN A 47 82.642 5.950 11.526 1.00 0.00 O ATOM 684 ND2 ASN A 47 81.100 7.424 10.999 1.00 0.00 N ATOM 0 H ASN A 47 81.100 4.301 8.796 1.00 0.00 H new ATOM 0 HA ASN A 47 82.145 3.772 11.321 1.00 0.00 H new ATOM 0 HB2 ASN A 47 79.780 5.277 10.246 1.00 0.00 H new ATOM 0 HB3 ASN A 47 79.858 4.991 11.973 1.00 0.00 H new ATOM 0 HD21 ASN A 47 81.771 8.186 11.094 1.00 0.00 H new ATOM 0 HD22 ASN A 47 80.134 7.624 10.738 1.00 0.00 H new ATOM 691 N ASP A 48 79.439 2.121 10.497 1.00 0.00 N ATOM 692 CA ASP A 48 78.565 1.013 10.838 1.00 0.00 C ATOM 693 C ASP A 48 79.328 -0.310 10.819 1.00 0.00 C ATOM 694 O ASP A 48 79.224 -1.122 11.738 1.00 0.00 O ATOM 695 CB ASP A 48 77.421 0.949 9.827 1.00 0.00 C ATOM 696 CG ASP A 48 76.539 2.186 9.948 1.00 0.00 C ATOM 697 OD1 ASP A 48 76.933 3.106 10.646 1.00 0.00 O ATOM 698 OD2 ASP A 48 75.483 2.198 9.337 1.00 0.00 O ATOM 0 H ASP A 48 79.291 2.499 9.561 1.00 0.00 H new ATOM 0 HA ASP A 48 78.175 1.173 11.843 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.823 0.878 8.816 1.00 0.00 H new ATOM 0 HB3 ASP A 48 76.826 0.052 9.997 1.00 0.00 H new ATOM 703 N TYR A 49 80.072 -0.525 9.743 1.00 0.00 N ATOM 704 CA TYR A 49 80.837 -1.754 9.572 1.00 0.00 C ATOM 705 C TYR A 49 81.867 -1.940 10.687 1.00 0.00 C ATOM 706 O TYR A 49 81.893 -2.974 11.352 1.00 0.00 O ATOM 707 CB TYR A 49 81.565 -1.720 8.226 1.00 0.00 C ATOM 708 CG TYR A 49 82.024 -3.111 7.855 1.00 0.00 C ATOM 709 CD1 TYR A 49 83.101 -3.700 8.530 1.00 0.00 C ATOM 710 CD2 TYR A 49 81.373 -3.810 6.832 1.00 0.00 C ATOM 711 CE1 TYR A 49 83.524 -4.988 8.181 1.00 0.00 C ATOM 712 CE2 TYR A 49 81.797 -5.097 6.483 1.00 0.00 C ATOM 713 CZ TYR A 49 82.873 -5.686 7.158 1.00 0.00 C ATOM 714 OH TYR A 49 83.290 -6.956 6.813 1.00 0.00 O ATOM 0 H TYR A 49 80.163 0.137 8.973 1.00 0.00 H new ATOM 0 HA TYR A 49 80.137 -2.588 9.609 1.00 0.00 H new ATOM 0 HB2 TYR A 49 80.903 -1.328 7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 49 82.421 -1.048 8.283 1.00 0.00 H new ATOM 0 HD1 TYR A 49 83.604 -3.161 9.319 1.00 0.00 H new ATOM 0 HD2 TYR A 49 80.543 -3.356 6.312 1.00 0.00 H new ATOM 0 HE1 TYR A 49 84.353 -5.443 8.702 1.00 0.00 H new ATOM 0 HE2 TYR A 49 81.294 -5.636 5.693 1.00 0.00 H new ATOM 0 HH TYR A 49 82.702 -7.619 7.232 1.00 0.00 H new ATOM 724 N ILE A 50 82.731 -0.946 10.862 1.00 0.00 N ATOM 725 CA ILE A 50 83.782 -1.024 11.874 1.00 0.00 C ATOM 726 C ILE A 50 83.244 -0.834 13.289 1.00 0.00 C ATOM 727 O ILE A 50 83.864 -1.276 14.256 1.00 0.00 O ATOM 728 CB ILE A 50 84.847 0.034 11.592 1.00 0.00 C ATOM 729 CG1 ILE A 50 85.733 -0.434 10.435 1.00 0.00 C ATOM 730 CG2 ILE A 50 85.708 0.239 12.839 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.657 0.706 10.004 1.00 0.00 C ATOM 0 H ILE A 50 82.726 -0.081 10.321 1.00 0.00 H new ATOM 0 HA ILE A 50 84.212 -2.024 11.816 1.00 0.00 H new ATOM 0 HB ILE A 50 84.363 0.974 11.326 1.00 0.00 H new ATOM 0 HG12 ILE A 50 86.323 -1.298 10.742 1.00 0.00 H new ATOM 0 HG13 ILE A 50 85.115 -0.752 9.595 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.468 0.994 12.637 1.00 0.00 H new ATOM 0 HG22 ILE A 50 85.079 0.570 13.665 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.192 -0.701 13.105 1.00 0.00 H new ATOM 0 HD11 ILE A 50 87.287 0.372 9.180 1.00 0.00 H new ATOM 0 HD12 ILE A 50 86.058 1.557 9.680 1.00 0.00 H new ATOM 0 HD13 ILE A 50 87.285 1.003 10.844 1.00 0.00 H new ATOM 743 N SER A 51 82.107 -0.161 13.418 1.00 0.00 N ATOM 744 CA SER A 51 81.542 0.085 14.746 1.00 0.00 C ATOM 745 C SER A 51 81.404 -1.205 15.545 1.00 0.00 C ATOM 746 O SER A 51 82.041 -1.373 16.585 1.00 0.00 O ATOM 747 CB SER A 51 80.168 0.741 14.647 1.00 0.00 C ATOM 748 OG SER A 51 79.540 0.345 13.440 1.00 0.00 O ATOM 0 H SER A 51 81.566 0.218 12.641 1.00 0.00 H new ATOM 0 HA SER A 51 82.234 0.754 15.258 1.00 0.00 H new ATOM 0 HB2 SER A 51 79.554 0.453 15.500 1.00 0.00 H new ATOM 0 HB3 SER A 51 80.268 1.826 14.678 1.00 0.00 H new ATOM 0 HG SER A 51 79.875 -0.536 13.171 1.00 0.00 H new ATOM 754 N ARG A 52 80.546 -2.098 15.070 1.00 0.00 N ATOM 755 CA ARG A 52 80.308 -3.357 15.773 1.00 0.00 C ATOM 756 C ARG A 52 80.550 -4.557 14.869 1.00 0.00 C ATOM 757 O ARG A 52 80.656 -5.689 15.343 1.00 0.00 O ATOM 758 CB ARG A 52 78.864 -3.394 16.283 1.00 0.00 C ATOM 759 CG ARG A 52 77.908 -3.617 15.099 1.00 0.00 C ATOM 760 CD ARG A 52 77.604 -5.111 14.924 1.00 0.00 C ATOM 761 NE ARG A 52 76.295 -5.430 15.484 1.00 0.00 N ATOM 762 CZ ARG A 52 75.891 -6.690 15.607 1.00 0.00 C ATOM 763 NH1 ARG A 52 76.673 -7.666 15.235 1.00 0.00 N ATOM 764 NH2 ARG A 52 74.711 -6.951 16.100 1.00 0.00 N ATOM 0 H ARG A 52 80.008 -1.979 14.212 1.00 0.00 H new ATOM 0 HA ARG A 52 81.006 -3.412 16.608 1.00 0.00 H new ATOM 0 HB2 ARG A 52 78.746 -4.193 17.015 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.622 -2.460 16.789 1.00 0.00 H new ATOM 0 HG2 ARG A 52 76.981 -3.069 15.265 1.00 0.00 H new ATOM 0 HG3 ARG A 52 78.353 -3.222 14.186 1.00 0.00 H new ATOM 0 HD2 ARG A 52 77.628 -5.373 13.866 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.373 -5.706 15.417 1.00 0.00 H new ATOM 0 HE ARG A 52 75.680 -4.674 15.786 1.00 0.00 H new ATOM 0 HH11 ARG A 52 77.595 -7.462 14.850 1.00 0.00 H new ATOM 0 HH12 ARG A 52 76.362 -8.633 15.330 1.00 0.00 H new ATOM 0 HH21 ARG A 52 74.100 -6.188 16.391 1.00 0.00 H new ATOM 0 HH22 ARG A 52 74.400 -7.918 16.195 1.00 0.00 H new ATOM 778 N TYR A 53 80.623 -4.315 13.569 1.00 0.00 N ATOM 779 CA TYR A 53 80.836 -5.400 12.623 1.00 0.00 C ATOM 780 C TYR A 53 82.264 -5.386 12.089 1.00 0.00 C ATOM 781 O TYR A 53 82.490 -5.202 10.894 1.00 0.00 O ATOM 782 CB TYR A 53 79.846 -5.273 11.466 1.00 0.00 C ATOM 783 CG TYR A 53 79.984 -6.468 10.554 1.00 0.00 C ATOM 784 CD1 TYR A 53 79.712 -7.755 11.037 1.00 0.00 C ATOM 785 CD2 TYR A 53 80.390 -6.293 9.225 1.00 0.00 C ATOM 786 CE1 TYR A 53 79.845 -8.864 10.194 1.00 0.00 C ATOM 787 CE2 TYR A 53 80.521 -7.403 8.382 1.00 0.00 C ATOM 788 CZ TYR A 53 80.249 -8.687 8.866 1.00 0.00 C ATOM 789 OH TYR A 53 80.381 -9.781 8.035 1.00 0.00 O ATOM 0 H TYR A 53 80.539 -3.389 13.149 1.00 0.00 H new ATOM 0 HA TYR A 53 80.675 -6.346 13.139 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.828 -5.210 11.850 1.00 0.00 H new ATOM 0 HB3 TYR A 53 80.035 -4.354 10.911 1.00 0.00 H new ATOM 0 HD1 TYR A 53 79.399 -7.891 12.062 1.00 0.00 H new ATOM 0 HD2 TYR A 53 80.602 -5.302 8.851 1.00 0.00 H new ATOM 0 HE1 TYR A 53 79.636 -9.855 10.568 1.00 0.00 H new ATOM 0 HE2 TYR A 53 80.832 -7.268 7.357 1.00 0.00 H new ATOM 0 HH TYR A 53 79.993 -10.570 8.468 1.00 0.00 H new ATOM 799 N ARG A 54 83.223 -5.587 12.986 1.00 0.00 N ATOM 800 CA ARG A 54 84.629 -5.602 12.599 1.00 0.00 C ATOM 801 C ARG A 54 85.047 -7.004 12.168 1.00 0.00 C ATOM 802 O ARG A 54 85.786 -7.171 11.198 1.00 0.00 O ATOM 803 CB ARG A 54 85.499 -5.148 13.775 1.00 0.00 C ATOM 804 CG ARG A 54 84.703 -5.267 15.076 1.00 0.00 C ATOM 805 CD ARG A 54 85.652 -5.160 16.269 1.00 0.00 C ATOM 806 NE ARG A 54 84.892 -5.099 17.512 1.00 0.00 N ATOM 807 CZ ARG A 54 85.392 -5.569 18.649 1.00 0.00 C ATOM 808 NH1 ARG A 54 86.587 -6.091 18.673 1.00 0.00 N ATOM 809 NH2 ARG A 54 84.685 -5.508 19.744 1.00 0.00 N ATOM 0 H ARG A 54 83.054 -5.741 13.980 1.00 0.00 H new ATOM 0 HA ARG A 54 84.765 -4.918 11.761 1.00 0.00 H new ATOM 0 HB2 ARG A 54 86.400 -5.758 13.831 1.00 0.00 H new ATOM 0 HB3 ARG A 54 85.821 -4.117 13.626 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.949 -4.481 15.126 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.173 -6.219 15.104 1.00 0.00 H new ATOM 0 HD2 ARG A 54 86.324 -6.018 16.287 1.00 0.00 H new ATOM 0 HD3 ARG A 54 86.274 -4.270 16.170 1.00 0.00 H new ATOM 0 HE ARG A 54 83.959 -4.688 17.508 1.00 0.00 H new ATOM 0 