USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 724 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 116 ASN :FLIP amide:sc= -3.25! C(o=-8.5!,f=-6.3!) USER MOD Set 1.2: A 119 HIS : no HD1:sc= -3.04! C(o=-6.3!,f=-14!) USER MOD Set 2.1: A 5 TYR OH : rot 20:sc= -0.292! USER MOD Set 2.2: A 57 TYR OH : rot -52:sc= 1.25 USER MOD Set 3.1: A 7 ASN : amide:sc= -6.49! C(o=-6.4!,f=-14!) USER MOD Set 3.2: A 10 THR OG1 : rot -100:sc= 0.141 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -154:sc= 0.942 USER MOD Single : A 14 GLN : amide:sc=-0.00301 K(o=-0.003,f=-1.2) USER MOD Single : A 18 MET CE :methyl -168:sc= 0 (180deg=-0.157) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -5:sc= 1.04 USER MOD Single : A 39 THR OG1 : rot -66:sc= 0.469 USER MOD Single : A 40 MET CE :methyl -106:sc= -9.13! (180deg=-17!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.71) USER MOD Single : A 73 SER OG : rot 16:sc= 0.0445 USER MOD Single : A 76 LYS NZ :NH3+ -114:sc= -0.196 (180deg=-1.16) USER MOD Single : A 82 MET CE :methyl 139:sc= -0.125 (180deg=-2.75!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot 180:sc= -0.374 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 153:sc= 0.522 (180deg=0.193) USER MOD Single : A 115 TYR OH : rot -19:sc= 1.28 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.305 7.010 30.640 1.00 3.92 N ATOM 2 CA PRO A 1 2.327 7.182 29.530 1.00 3.44 C ATOM 3 C PRO A 1 1.403 8.370 29.810 1.00 3.50 C ATOM 4 O PRO A 1 0.200 8.225 29.898 1.00 4.94 O ATOM 5 CB PRO A 1 1.543 5.874 29.528 1.00 2.00 C ATOM 6 CG PRO A 1 1.670 5.352 30.921 1.00 4.99 C ATOM 7 CD PRO A 1 3.002 5.820 31.442 1.00 3.38 C ATOM 0 H2 PRO A 1 3.293 7.837 31.237 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.247 6.933 30.257 1.00 3.92 H new ATOM 0 HA PRO A 1 2.804 7.386 28.571 1.00 3.44 H new ATOM 0 HB2 PRO A 1 0.499 6.039 29.261 1.00 2.00 H new ATOM 0 HB3 PRO A 1 1.950 5.170 28.803 1.00 2.00 H new ATOM 0 HG2 PRO A 1 0.858 5.722 31.548 1.00 4.99 H new ATOM 0 HG3 PRO A 1 1.611 4.264 30.933 1.00 4.99 H new ATOM 0 HD2 PRO A 1 2.953 6.058 32.505 1.00 3.38 H new ATOM 0 HD3 PRO A 1 3.768 5.054 31.322 1.00 3.38 H new ATOM 17 N THR A 2 1.955 9.545 29.947 1.00 3.08 N ATOM 18 CA THR A 2 1.106 10.740 30.220 1.00 2.08 C ATOM 19 C THR A 2 0.816 11.487 28.915 1.00 2.52 C ATOM 20 O THR A 2 1.658 11.588 28.045 1.00 2.28 O ATOM 21 CB THR A 2 1.937 11.610 31.163 1.00 3.47 C ATOM 22 OG1 THR A 2 1.938 11.031 32.460 1.00 3.73 O ATOM 23 CG2 THR A 2 1.333 13.013 31.230 1.00 3.09 C ATOM 0 H THR A 2 2.956 9.729 29.882 1.00 3.08 H new ATOM 0 HA THR A 2 0.143 10.474 30.656 1.00 2.08 H new ATOM 0 HB THR A 2 2.960 11.675 30.792 1.00 3.47 H new ATOM 0 HG1 THR A 2 2.472 11.586 33.066 1.00 3.73 H new ATOM 0 HG21 THR A 2 1.926 13.633 31.903 1.00 3.09 H new ATOM 0 HG22 THR A 2 1.332 13.457 30.234 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.310 12.951 31.601 1.00 3.09 H new ATOM 31 N VAL A 3 -0.371 12.010 28.771 1.00 10.00 N ATOM 32 CA VAL A 3 -0.712 12.748 27.521 1.00 10.00 C ATOM 33 C VAL A 3 -1.554 13.985 27.845 1.00 10.00 C ATOM 34 O VAL A 3 -2.578 13.898 28.494 1.00 10.00 O ATOM 35 CB VAL A 3 -1.518 11.754 26.685 1.00 10.00 C ATOM 36 CG1 VAL A 3 -1.772 12.341 25.295 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.734 10.446 26.551 1.00 10.00 C ATOM 0 H VAL A 3 -1.118 11.959 29.463 1.00 10.00 H new ATOM 0 HA VAL A 3 0.175 13.101 26.995 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.472 11.558 27.175 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.347 11.631 24.700 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.331 13.272 25.390 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -0.819 12.539 24.804 