HH11 ARG A 54 87.140 -6.139 17.817 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.969 -6.451 19.548 1.00 0.00 H new ATOM 0 HH21 ARG A 54 83.750 -5.100 19.726 1.00 0.00 H new ATOM 0 HH22 ARG A 54 85.067 -5.868 20.618 1.00 0.00 H new ATOM 823 N ARG A 55 84.566 -8.009 12.895 1.00 0.00 N ATOM 824 CA ARG A 55 84.893 -9.395 12.581 1.00 0.00 C ATOM 825 C ARG A 55 86.387 -9.548 12.313 1.00 0.00 C ATOM 826 O ARG A 55 86.852 -9.338 11.194 1.00 0.00 O ATOM 827 CB ARG A 55 84.102 -9.853 11.355 1.00 0.00 C ATOM 828 CG ARG A 55 83.930 -11.373 11.395 1.00 0.00 C ATOM 829 CD ARG A 55 83.105 -11.826 10.189 1.00 0.00 C ATOM 830 NE ARG A 55 81.681 -11.715 10.480 1.00 0.00 N ATOM 831 CZ ARG A 55 81.084 -12.552 11.324 1.00 0.00 C ATOM 832 NH1 ARG A 55 81.776 -13.495 11.903 1.00 0.00 N ATOM 833 NH2 ARG A 55 79.808 -12.431 11.571 1.00 0.00 N ATOM 0 H ARG A 55 83.952 -7.890 13.701 1.00 0.00 H new ATOM 0 HA ARG A 55 84.626 -10.014 13.438 1.00 0.00 H new ATOM 0 HB2 ARG A 55 83.127 -9.367 11.336 1.00 0.00 H new ATOM 0 HB3 ARG A 55 84.622 -9.559 10.443 1.00 0.00 H new ATOM 0 HG2 ARG A 55 84.905 -11.860 11.385 1.00 0.00 H new ATOM 0 HG3 ARG A 55 83.435 -11.669 12.320 1.00 0.00 H new ATOM 0 HD2 ARG A 55 83.354 -11.217 9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 55 83.352 -12.857 9.937 1.00 0.00 H new ATOM 0 HE ARG A 55 81.133 -10.983 10.029 1.00 0.00 H new ATOM 0 HH11 ARG A 55 82.773 -13.589 11.708 1.00 0.00 H new ATOM 0 HH12 ARG A 55 81.320 -14.138 12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 55 79.268 -11.694 11.117 1.00 0.00 H new ATOM 0 HH22 ARG A 55 79.351 -13.073 12.218 1.00 0.00 H new ATOM 847 N LYS A 56 87.133 -9.916 13.351 1.00 0.00 N ATOM 848 CA LYS A 56 88.575 -10.096 13.220 1.00 0.00 C ATOM 849 C LYS A 56 89.024 -11.359 13.949 1.00 0.00 C ATOM 850 O LYS A 56 88.946 -11.441 15.174 1.00 0.00 O ATOM 851 CB LYS A 56 89.307 -8.884 13.798 1.00 0.00 C ATOM 852 CG LYS A 56 90.570 -8.608 12.978 1.00 0.00 C ATOM 853 CD LYS A 56 91.515 -9.809 13.071 1.00 0.00 C ATOM 854 CE LYS A 56 92.834 -9.477 12.372 1.00 0.00 C ATOM 855 NZ LYS A 56 93.920 -10.329 12.932 1.00 0.00 N ATOM 0 H LYS A 56 86.766 -10.094 14.286 1.00 0.00 H new ATOM 0 HA LYS A 56 88.816 -10.195 12.162 1.00 0.00 H new ATOM 0 HB2 LYS A 56 88.654 -8.011 13.784 1.00 0.00 H new ATOM 0 HB3 LYS A 56 89.570 -9.068 14.840 1.00 0.00 H new ATOM 0 HG2 LYS A 56 90.306 -8.420 11.937 1.00 0.00 H new ATOM 0 HG3 LYS A 56 91.067 -7.711 13.348 1.00 0.00 H new ATOM 0 HD2 LYS A 56 91.698 -10.061 14.116 1.00 0.00 H new ATOM 0 HD3 LYS A 56 91.056 -10.683 12.608 1.00 0.00 H new ATOM 0 HE2 LYS A 56 92.742 -9.645 11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 56 93.076 -8.423 12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 94.818 -10.104 12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 94.013 -10.147 13.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 93.689 -11.331 12.778 1.00 0.00 H new ATOM 869 N GLY A 57 89.494 -12.341 13.187 1.00 0.00 N ATOM 870 CA GLY A 57 89.952 -13.596 13.772 1.00 0.00 C ATOM 871 C GLY A 57 89.135 -14.770 13.248 1.00 0.00 C ATOM 872 O GLY A 57 88.573 -15.544 14.024 1.00 0.00 O ATOM 0 H GLY A 57 89.568 -12.293 12.171 1.00 0.00 H new ATOM 0 HA2 GLY A 57 91.006 -13.748 13.538 1.00 0.00 H new ATOM 0 HA3 GLY A 57 89.871 -13.547 14.858 1.00 0.00 H new ATOM 876 N ASP A 58 89.072 -14.898 11.928 1.00 0.00 N ATOM 877 CA ASP A 58 88.318 -15.983 11.310 1.00 0.00 C ATOM 878 C ASP A 58 88.686 -16.121 9.836 1.00 0.00 C ATOM 879 O ASP A 58 89.667 -15.539 9.374 1.00 0.00 O ATOM 880 CB ASP A 58 86.818 -15.717 11.442 1.00 0.00 C ATOM 881 CG ASP A 58 86.165 -16.815 12.273 1.00 0.00 C ATOM 882 OD1 ASP A 58 86.265 -16.751 13.487 1.00 0.00 O ATOM 883 OD2 ASP A 58 85.574 -17.704 11.684 1.00 0.00 O ATOM 0 H ASP A 58 89.530 -14.269 11.269 1.00 0.00 H new ATOM 0 HA ASP A 58 88.568 -16.912 11.822 1.00 0.00 H new ATOM 0 HB2 ASP A 58 86.652 -14.747 11.911 1.00 0.00 H new ATOM 0 HB3 ASP A 58 86.359 -15.676 10.454 1.00 0.00 H new ATOM 888 N ALA A 59 87.889 -16.893 9.105 1.00 0.00 N ATOM 889 CA ALA A 59 88.138 -17.101 7.683 1.00 0.00 C ATOM 890 C ALA A 59 89.534 -17.679 7.463 1.00 0.00 C ATOM 891 O ALA A 59 90.161 -17.434 6.432 1.00 0.00 O ATOM 892 CB ALA A 59 88.006 -15.776 6.929 1.00 0.00 C ATOM 0 H ALA A 59 87.071 -17.382 9.470 1.00 0.00 H new ATOM 0 HA ALA A 59 87.400 -17.808 7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 59 88.194 -15.941 5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 59 86.999 -15.380 7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 59 88.731 -15.062 7.319 1.00 0.00 H new ATOM 898 N GLY A 60 90.013 -18.445 8.437 1.00 0.00 N ATOM 899 CA GLY A 60 91.336 -19.052 8.337 1.00 0.00 C ATOM 900 C GLY A 60 92.417 -17.986 8.195 1.00 0.00 C ATOM 901 O GLY A 60 93.533 -18.272 7.763 1.00 0.00 O ATOM 0 H GLY A 60 89.510 -18.659 9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 60 91.531 -19.657 9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 60 91.368 -19.724 7.479 1.00 0.00 H new ATOM 905 N GLY A 61 92.077 -16.754 8.560 1.00 0.00 N ATOM 906 CA GLY A 61 93.026 -15.651 8.469 1.00 0.00 C ATOM 907 C GLY A 61 92.500 -14.558 7.546 1.00 0.00 C ATOM 908 O GLY A 61 92.443 -14.734 6.329 1.00 0.00 O ATOM 0 H GLY A 61 91.158 -16.496 8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 61 93.207 -15.239 9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 61 93.982 -16.018 8.097 1.00 0.00 H new ATOM 912 N LEU A 62 92.114 -13.429 8.133 1.00 0.00 N ATOM 913 CA LEU A 62 91.591 -12.313 7.355 1.00 0.00 C ATOM 914 C LEU A 62 92.685 -11.702 6.487 1.00 0.00 C ATOM 915 O LEU A 62 93.820 -11.529 6.930 1.00 0.00 O ATOM 916 CB LEU A 62 91.024 -11.247 8.293 1.00 0.00 C ATOM 917 CG LEU A 62 89.497 -11.290 8.248 1.00 0.00 C ATOM 918 CD1 LEU A 62 89.015 -12.695 8.612 1.00 0.00 C ATOM 919 CD2 LEU A 62 88.928 -10.282 9.250 1.00 0.00 C ATOM 0 H LEU A 62 92.153 -13.264 9.139 1.00 0.00 H new ATOM 0 HA LEU A 62 90.799 -12.686 6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 62 91.374 -11.420 9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 62 91.380 -10.260 7.997 1.00 0.00 H new ATOM 0 HG LEU A 62 89.157 -11.037 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 62 87.926 -12.726 8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 62 89.419 -13.414 7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 62 89.356 -12.948 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 62 87.839 -10.312 9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 62 89.269 -10.535 10.254 1.00 0.00 H new ATOM 0 HD23 LEU A 62 89.271 -9.280 8.992 1.00 0.00 H new ATOM 931 N LYS A 63 92.333 -11.373 5.248 1.00 0.00 N ATOM 932 CA LYS A 63 93.290 -10.776 4.323 1.00 0.00 C ATOM 933 C LYS A 63 92.650 -9.608 3.583 1.00 0.00 C ATOM 934 O LYS A 63 93.217 -8.518 3.515 1.00 0.00 O ATOM 935 CB LYS A 63 93.771 -11.826 3.320 1.00 0.00 C ATOM 936 CG LYS A 63 94.004 -13.154 4.044 1.00 0.00 C ATOM 937 CD LYS A 63 94.469 -14.209 3.039 1.00 0.00 C ATOM 938 CE LYS A 63 94.060 -15.599 3.531 1.00 0.00 C ATOM 939 NZ LYS A 63 92.577 -15.731 3.473 1.00 0.00 N ATOM 0 H LYS A 63 91.398 -11.509 4.863 1.00 0.00 H new ATOM 0 HA LYS A 63 94.144 -10.407 4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 63 93.031 -11.955 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 63 94.693 -11.493 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 63 94.752 -13.027 4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.085 -13.481 4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.029 -14.014 2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.551 -14.159 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.528 -16.367 2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 63 94.410 -15.752 4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 92.323 -16.725 3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 92.165 -15.418 4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 92.206 -15.142 2.700 1.00 0.00 H new ATOM 953 N SER A 64 91.461 -9.842 3.035 1.00 0.00 N ATOM 954 CA SER A 64 90.752 -8.797 2.310 1.00 0.00 C ATOM 955 C SER A 64 90.283 -7.713 3.276 1.00 0.00 C ATOM 956 O SER A 64 90.124 -6.553 2.896 1.00 0.00 O ATOM 957 CB SER A 64 89.546 -9.389 1.578 1.00 0.00 C ATOM 958 OG SER A 64 89.474 -10.783 1.845 1.00 0.00 O ATOM 0 H SER A 64 90.974 -10.737 3.079 1.00 0.00 H new ATOM 0 HA SER A 64 91.432 -8.357 1.581 1.00 0.00 H new ATOM 0 HB2 SER A 64 88.630 -8.897 1.904 1.00 0.00 H new ATOM 0 HB3 SER A 64 89.636 -9.216 0.506 1.00 0.00 H new ATOM 0 HG SER A 64 88.701 -11.166 1.379 1.00 0.00 H new ATOM 964 N PHE A 65 90.070 -8.101 4.529 1.00 0.00 N ATOM 965 CA PHE A 65 89.626 -7.156 5.547 1.00 0.00 C ATOM 966 C PHE A 65 90.740 -6.168 5.873 1.00 0.00 C ATOM 967 O PHE A 65 90.488 -4.987 6.107 1.00 0.00 O ATOM 968 CB PHE A 65 89.215 -7.904 6.816 1.00 0.00 C ATOM 969 CG PHE A 65 89.069 -6.920 7.952 1.00 0.00 C ATOM 970 CD1 PHE A 65 90.188 -6.559 8.712 1.00 0.00 C ATOM 971 CD2 PHE A 65 87.817 -6.368 8.245 1.00 0.00 C ATOM 972 CE1 PHE A 65 90.055 -5.647 9.765 1.00 0.00 C ATOM 973 CE2 PHE A 65 87.683 -5.456 9.297 1.00 0.00 C ATOM 974 CZ PHE A 65 88.801 -5.095 10.058 1.00 0.00 C ATOM 0 H PHE A 65 90.197 -9.057 4.862 1.00 0.00 H new ATOM 0 HA PHE A 65 88.767 -6.608 5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.275 -8.430 6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 65 89.962 -8.657 7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 65 91.154 -6.985 8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 65 86.954 -6.646 7.659 1.00 0.00 H new ATOM 0 HE1 PHE A 65 90.918 -5.369 10.351 1.00 0.00 H new ATOM 0 HE2 PHE A 65 86.716 -5.030 9.522 1.00 0.00 H new ATOM 0 HZ PHE A 65 88.697 -4.391 10.871 1.00 0.00 H new ATOM 984 N THR A 66 91.974 -6.658 5.883 1.00 0.00 N ATOM 985 CA THR A 66 93.118 -5.805 6.179 1.00 0.00 C ATOM 986 C THR A 66 93.196 -4.662 5.174 1.00 0.00 C ATOM 987 O THR A 66 93.645 -3.565 5.502 1.00 0.00 O ATOM 988 CB THR A 66 94.411 -6.622 6.133 1.00 0.00 C ATOM 989 OG1 THR A 66 94.102 -8.001 6.283 1.00 0.00 O ATOM 990 CG2 THR A 66 95.337 -6.180 7.266 1.00 0.00 C ATOM 0 H THR A 66 92.207 -7.632 5.691 1.00 0.00 H new ATOM 0 HA THR A 66 92.993 -5.391 7.180 1.00 0.00 H new ATOM 0 HB THR A 66 94.909 -6.461 5.177 1.00 0.00 H new ATOM 0 HG1 THR A 66 93.916 -8.392 5.404 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.257 -6.763 7.232 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.573 -5.122 7.151 1.00 0.00 H new ATOM 0 HG23 THR A 66 94.842 -6.340 8.224 1.00 0.00 H new ATOM 998 N THR A 67 92.748 -4.926 3.951 1.00 0.00 N ATOM 999 CA THR A 67 92.764 -3.910 2.912 1.00 0.00 C ATOM 1000 C THR A 67 91.688 -2.867 3.178 1.00 0.00 C ATOM 1001 O THR A 67 91.904 -1.672 2.980 1.00 0.00 O ATOM 1002 CB THR A 67 92.507 -4.550 1.556 1.00 0.00 C ATOM 1003 OG1 THR A 67 92.336 -5.951 1.719 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.686 -4.280 0.619 1.00 0.00 C ATOM 0 H THR A 67 92.373 -5.828 3.659 1.00 0.00 H new ATOM 0 HA THR A 67 93.743 -3.430 2.914 1.00 0.00 H new ATOM 0 HB THR A 67 91.604 -4.121 1.122 1.00 0.00 H new ATOM 0 HG1 THR A 67 91.398 -6.144 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 67 93.494 -4.742 -0.350 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.810 -3.205 0.490 1.00 0.00 H new ATOM 0 HG23 THR A 67 94.595 -4.701 1.048 1.00 0.00 H new ATOM 1012 N MET A 68 90.523 -3.326 3.628 1.00 0.00 N ATOM 1013 CA MET A 68 89.428 -2.411 3.912 1.00 0.00 C ATOM 1014 C MET A 68 89.930 -1.286 4.803 1.00 0.00 C ATOM 1015 O MET A 68 89.481 -0.149 4.693 1.00 0.00 O ATOM 1016 CB MET A 68 88.277 -3.147 4.602 1.00 0.00 C ATOM 1017 CG MET A 68 87.459 -3.915 3.561 1.00 0.00 C ATOM 1018 SD MET A 68 86.612 -2.742 2.472 1.00 0.00 S ATOM 1019 CE MET A 68 84.960 -2.915 3.192 1.00 0.00 C ATOM 0 H MET A 68 90.317 -4.310 3.801 1.00 0.00 H new ATOM 0 HA MET A 68 89.059 -1.998 2.973 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.669 -3.835 5.351 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.640 -2.435 5.127 1.00 0.00 H new ATOM 0 HG2 MET A 68 88.112 -4.564 2.977 1.00 0.00 H new ATOM 0 HG3 MET A 68 86.731 -4.558 4.057 1.00 0.00 H new ATOM 0 HE1 MET A 68 84.270 -2.240 2.685 1.00 0.00 H new ATOM 0 HE2 MET A 68 84.617 -3.943 3.072 1.00 0.00 H new ATOM 0 HE3 MET A 68 84.998 -2.666 4.253 1.00 0.00 H new ATOM 1029 N GLN A 69 90.880 -1.611 5.675 1.00 0.00 N ATOM 1030 CA GLN A 69 91.452 -0.613 6.568 1.00 0.00 C ATOM 1031 C GLN A 69 92.492 0.220 5.825 1.00 0.00 C ATOM 1032 O GLN A 69 92.838 1.323 6.250 1.00 0.00 O ATOM 1033 CB GLN A 69 92.106 -1.297 7.770 1.00 0.00 C ATOM 1034 CG GLN A 69 91.027 -1.725 8.767 1.00 0.00 C ATOM 1035 CD GLN A 69 90.724 -0.583 9.729 1.00 0.00 C ATOM 1036 OE1 GLN A 69 89.727 0.220 9.481 1.00 0.00 O flip ATOM 1037 NE2 GLN A 69 91.415 -0.418 10.735 1.00 0.00 N flip ATOM 0 H GLN A 69 91.266 -2.549 5.781 1.00 0.00 H new ATOM 0 HA GLN A 69 90.653 0.041 6.919 1.00 0.00 H new ATOM 0 HB2 GLN A 69 92.676 -2.166 7.441 1.00 0.00 H new ATOM 0 HB3 GLN A 69 92.810 -0.617 8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 69 90.121 -2.012 8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 69 91.361 -2.601 9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 69 92.194 -1.047 10.927 1.00 0.00 H new ATOM 0 HE22 GLN A 69 91.208 0.348 11.376 1.00 0.00 H new ATOM 1046 N THR A 70 92.996 -0.321 4.717 1.00 0.00 N ATOM 1047 CA THR A 70 94.007 0.377 3.929 1.00 0.00 C ATOM 1048 C THR A 70 93.376 1.446 3.038 1.00 0.00 C ATOM 1049 O THR A 70 93.830 2.590 3.025 1.00 0.00 O ATOM 1050 CB THR A 70 94.778 -0.620 3.060 1.00 0.00 C ATOM 1051 OG1 THR A 70 95.541 -1.480 3.894 1.00 0.00 O ATOM 1052 CG2 THR A 70 95.711 0.140 2.117 1.00 0.00 C ATOM 0 H THR A 70 92.723 -1.232 4.348 1.00 0.00 H new ATOM 0 HA THR A 70 94.691 0.865 4.623 1.00 0.00 H new ATOM 0 HB THR A 70 94.076 -1.212 2.473 1.00 0.00 H new ATOM 0 HG1 THR A 70 94.941 -2.095 4.366 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.260 -0.570 1.498 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.124 0.800 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.415 0.732 2.701 1.00 0.00 H new ATOM 1060 N ALA A 71 92.339 1.078 2.288 1.00 0.00 N ATOM 1061 CA ALA A 71 91.689 2.046 1.402 1.00 0.00 C ATOM 1062 C ALA A 71 90.881 3.067 2.202 1.00 0.00 C ATOM 1063 O ALA A 71 90.796 4.233 1.823 1.00 0.00 O ATOM 1064 CB ALA A 71 90.769 1.335 0.407 1.00 0.00 C ATOM 0 H ALA A 71 91.937 0.141 2.273 1.00 0.00 H new ATOM 0 HA ALA A 71 92.473 2.569 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 71 90.296 2.072 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 71 91.354 0.641 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 71 90.001 0.784 0.951 1.00 0.00 H new ATOM 1070 N LEU A 72 90.284 2.630 3.303 1.00 0.00 N ATOM 1071 CA LEU A 72 89.485 3.532 4.125 1.00 0.00 C ATOM 1072 C LEU A 72 90.295 4.758 4.530 1.00 0.00 C ATOM 1073 O LEU A 72 89.882 5.890 4.290 1.00 0.00 O ATOM 1074 CB LEU A 72 88.998 2.811 5.384 1.00 0.00 C ATOM 1075 CG LEU A 72 87.534 2.391 5.212 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.346 1.684 3.864 1.00 0.00 C ATOM 1077 CD2 LEU A 72 87.144 1.436 6.344 1.00 0.00 C ATOM 0 H LEU A 72 90.335 1.670 3.645 1.00 0.00 H new ATOM 0 HA LEU A 72 88.628 3.853 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 72 89.617 1.934 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 72 89.098 3.465 6.250 1.00 0.00 H new ATOM 0 HG LEU A 72 86.901 3.278 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 72 86.303 1.389 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.622 2.362 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.980 0.798 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 72 86.103 1.136 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 72 87.782 0.553 6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 72 87.268 1.939 7.303 1.00 0.00 H new ATOM 1089 N ASN A 73 91.447 4.528 5.149 1.00 0.00 N ATOM 1090 CA ASN A 73 92.300 5.628 5.588 1.00 0.00 C ATOM 1091 C ASN A 73 93.007 6.285 4.406 1.00 0.00 C ATOM 1092 O ASN A 73 93.180 7.503 4.374 1.00 0.00 O ATOM 1093 CB ASN A 73 93.338 5.113 6.586 1.00 0.00 C ATOM 1094 CG ASN A 73 92.661 4.767 7.909 1.00 0.00 C ATOM 1095 OD1 ASN A 73 91.390 4.472 7.923 1.00 0.00 O flip ATOM 1096 ND2 ASN A 73 93.309 4.764 8.956 1.00 0.00 N flip ATOM 0 H ASN A 73 91.811 3.598 5.357 1.00 0.00 H new ATOM 0 HA ASN A 73 91.668 6.376 6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 73 93.838 4.232 6.182 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.106 5.869 6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 73 94.302 4.995 8.942 1.00 0.00 H new ATOM 0 HD22 ASN A 73 92.852 4.530 9.838 1.00 0.00 H new ATOM 1103 N SER A 74 93.423 5.473 3.441 1.00 0.00 N ATOM 1104 CA SER A 74 94.119 5.990 2.266 1.00 0.00 C ATOM 1105 C SER A 74 93.167 6.765 1.356 1.00 0.00 C ATOM 1106 O SER A 74 93.406 7.932 1.045 1.00 0.00 O ATOM 1107 CB SER A 74 94.750 4.838 1.484 1.00 0.00 C ATOM 1108 OG SER A 74 95.669 5.363 0.536 1.00 0.00 O ATOM 0 H SER A 74 93.292 4.461 3.447 1.00 0.00 H new ATOM 0 HA SER A 74 94.898 6.671 2.609 1.00 0.00 H new ATOM 0 HB2 SER A 74 95.261 4.158 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 74 93.977 4.261 0.977 1.00 0.00 H new ATOM 0 HG SER A 74 95.712 4.768 -0.242 1.00 0.00 H new ATOM 1114 N LEU A 75 92.095 6.107 0.924 1.00 0.00 N ATOM 1115 CA LEU A 75 91.122 6.745 0.041 1.00 0.00 C ATOM 1116 C LEU A 75 90.462 7.941 0.724 1.00 0.00 C ATOM 1117 O LEU A 75 90.051 8.893 0.062 1.00 0.00 O ATOM 1118 CB LEU A 75 90.055 5.727 -0.389 1.00 0.00 C ATOM 1119 CG LEU A 75 88.856 5.771 0.571 1.00 0.00 C ATOM 1120 CD1 LEU A 75 87.911 6.922 0.198 1.00 0.00 C ATOM 1121 CD2 LEU A 75 88.093 4.448 0.480 1.00 0.00 C ATOM 0 H LEU A 75 91.878 5.141 1.168 1.00 0.00 H new ATOM 0 HA LEU A 75 91.649 7.107 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 75 89.724 5.944 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 75 90.483 4.725 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 75 89.221 5.928 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 75 87.067 6.938 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 75 88.448 7.868 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 75 87.545 6.778 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 75 87.241 4.472 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 75 87.740 4.301 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 75 88.754 3.627 0.757 1.00 0.00 H new ATOM 1133 N ALA A 76 90.361 7.889 2.049 1.00 0.00 N ATOM 1134 CA ALA A 76 89.743 8.981 2.795 1.00 0.00 C ATOM 1135 C ALA A 76 90.656 10.200 2.813 1.00 0.00 C ATOM 1136 O ALA A 76 90.266 11.286 2.381 1.00 0.00 O ATOM 1137 CB ALA A 76 89.450 8.542 4.231 1.00 0.00 C ATOM 0 H ALA A 76 90.694 7.114 2.622 1.00 0.00 H new ATOM 0 HA ALA A 76 88.808 9.245 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 76 88.989 9.366 4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.771 7.690 4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 76 90.381 8.258 4.722 1.00 0.00 H new ATOM 1143 N GLY A 77 91.872 10.015 3.314 1.00 0.00 N ATOM 1144 CA GLY A 77 92.831 11.109 3.380 1.00 0.00 C ATOM 1145 C GLY A 77 93.011 11.754 2.011 1.00 0.00 C ATOM 1146 O GLY A 77 93.130 12.974 1.900 1.00 0.00 O ATOM 0 H GLY A 77 92.214 9.125 3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 77 92.489 11.856 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 77 93.790 10.737 3.741 1.00 0.00 H new ATOM 1150 N TYR A 78 93.033 10.927 0.971 1.00 0.00 N ATOM 1151 CA TYR A 78 93.202 11.429 -0.386 1.00 0.00 C ATOM 1152 C TYR A 78 91.924 12.101 -0.883 1.00 0.00 C ATOM 1153 O TYR A 78 91.974 13.154 -1.519 1.00 0.00 O ATOM 1154 CB TYR A 78 93.575 10.281 -1.325 1.00 0.00 C ATOM 1155 CG TYR A 78 95.078 10.194 -1.431 1.00 0.00 C ATOM 1156 CD1 TYR A 78 95.801 11.253 -1.992 1.00 0.00 C ATOM 1157 CD2 TYR A 78 95.750 9.057 -0.965 1.00 0.00 C ATOM 1158 CE1 TYR A 78 97.196 11.176 -2.088 1.00 0.00 C ATOM 1159 CE2 TYR A 78 97.144 8.979 -1.061 1.00 0.00 C ATOM 1160 CZ TYR A 78 97.867 10.039 -1.623 1.00 0.00 C ATOM 1161 OH TYR A 78 99.242 9.964 -1.716 1.00 0.00 O ATOM 0 H TYR A 78 92.937 9.914 1.041 1.00 0.00 H new ATOM 0 HA TYR A 78 94.002 12.169 -0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 78 93.170 9.342 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 78 93.138 10.445 -2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 78 95.283 12.130 -2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 78 95.192 8.240 -0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 78 97.754 11.993 -2.521 1.00 0.00 H new ATOM 0 HE2 TYR A 78 97.662 8.102 -0.702 1.00 0.00 H new ATOM 0 HH TYR A 78 99.549 9.110 -1.347 1.00 0.00 H new ATOM 1171 N TYR A 79 90.783 11.485 -0.595 1.00 0.00 N ATOM 1172 CA TYR A 79 89.502 12.035 -1.026 1.00 0.00 C ATOM 1173 C TYR A 79 88.779 12.706 0.138 1.00 0.00 C ATOM 1174 O TYR A 79 87.552 12.649 0.237 1.00 0.00 O ATOM 1175 CB TYR A 79 88.629 10.920 -1.607 1.00 0.00 C ATOM 1176 CG TYR A 79 88.066 11.362 -2.935 1.00 0.00 C ATOM 1177 CD1 TYR A 79 87.374 12.574 -3.034 1.00 0.00 C ATOM 1178 CD2 TYR A 79 88.238 10.559 -4.069 1.00 0.00 C ATOM 1179 CE1 TYR A 79 86.853 12.984 -4.266 1.00 0.00 C ATOM 1180 CE2 TYR A 79 87.717 10.969 -5.302 1.00 0.00 C ATOM 1181 CZ TYR A 79 87.024 12.182 -5.400 1.00 0.00 C ATOM 1182 OH TYR A 79 86.510 12.586 -6.615 1.00 0.00 O ATOM 0 H TYR A 79 90.718 10.613 -0.070 1.00 0.00 H new ATOM 0 HA TYR A 79 89.690 12.787 -1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 79 89.218 10.011 -1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 79 87.819 10.681 -0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 79 87.242 13.193 -2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 79 88.772 9.624 -3.993 1.00 0.00 H new ATOM 0 HE1 TYR A 79 86.319 13.920 -4.342 1.00 0.00 H new ATOM 0 HE2 TYR A 79 87.849 10.350 -6.177 1.00 0.00 H new ATOM 0 HH TYR A 79 86.718 11.915 -7.298 1.00 0.00 H new ATOM 1192 N THR A 80 89.544 13.348 1.014 1.00 0.00 N ATOM 1193 CA THR A 80 88.960 14.030 2.164 1.00 0.00 C ATOM 1194 C THR A 80 88.146 15.239 1.712 1.00 0.00 C ATOM 1195 O THR A 80 86.960 15.350 2.021 1.00 0.00 O ATOM 1196 CB THR A 80 90.066 14.487 3.118 1.00 0.00 C ATOM 1197 OG1 THR A 80 90.850 13.367 3.500 1.00 0.00 O ATOM 1198 CG2 THR A 80 89.439 15.120 4.362 1.00 0.00 C ATOM 0 H THR A 80 90.560 13.411 0.952 1.00 0.00 H new ATOM 0 HA THR A 80 88.300 13.332 2.680 1.00 0.00 H new ATOM 0 HB THR A 80 90.698 15.221 2.618 1.00 0.00 H new ATOM 0 HG1 THR A 80 90.324 12.547 3.391 1.00 0.00 H new ATOM 0 HG21 THR A 80 90.227 15.445 5.041 1.00 0.00 H new ATOM 0 HG22 THR A 80 88.836 15.979 4.068 1.00 0.00 H new ATOM 0 HG23 THR A 80 88.807 14.387 4.864 1.00 0.00 H new ATOM 1206 N SER A 81 88.791 16.141 0.977 1.00 0.00 N ATOM 1207 CA SER A 81 88.114 17.337 0.489 1.00 0.00 C ATOM 1208 C SER A 81 88.940 18.018 -0.598 1.00 0.00 C ATOM 1209 O SER A 81 88.585 19.095 -1.077 1.00 0.00 O ATOM 1210 CB SER A 81 87.884 18.312 1.643 1.00 0.00 C ATOM 1211 OG SER A 81 88.678 17.922 2.755 1.00 0.00 O ATOM 0 H SER A 81 89.772 16.067 0.709 1.00 0.00 H new ATOM 0 HA SER A 81 87.154 17.040 0.066 1.00 0.00 H new ATOM 0 HB2 SER A 81 88.143 19.325 1.335 1.00 0.00 H new ATOM 0 HB3 SER A 81 86.830 18.322 1.920 1.00 0.00 H new ATOM 0 HG SER A 81 88.533 18.547 3.496 1.00 0.00 H new ATOM 1217 N TYR A 82 90.041 17.382 -0.986 1.00 0.00 N ATOM 1218 CA TYR A 82 90.906 17.939 -2.020 1.00 0.00 C ATOM 1219 C TYR A 82 90.754 17.160 -3.321 1.00 0.00 C ATOM 1220 O TYR A 82 90.165 17.651 -4.285 1.00 0.00 O ATOM 1221 CB TYR A 82 92.366 17.895 -1.564 1.00 0.00 C ATOM 1222 CG TYR A 82 93.270 18.090 -2.758 1.00 0.00 C ATOM 1223 CD1 TYR A 82 93.237 19.296 -3.470 1.00 0.00 C ATOM 1224 CD2 TYR A 82 94.141 17.067 -3.155 1.00 0.00 C ATOM 1225 CE1 TYR A 82 94.076 19.479 -4.576 1.00 0.00 C ATOM 1226 CE2 TYR A 82 94.978 17.250 -4.261 1.00 0.00 C ATOM 1227 CZ TYR A 82 94.946 18.456 -4.972 1.00 0.00 C ATOM 1228 OH TYR A 82 95.771 18.637 -6.063 1.00 0.00 O ATOM 0 H TYR A 82 90.353 16.489 -0.604 1.00 0.00 H new ATOM 0 HA TYR A 82 90.612 18.975 -2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 82 92.551 18.673 -0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 82 92.580 16.940 -1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 82 92.565 20.084 -3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 82 94.166 16.137 -2.607 1.00 0.00 H new ATOM 0 HE1 TYR A 82 94.052 20.409 -5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 82 95.649 16.461 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 82 96.312 17.831 -6.202 1.00 0.00 H new ATOM 1238 N GLY A 83 91.288 15.944 -3.344 1.00 0.00 N ATOM 1239 CA GLY A 83 91.205 15.106 -4.534 1.00 0.00 C ATOM 1240 C GLY A 83 89.775 15.044 -5.056 1.00 0.00 C ATOM 1241 O GLY A 83 88.872 14.564 -4.369 1.00 0.00 O ATOM 0 H GLY A 83 91.780 15.519 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 83 91.862 15.501 -5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 83 91.555 14.100 -4.301 1.00 0.00 H new ATOM 1245 N ALA A 84 89.575 15.533 -6.274 1.00 0.00 N ATOM 1246 CA ALA A 84 88.257 15.533 -6.884 1.00 0.00 C ATOM 1247 C ALA A 84 88.310 14.863 -8.248 1.00 0.00 C ATOM 1248 O ALA A 84 88.818 13.750 -8.389 1.00 0.00 O ATOM 1249 CB ALA A 84 87.757 16.974 -7.022 1.00 0.00 C ATOM 0 H ALA A 84 90.310 15.934 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 84 87.569 14.974 -6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 84 86.768 16.974 -7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 84 87.700 17.435 -6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 84 88.447 17.540 -7.648 1.00 0.00 H new ATOM 1255 N ARG A 85 87.784 15.553 -9.240 1.00 0.00 N ATOM 1256 CA ARG A 85 87.764 15.039 -10.605 1.00 0.00 C ATOM 1257 C ARG A 85 89.005 14.189 -10.887 1.00 0.00 C ATOM 1258 O ARG A 85 88.887 13.008 -11.215 1.00 0.00 O ATOM 1259 CB ARG A 85 87.687 16.198 -11.603 1.00 0.00 C ATOM 1260 CG ARG A 85 86.280 16.265 -12.199 1.00 0.00 C ATOM 1261 CD ARG A 85 86.133 17.551 -13.015 1.00 0.00 C ATOM 1262 NE ARG A 85 85.084 17.398 -14.019 1.00 0.00 N ATOM 1263 CZ ARG A 85 83.802 17.355 -13.671 1.00 0.00 C ATOM 1264 NH1 ARG A 85 83.463 17.444 -12.414 1.00 0.00 N ATOM 1265 NH2 ARG A 85 82.883 17.225 -14.588 1.00 0.00 N ATOM 0 H ARG A 85 87.362 16.475 -9.131 1.00 0.00 H new ATOM 0 HA ARG A 85 86.882 14.408 -10.719 1.00 0.00 H new ATOM 0 HB2 ARG A 85 87.928 17.137 -11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 85 88.423 16.059 -12.395 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.100 15.397 -12.833 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.535 16.239 -11.404 1.00 0.00 H new ATOM 0 HD2 ARG A 85 85.894 18.384 -12.354 1.00 0.00 H new ATOM 0 HD3 ARG A 85 87.079 17.791 -13.501 1.00 0.00 H new ATOM 0 HE ARG A 85 85.339 17.323 -15.004 1.00 0.00 H new ATOM 0 HH11 ARG A 85 84.182 17.547 -11.698 1.00 0.00 H new ATOM 0 HH12 ARG A 85 82.479 17.411 -12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 85 83.149 17.157 -15.570 1.00 0.00 H new ATOM 0 HH22 ARG A 85 81.899 17.192 -14.323 1.00 0.00 H new ATOM 1279 N PRO A 86 90.183 14.753 -10.763 1.00 0.00 N ATOM 1280 CA PRO A 86 91.453 14.006 -11.008 1.00 0.00 C ATOM 1281 C PRO A 86 91.707 12.944 -9.941 1.00 0.00 C ATOM 1282 O PRO A 86 91.642 13.227 -8.744 1.00 0.00 O ATOM 1283 CB PRO A 86 92.533 15.089 -10.970 1.00 0.00 C ATOM 1284 CG PRO A 86 91.952 16.199 -10.159 1.00 0.00 C ATOM 1285 CD PRO A 86 90.440 16.152 -10.378 1.00 0.00 C ATOM 0 HA PRO A 86 91.430 13.461 -11.952 1.00 0.00 H new ATOM 0 HB2 PRO A 86 93.451 14.712 -10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 86 92.786 15.427 -11.975 1.00 0.00 H new ATOM 0 HG2 PRO A 86 92.195 16.076 -9.104 1.00 0.00 H new ATOM 0 HG3 PRO A 86 92.359 17.161 -10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 86 89.896 16.424 -9.473 1.00 0.00 H new ATOM 0 HD3 PRO A 86 90.127 16.845 -11.159 1.00 0.00 H new ATOM 1293 N ILE A 87 91.991 11.722 -10.381 1.00 0.00 N ATOM 1294 CA ILE A 87 92.246 10.624 -9.453 1.00 0.00 C ATOM 1295 C ILE A 87 93.705 10.167 -9.535 1.00 0.00 C ATOM 1296 O ILE A 87 94.048 9.332 -10.372 1.00 0.00 O ATOM 1297 CB ILE A 87 91.335 9.443 -9.790 1.00 0.00 C ATOM 1298 CG1 ILE A 87 89.887 9.928 -9.889 1.00 0.00 C ATOM 1299 CG2 ILE A 87 91.446 8.383 -8.691 1.00 0.00 C ATOM 1300 CD1 ILE A 87 88.978 8.749 -10.236 1.00 0.00 C ATOM 0 H ILE A 87 92.050 11.467 -11.367 1.00 0.00 H new ATOM 0 HA ILE A 87 92.043 10.978 -8.442 1.00 0.00 H new ATOM 0 HB ILE A 87 91.638 9.010 -10.743 1.00 0.00 H new ATOM 0 HG12 ILE A 87 89.576 10.375 -8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 87 89.803 10.703 -10.651 1.00 0.00 H new ATOM 0 HG21 ILE A 87 90.797 7.541 -8.931 1.00 0.00 H new ATOM 0 HG22 ILE A 87 92.477 8.038 -8.621 1.00 0.00 H new ATOM 0 HG23 ILE A 87 91.143 8.815 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 87 87.946 9.094 -10.307 1.00 0.00 H new ATOM 0 HD12 ILE A 87 89.284 8.322 -11.191 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.054 7.989 -9.458 1.00 0.00 H new ATOM 1312 N PRO A 88 94.562 10.681 -8.687 1.00 0.00 N ATOM 1313 CA PRO A 88 96.002 10.288 -8.680 1.00 0.00 C ATOM 1314 C PRO A 88 96.176 8.777 -8.542 1.00 0.00 C ATOM 1315 O PRO A 88 95.361 8.106 -7.909 1.00 0.00 O ATOM 1316 CB PRO A 88 96.586 11.019 -7.467 1.00 0.00 C ATOM 1317 CG PRO A 88 95.642 12.137 -7.173 1.00 0.00 C ATOM 1318 CD PRO A 88 94.264 11.684 -7.652 1.00 0.00 C ATOM 0 HA PRO A 88 96.501 10.552 -9.612 1.00 0.00 H new ATOM 0 HB2 PRO A 88 96.676 10.348 -6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.585 11.397 -7.682 1.00 0.00 H new ATOM 0 HG2 PRO A 88 95.627 12.361 -6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 88 95.950 13.048 -7.685 1.00 0.00 H new ATOM 0 HD2 PRO A 88 93.679 11.257 -6.838 1.00 0.00 H new ATOM 0 HD3 PRO A 88 93.688 12.516 -8.056 1.00 0.00 H new ATOM 1326 N GLU A 89 97.237 8.250 -9.142 1.00 0.00 N ATOM 1327 CA GLU A 89 97.505 6.819 -9.082 1.00 0.00 C ATOM 1328 C GLU A 89 97.309 6.291 -7.664 1.00 0.00 C ATOM 1329 O GLU A 89 96.913 5.152 -7.469 1.00 0.00 O ATOM 1330 CB GLU A 89 98.936 6.534 -9.544 1.00 0.00 C ATOM 1331 CG GLU A 89 98.956 6.346 -11.062 1.00 0.00 C ATOM 1332 CD GLU A 89 100.348 6.651 -11.606 1.00 0.00 C ATOM 1333 OE1 GLU A 89 101.298 6.528 -10.851 1.00 0.00 O ATOM 1334 OE2 GLU A 89 100.443 7.002 -12.771 1.00 0.00 O ATOM 0 H GLU A 89 97.922 8.789 -9.672 1.00 0.00 H new ATOM 0 HA GLU A 89 96.803 6.312 -9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 89 99.591 7.357 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 89 99.317 5.639 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 89 98.674 5.324 -11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 89 98.222 7.003 -11.528 1.00 0.00 H new ATOM 1341 N LYS A 90 97.589 7.123 -6.674 1.00 0.00 N ATOM 1342 CA LYS A 90 97.434 6.709 -5.289 1.00 0.00 C ATOM 1343 C LYS A 90 96.000 6.275 -5.024 1.00 0.00 C ATOM 1344 O LYS A 90 95.765 5.225 -4.442 1.00 0.00 O ATOM 1345 CB LYS A 90 97.798 7.856 -4.350 1.00 0.00 C ATOM 1346 CG LYS A 90 99.304 8.118 -4.417 1.00 0.00 C ATOM 1347 CD LYS A 90 99.552 9.578 -4.802 1.00 0.00 C ATOM 1348 CE LYS A 90 101.051 9.874 -4.737 1.00 0.00 C ATOM 1349 NZ LYS A 90 101.730 9.264 -5.915 1.00 0.00 N ATOM 0 H LYS A 90 97.921 8.079 -6.801 1.00 0.00 H new ATOM 0 HA LYS A 90 98.103 5.868 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.250 8.756 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 90 97.507 7.609 -3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 90 99.765 7.902 -3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 90 99.767 7.455 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 90 99.176 9.769 -5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 90 99.010 10.240 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 90 101.220 10.951 -4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 90 101.472 9.474 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 102.737 9.522 -5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 101.637 8.229 -5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 101.290 9.615 -6.790 1.00 0.00 H new ATOM 1363 N LEU A 91 95.048 7.086 -5.470 1.00 0.00 N ATOM 1364 CA LEU A 91 93.644 6.776 -5.289 1.00 0.00 C ATOM 1365 C LEU A 91 93.253 5.675 -6.250 1.00 0.00 C ATOM 1366 O LEU A 91 92.700 4.655 -5.855 1.00 0.00 O ATOM 1367 CB LEU A 91 92.795 8.023 -5.552 1.00 0.00 C ATOM 1368 CG LEU A 91 93.025 9.041 -4.432 1.00 0.00 C ATOM 1369 CD1 LEU A 91 94.441 9.615 -4.528 1.00 0.00 C ATOM 1370 CD2 LEU A 91 92.006 10.174 -4.561 1.00 0.00 C ATOM 0 H LEU A 91 95.228 7.963 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 91 93.473 6.446 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.059 8.460 -6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 91 91.740 7.754 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 91 92.906 8.546 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 91 94.595 10.338 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 91 95.168 8.808 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 91 94.569 10.108 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 91 92.167 10.901 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 91 92.126 10.663 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 91 90.998 9.767 -4.482 1.00 0.00 H new ATOM 1382 N LYS A 92 93.557 5.892 -7.519 1.00 0.00 N ATOM 1383 CA LYS A 92 93.247 4.917 -8.537 1.00 0.00 C ATOM 1384 C LYS A 92 93.933 3.595 -8.225 1.00 0.00 C ATOM 1385 O LYS A 92 93.279 2.578 -8.118 1.00 0.00 O ATOM 1386 CB LYS A 92 93.698 5.422 -9.911 1.00 0.00 C ATOM 1387 CG LYS A 92 92.525 5.372 -10.895 1.00 0.00 C ATOM 1388 CD LYS A 92 92.172 3.915 -11.205 1.00 0.00 C ATOM 1389 CE LYS A 92 91.227 3.864 -12.407 1.00 0.00 C ATOM 1390 NZ LYS A 92 91.988 4.178 -13.649 1.00 0.00 N ATOM 0 H LYS A 92 94.017 6.735 -7.863 1.00 0.00 H new ATOM 0 HA LYS A 92 92.168 4.764 -8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 92 94.072 6.443 -9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 92 94.521 4.810 -10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 92 91.661 5.883 -10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 92 92.786 5.896 -11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 92 93.078 3.347 -11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 92 91.701 3.451 -10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 92 90.774 2.876 -12.485 1.00 0.00 H new ATOM 0 HE3 LYS A 92 90.414 4.578 -12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 91.482 3.795 -14.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 92.080 5.209 -13.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 92.934 3.750 -13.594 1.00 0.00 H new ATOM 1404 N LYS A 93 95.254 3.618 -8.081 1.00 0.00 N ATOM 1405 CA LYS A 93 96.001 2.396 -7.785 1.00 0.00 C ATOM 1406 C LYS A 93 95.510 1.744 -6.507 1.00 0.00 C ATOM 1407 O LYS A 93 95.340 0.529 -6.452 1.00 0.00 O ATOM 1408 CB LYS A 93 97.501 2.682 -7.671 1.00 0.00 C ATOM 1409 CG LYS A 93 98.274 1.364 -7.744 1.00 0.00 C ATOM 1410 CD LYS A 93 99.775 1.652 -7.791 1.00 0.00 C ATOM 1411 CE LYS A 93 100.213 1.835 -9.245 1.00 0.00 C ATOM 1412 NZ LYS A 93 100.257 0.507 -9.921 1.00 0.00 N ATOM 0 H LYS A 93 95.826 4.458 -8.163 1.00 0.00 H new ATOM 0 HA LYS A 93 95.833 1.709 -8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 93 97.818 3.348 -8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.715 3.191 -6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 93 98.039 0.745 -6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 93 97.973 0.803 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 93 100.002 2.549 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 93 100.328 0.832 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 93 99.520 2.497 -9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 93 101.194 2.308 -9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 100.898 0.555 -10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 100.601 -0.212 -9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 99.302 0.250 -10.244 1.00 0.00 H new ATOM 1426 N ARG A 94 95.278 2.545 -5.483 1.00 0.00 N ATOM 1427 CA ARG A 94 94.794 1.994 -4.218 1.00 0.00 C ATOM 1428 C ARG A 94 93.366 1.506 -4.386 1.00 0.00 C ATOM 1429 O ARG A 94 93.049 0.370 -4.055 1.00 0.00 O ATOM 1430 CB ARG A 94 94.840 3.032 -3.095 1.00 0.00 C ATOM 1431 CG ARG A 94 96.296 3.381 -2.776 1.00 0.00 C ATOM 1432 CD ARG A 94 96.834 2.407 -1.727 1.00 0.00 C ATOM 1433 NE ARG A 94 98.277 2.258 -1.868 1.00 0.00 N ATOM 1434 CZ ARG A 94 98.952 1.373 -1.140 1.00 0.00 C ATOM 1435 NH1 ARG A 94 98.323 0.619 -0.281 1.00 0.00 N ATOM 1436 NH2 ARG A 94 100.244 1.258 -1.286 1.00 0.00 N ATOM 0 H ARG A 94 95.411 3.556 -5.493 1.00 0.00 H new ATOM 0 HA ARG A 94 95.448 1.166 -3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 94 94.298 3.929 -3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 94 94.346 2.642 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 94 96.901 3.328 -3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 94 96.364 4.404 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 94 96.595 2.770 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 94 96.349 1.437 -1.838 1.00 0.00 H new ATOM 0 HE ARG A 94 98.778 2.843 -2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 94 97.313 0.708 -0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 94 98.841 -0.060 0.277 1.00 0.00 H new ATOM 0 HH21 ARG A 94 100.736 1.847 -1.958 1.00 0.00 H new ATOM 0 HH22 ARG A 94 100.762 0.579 -0.728 1.00 0.00 H new ATOM 1450 N LEU A 95 92.512 2.370 -4.915 1.00 0.00 N ATOM 1451 CA LEU A 95 91.118 2.011 -5.133 1.00 0.00 C ATOM 1452 C LEU A 95 91.025 0.921 -6.181 1.00 0.00 C ATOM 1453 O LEU A 95 90.172 0.047 -6.100 1.00 0.00 O ATOM 1454 CB LEU A 95 90.330 3.235 -5.570 1.00 0.00 C ATOM 1455 CG LEU A 95 90.407 4.267 -4.445 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.113 5.663 -4.994 1.00 0.00 C ATOM 1457 CD2 LEU A 95 89.385 3.925 -3.354 1.00 0.00 C ATOM 0 H LEU A 95 92.757 3.318 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 95 90.694 1.638 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 95 90.741 3.644 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.293 2.969 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 95 91.411 4.250 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.170 6.392 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.846 5.914 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.113 5.680 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 95 89.445 4.664 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.382 3.932 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 95 89.601 2.936 -2.950 1.00 0.00 H new ATOM 1469 N GLN A 96 91.936 0.975 -7.146 1.00 0.00 N ATOM 1470 CA GLN A 96 91.987 -0.027 -8.212 1.00 0.00 C ATOM 1471 C GLN A 96 92.554 -1.314 -7.651 1.00 0.00 C ATOM 1472 O GLN A 96 91.981 -2.385 -7.814 1.00 0.00 O ATOM 1473 CB GLN A 96 92.858 0.433 -9.387 1.00 0.00 C ATOM 1474 CG GLN A 96 92.873 -0.656 -10.462 1.00 0.00 C ATOM 1475 CD GLN A 96 94.277 -1.237 -10.595 1.00 0.00 C ATOM 1476 OE1 GLN A 96 94.599 -2.238 -9.955 1.00 0.00 O ATOM 1477 NE2 GLN A 96 95.137 -0.666 -11.394 1.00 0.00 N ATOM 0 H GLN A 96 92.650 1.700 -7.215 1.00 0.00 H new ATOM 0 HA GLN A 96 90.973 -0.177 -8.583 1.00 0.00 H new ATOM 0 HB2 GLN A 96 92.469 1.363 -9.801 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.873 0.636 -9.045 1.00 0.00 H new ATOM 0 HG2 GLN A 96 92.167 -1.445 -10.202 1.00 0.00 H new ATOM 0 HG3 GLN A 96 92.550 -0.241 -11.417 1.00 0.00 H new ATOM 0 HE21 GLN A 96 94.868 0.163 -11.924 1.00 0.00 H new ATOM 0 HE22 GLN A 96 96.078 -1.049 -11.489 1.00 0.00 H new ATOM 1486 N LEU A 97 93.675 -1.183 -6.957 1.00 0.00 N ATOM 1487 CA LEU A 97 94.306 -2.331 -6.331 1.00 0.00 C ATOM 1488 C LEU A 97 93.359 -2.869 -5.279 1.00 0.00 C ATOM 1489 O LEU A 97 93.235 -4.076 -5.091 1.00 0.00 O ATOM 1490 CB LEU A 97 95.633 -1.932 -5.680 1.00 0.00 C ATOM 1491 CG LEU A 97 96.263 -3.155 -5.011 1.00 0.00 C ATOM 1492 CD1 LEU A 97 96.528 -4.236 -6.062 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.584 -2.751 -4.352 1.00 0.00 C ATOM 0 H LEU A 97 94.162 -0.298 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 97 94.517 -3.091 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.311 -1.526 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.467 -1.147 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 97 95.582 -3.545 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 97 96.977 -5.106 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.588 -4.525 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 97 97.208 -3.848 -6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 97 98.034 -3.622 -3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 97 98.264 -2.360 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 97 97.396 -1.983 -3.602 1.00 0.00 H new ATOM 1505 N GLU A 98 92.664 -1.954 -4.615 1.00 0.00 N ATOM 1506 CA GLU A 98 91.698 -2.350 -3.613 1.00 0.00 C ATOM 1507 C GLU A 98 90.473 -2.912 -4.313 1.00 0.00 C ATOM 1508 O GLU A 98 89.936 -3.924 -3.891 1.00 0.00 O ATOM 1509 CB GLU A 98 91.309 -1.175 -2.722 1.00 0.00 C ATOM 1510 CG GLU A 98 92.508 -0.784 -1.852 1.00 0.00 C ATOM 1511 CD GLU A 98 92.427 -1.487 -0.504 1.00 0.00 C ATOM 1512 OE1 GLU A 98 91.680 -2.445 -0.403 1.00 0.00 O ATOM 1513 OE2 GLU A 98 93.114 -1.058 0.408 1.00 0.00 O ATOM 0 H GLU A 98 92.753 -0.947 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 98 92.143 -3.110 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 98 90.996 -0.328 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 98 90.461 -1.445 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 98 93.436 -1.053 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 98 92.525 0.296 -1.707 1.00 0.00 H new ATOM 1520 N PHE A 99 90.049 -2.269 -5.408 1.00 0.00 N ATOM 1521 CA PHE A 99 88.893 -2.775 -6.152 1.00 0.00 C ATOM 1522 C PHE A 99 89.239 -4.108 -6.752 1.00 0.00 C ATOM 1523 O PHE A 99 88.423 -5.011 -6.782 1.00 0.00 O ATOM 1524 CB PHE A 99 88.469 -1.839 -7.282 1.00 0.00 C ATOM 1525 CG PHE A 99 87.924 -2.642 -8.450 1.00 0.00 C ATOM 1526 CD1 PHE A 99 88.807 -3.242 -9.358 1.00 0.00 C ATOM 1527 CD2 PHE A 99 86.540 -2.779 -8.631 1.00 0.00 C ATOM 1528 CE1 PHE A 99 88.310 -3.977 -10.441 1.00 0.00 C ATOM 1529 CE2 PHE A 99 86.044 -3.514 -9.715 1.00 0.00 C ATOM 1530 CZ PHE A 99 86.928 -4.113 -10.619 1.00 0.00 C ATOM 0 H PHE A 99 90.474 -1.424 -5.788 1.00 0.00 H new ATOM 0 HA PHE A 99 88.065 -2.854 -5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 99 87.710 -1.144 -6.923 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.320 -1.241 -7.608 1.00 0.00 H new ATOM 0 HD1 PHE A 99 89.873 -3.137 -9.222 1.00 0.00 H new ATOM 0 HD2 PHE A 99 85.856 -2.317 -7.934 1.00 0.00 H new ATOM 0 HE1 PHE A 99 88.993 -4.439 -11.139 1.00 0.00 H new ATOM 0 HE2 PHE A 99 84.978 -3.619 -9.853 1.00 0.00 H new ATOM 0 HZ PHE A 99 86.544 -4.680 -11.454 1.00 0.00 H new ATOM 1540 N THR A 100 90.456 -4.236 -7.237 1.00 0.00 N ATOM 1541 CA THR A 100 90.850 -5.500 -7.820 1.00 0.00 C ATOM 1542 C THR A 100 91.126 -6.482 -6.699 1.00 0.00 C ATOM 1543 O THR A 100 90.700 -7.633 -6.748 1.00 0.00 O ATOM 1544 CB THR A 100 92.063 -5.327 -8.734 1.00 0.00 C ATOM 1545 OG1 THR A 100 91.911 -6.157 -9.876 1.00 0.00 O ATOM 1546 CG2 THR A 100 93.359 -5.697 -8.007 1.00 0.00 C ATOM 0 H THR A 100 91.169 -3.506 -7.241 1.00 0.00 H new ATOM 0 HA THR A 100 90.045 -5.888 -8.444 1.00 0.00 H new ATOM 0 HB THR A 100 92.123 -4.281 -9.033 1.00 0.00 H new ATOM 0 HG1 THR A 100 92.686 -6.048 -10.465 1.00 0.00 H new ATOM 0 HG21 THR A 100 94.205 -5.564 -8.681 1.00 0.00 H new ATOM 0 HG22 THR A 100 93.484 -5.053 -7.136 1.00 0.00 H new ATOM 0 HG23 THR A 100 93.311 -6.737 -7.685 1.00 0.00 H new ATOM 1554 N GLN A 101 91.802 -6.012 -5.661 1.00 0.00 N ATOM 1555 CA GLN A 101 92.072 -6.875 -4.519 1.00 0.00 C ATOM 1556 C GLN A 101 90.754 -7.181 -3.814 1.00 0.00 C ATOM 1557 O GLN A 101 90.590 -8.236 -3.208 1.00 0.00 O ATOM 1558 CB GLN A 101 93.048 -6.212 -3.546 1.00 0.00 C ATOM 1559 CG GLN A 101 93.351 -7.169 -2.391 1.00 0.00 C ATOM 1560 CD GLN A 101 94.108 -8.388 -2.909 1.00 0.00 C ATOM 1561 OE1 GLN A 101 93.496 -9.348 -3.375 1.00 0.00 O ATOM 1562 NE2 GLN A 101 95.412 -8.405 -2.855 1.00 0.00 N ATOM 0 H GLN A 101 92.166 -5.062 -5.584 1.00 0.00 H new ATOM 0 HA GLN A 101 92.532 -7.799 -4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 101 93.970 -5.947 -4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 101 92.621 -5.286 -3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 101 93.943 -6.659 -1.631 1.00 0.00 H new ATOM 0 HG3 GLN A 101 92.422 -7.483 -1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 101 95.917 -7.608 -2.468 1.00 0.00 H new ATOM 0 HE22 GLN A 101 95.926 -9.216 -3.200 1.00 0.00 H new ATOM 1571 N ALA A 102 89.811 -6.248 -3.915 1.00 0.00 N ATOM 1572 CA ALA A 102 88.495 -6.426 -3.309 1.00 0.00 C ATOM 1573 C ALA A 102 87.570 -7.171 -4.261 1.00 0.00 C ATOM 1574 O ALA A 102 86.980 -8.187 -3.911 1.00 0.00 O ATOM 1575 CB ALA A 102 87.865 -5.075 -2.961 1.00 0.00 C ATOM 0 H ALA A 102 89.933 -5.364 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 102 88.627 -7.005 -2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 102 86.885 -5.236 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 102 88.506 -4.546 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.755 -4.481 -3.868 1.00 0.00 H new ATOM 1581 N GLU A 103 87.443 -6.629 -5.464 1.00 0.00 N ATOM 1582 CA GLU A 103 86.575 -7.206 -6.486 1.00 0.00 C ATOM 1583 C GLU A 103 87.193 -8.443 -7.126 1.00 0.00 C ATOM 1584 O GLU A 103 86.550 -9.490 -7.209 1.00 0.00 O ATOM 1585 CB GLU A 103 86.304 -6.165 -7.577 1.00 0.00 C ATOM 1586 CG GLU A 103 85.025 -6.534 -8.330 1.00 0.00 C ATOM 1587 CD GLU A 103 85.216 -6.315 -9.827 1.00 0.00 C ATOM 1588 OE1 GLU A 103 86.247 -6.722 -10.338 1.00 0.00 O ATOM 1589 OE2 GLU A 103 84.330 -5.743 -10.439 1.00 0.00 O ATOM 0 H GLU A 103 87.933 -5.785 -5.759 1.00 0.00 H new ATOM 0 HA GLU A 103 85.646 -7.503 -5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 103 86.204 -5.175 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 103 87.145 -6.120 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 103 84.768 -7.575 -8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.194 -5.928 -7.969 1.00 0.00 H new ATOM 1596 N ARG A 104 88.426 -8.319 -7.603 1.00 0.00 N ATOM 1597 CA ARG A 104 89.079 -9.457 -8.260 1.00 0.00 C ATOM 1598 C ARG A 104 89.260 -10.631 -7.299 1.00 0.00 C ATOM 1599 O ARG A 104 89.228 -11.788 -7.717 1.00 0.00 O ATOM 1600 CB ARG A 104 90.440 -9.055 -8.837 1.00 0.00 C ATOM 1601 CG ARG A 104 90.662 -9.772 -10.171 1.00 0.00 C ATOM 1602 CD ARG A 104 89.972 -8.995 -11.294 1.00 0.00 C ATOM 1603 NE ARG A 104 89.553 -9.908 -12.353 1.00 0.00 N ATOM 1604 CZ ARG A 104 89.380 -9.482 -13.601 1.00 0.00 C ATOM 1605 NH1 ARG A 104 89.587 -8.229 -13.899 1.00 0.00 N ATOM 1606 NH2 ARG A 104 89.004 -10.319 -14.530 1.00 0.00 N ATOM 0 H ARG A 104 88.986 -7.468 -7.553 1.00 0.00 H new ATOM 0 HA ARG A 104 88.426 -9.771 -9.074 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.481 -7.975 -8.981 1.00 0.00 H new ATOM 0 HB3 ARG A 104 91.234 -9.313 -8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 104 91.729 -9.857 -10.376 1.00 0.00 H new ATOM 0 HG3 ARG A 104 90.266 -10.786 -10.120 1.00 0.00 H new ATOM 0 HD2 ARG A 104 89.107 -8.462 -10.899 1.00 0.00 H new ATOM 0 HD3 ARG A 104 90.652 -8.245 -11.698 1.00 0.00 H new ATOM 0 HE ARG A 104 89.390 -10.890 -12.132 1.00 0.00 H new ATOM 0 HH11 ARG A 104 89.882 -7.574 -13.174 1.00 0.00 H new ATOM 0 HH12 ARG A 104 89.454 -7.904 -14.857 1.00 0.00 H new ATOM 0 HH21 ARG A 104 88.843 -11.299 -14.298 1.00 0.00 H new ATOM 0 HH22 ARG A 104 88.871 -9.993 -15.487 1.00 0.00 H new ATOM 1620 N SER A 105 89.459 -10.336 -6.018 1.00 0.00 N ATOM 1621 CA SER A 105 89.651 -11.398 -5.031 1.00 0.00 C ATOM 1622 C SER A 105 88.316 -11.924 -4.512 1.00 0.00 C ATOM 1623 O SER A 105 88.089 -13.135 -4.490 1.00 0.00 O ATOM 1624 CB SER A 105 90.481 -10.888 -3.858 1.00 0.00 C ATOM 1625 OG SER A 105 91.485 -10.005 -4.342 1.00 0.00 O ATOM 0 H SER A 105 89.492 -9.389 -5.642 1.00 0.00 H new ATOM 0 HA SER A 105 90.177 -12.214 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 105 89.841 -10.372 -3.142 1.00 0.00 H new ATOM 0 HB3 SER A 105 90.940 -11.725 -3.331 1.00 0.00 H new ATOM 0 HG SER A 105 91.830 -9.465 -3.601 1.00 0.00 H new ATOM 1631 N ILE A 106 87.435 -11.021 -4.088 1.00 0.00 N ATOM 1632 CA ILE A 106 86.136 -11.447 -3.567 1.00 0.00 C ATOM 1633 C ILE A 106 85.402 -12.293 -4.599 1.00 0.00 C ATOM 1634 O ILE A 106 84.677 -13.225 -4.251 1.00 0.00 O ATOM 1635 CB ILE A 106 85.273 -10.240 -3.197 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.907 -9.499 -2.016 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.875 -10.721 -2.801 1.00 0.00 C ATOM 1638 CD1 ILE A 106 85.399 -10.097 -0.701 1.00 0.00 C ATOM 0 H ILE A 106 87.589 -10.013 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 106 86.315 -12.041 -2.671 1.00 0.00 H new ATOM 0 HB ILE A 106 85.203 -9.568 -4.052 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.993 -9.576 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.660 -8.438 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 106 83.257 -9.863 -2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 106 83.422 -11.251 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.950 -11.392 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.851 -9.568 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 106 84.315 -9.997 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 106 85.669 -11.152 -0.653 1.00 0.00 H new ATOM 1650 N GLU A 107 85.597 -11.963 -5.870 1.00 0.00 N ATOM 1651 CA GLU A 107 84.949 -12.698 -6.948 1.00 0.00 C ATOM 1652 C GLU A 107 85.333 -14.173 -6.894 1.00 0.00 C ATOM 1653 O GLU A 107 84.856 -14.978 -7.694 1.00 0.00 O ATOM 1654 CB GLU A 107 85.355 -12.108 -8.299 1.00 0.00 C ATOM 1655 CG GLU A 107 84.470 -10.901 -8.617 1.00 0.00 C ATOM 1656 CD GLU A 107 83.218 -11.354 -9.361 1.00 0.00 C ATOM 1657 OE1 GLU A 107 83.361 -12.081 -10.330 1.00 0.00 O ATOM 1658 OE2 GLU A 107 82.136 -10.969 -8.951 1.00 0.00 O ATOM 0 H GLU A 107 86.195 -11.196 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 107 83.869 -12.612 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 107 86.403 -11.808 -8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.256 -12.861 -9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 107 84.191 -10.391 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 107 85.023 -10.183 -9.223 1.00 0.00 H new ATOM 1665 N ARG A 108 86.199 -14.519 -5.946 1.00 0.00 N ATOM 1666 CA ARG A 108 86.640 -15.902 -5.796 1.00 0.00 C ATOM 1667 C ARG A 108 86.749 -16.277 -4.322 1.00 0.00 C ATOM 1668 O ARG A 108 85.936 -17.046 -3.806 1.00 0.00 O ATOM 1669 CB ARG A 108 88.000 -16.093 -6.471 1.00 0.00 C ATOM 1670 CG ARG A 108 87.801 -16.317 -7.972 1.00 0.00 C ATOM 1671 CD ARG A 108 89.147 -16.643 -8.621 1.00 0.00 C ATOM 1672 NE ARG A 108 89.069 -16.459 -10.063 1.00 0.00 N ATOM 1673 CZ ARG A 108 90.144 -16.593 -10.832 1.00 0.00 C ATOM 1674 NH1 ARG A 108 91.295 -16.899 -10.297 1.00 0.00 N ATOM 1675 NH2 ARG A 108 90.050 -16.421 -12.122 1.00 0.00 N ATOM 0 H ARG A 108 86.606 -13.867 -5.275 1.00 0.00 H new ATOM 0 HA ARG A 108 85.902 -16.549 -6.270 1.00 0.00 H new ATOM 0 HB2 ARG A 108 88.627 -15.217 -6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 108 88.519 -16.945 -6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 108 87.098 -17.133 -8.139 1.00 0.00 H new ATOM 0 HG3 ARG A 108 87.371 -15.426 -8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 108 89.924 -16.000 -8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 108 89.429 -17.671 -8.393 1.00 0.00 H new ATOM 0 HE ARG A 108 88.173 -16.223 -10.490 1.00 0.00 H new ATOM 0 HH11 ARG A 108 91.369 -17.035 -9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 108 92.120 -17.002 -10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 108 89.151 -16.183 -12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.876 -16.524 -12.712 1.00 0.00 H new ATOM 1689 N GLY A 109 87.757 -15.732 -3.649 1.00 0.00 N ATOM 1690 CA GLY A 109 87.965 -16.018 -2.233 1.00 0.00 C ATOM 1691 C GLY A 109 89.407 -16.440 -1.970 1.00 0.00 C ATOM 1692 O GLY A 109 89.668 -17.577 -1.579 1.00 0.00 O ATOM 0 H GLY A 109 88.439 -15.093 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 109 87.726 -15.135 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 109 87.286 -16.809 -1.914 1.00 0.00 H new ATOM 1696 N VAL A 110 90.338 -15.517 -2.187 1.00 0.00 N ATOM 1697 CA VAL A 110 91.750 -15.806 -1.971 1.00 0.00 C ATOM 1698 C VAL A 110 92.129 -15.583 -0.510 1.00 0.00 C ATOM 1699 O VAL A 110 92.137 -16.550 0.233 1.00 0.00 O ATOM 1700 CB VAL A 110 92.609 -14.910 -2.864 1.00 0.00 C ATOM 1701 CG1 VAL A 110 94.028 -15.477 -2.947 1.00 0.00 C ATOM 1702 CG2 VAL A 110 91.997 -14.858 -4.267 1.00 0.00 C ATOM 1703 OXT VAL A 110 92.404 -14.448 -0.157 1.00 0.00 O ATOM 0 H VAL A 110 90.142 -14.569 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 110 91.928 -16.851 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 110 92.646 -13.905 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.639 -14.837 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.463 -15.516 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.994 -16.482 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.607 -14.220 -4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 110 91.961 -15.864 -4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 110 90.987 -14.453 -4.208 1.00 0.00 H new TER 1713 VAL A 110