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.308 9.737 25.955 1.00 10.00 H new ATOM 0 HG22 VAL A 3 0.220 10.642 26.062 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.555 10.026 27.541 1.00 10.00 H new ATOM 47 N GLU A 4 -1.133 15.136 27.395 1.00 10.00 N ATOM 48 CA GLU A 4 -1.913 16.376 27.674 1.00 10.00 C ATOM 49 C GLU A 4 -2.979 16.580 26.595 1.00 10.00 C ATOM 50 O GLU A 4 -2.672 16.754 25.432 1.00 10.00 O ATOM 51 CB GLU A 4 -0.886 17.508 27.633 1.00 50.00 C ATOM 52 CG GLU A 4 -1.246 18.560 28.684 1.00 50.00 C ATOM 53 CD GLU A 4 -0.851 18.051 30.072 1.00 50.00 C ATOM 54 OE1 GLU A 4 -0.628 16.859 30.203 1.00 50.00 O ATOM 55 OE2 GLU A 4 -0.779 18.863 30.980 1.00 50.00 O ATOM 0 H GLU A 4 -0.284 15.271 26.847 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.432 16.332 28.631 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.113 17.115 27.823 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.867 17.960 26.642 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -0.731 19.496 28.468 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -2.315 18.770 28.653 1.00 50.00 H new ATOM 62 N TYR A 5 -4.229 16.553 26.968 1.00 10.00 N ATOM 63 CA TYR A 5 -5.310 16.738 25.957 1.00 10.00 C ATOM 64 C TYR A 5 -5.761 18.202 25.910 1.00 10.00 C ATOM 65 O TYR A 5 -5.954 18.838 26.930 1.00 10.00 O ATOM 66 CB TYR A 5 -6.453 15.838 26.427 1.00 10.00 C ATOM 67 CG TYR A 5 -6.930 16.287 27.788 1.00 10.00 C ATOM 68 CD1 TYR A 5 -7.878 17.311 27.894 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.426 15.677 28.944 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.323 17.726 29.154 1.00 50.00 C ATOM 71 CE2 TYR A 5 -6.871 16.091 30.205 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.820 17.116 30.310 1.00 50.00 C ATOM 73 OH TYR A 5 -8.259 17.523 31.553 1.00 50.00 O ATOM 0 H TYR A 5 -4.549 16.411 27.926 1.00 10.00 H new ATOM 0 HA TYR A 5 -4.976 16.483 24.951 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.275 15.876 25.712 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.117 14.802 26.472 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.266 17.781 27.003 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.694 14.887 28.862 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.054 18.517 29.235 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.483 15.620 31.096 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.111 17.998 31.460 1.00 50.00 H new ATOM 83 N LEU A 6 -5.930 18.736 24.730 1.00 10.00 N ATOM 84 CA LEU A 6 -6.372 20.155 24.600 1.00 10.00 C ATOM 85 C LEU A 6 -7.563 20.243 23.637 1.00 10.00 C ATOM 86 O LEU A 6 -7.480 19.831 22.497 1.00 10.00 O ATOM 87 CB LEU A 6 -5.164 20.896 24.025 1.00 12.50 C ATOM 88 CG LEU A 6 -4.812 22.083 24.926 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.631 22.848 24.324 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.018 23.018 25.035 1.00 50.00 C ATOM 0 H LEU A 6 -5.780 18.248 23.847 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.693 20.580 25.551 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.313 20.220 23.948 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.385 21.245 23.016 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.544 21.717 25.917 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.380 23.693 24.965 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.770 22.184 24.245 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -3.901 23.212 23.333 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.767 23.863 25.676 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.286 23.383 24.044 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -6.861 22.476 25.463 1.00 50.00 H new ATOM 102 N ASN A 7 -8.669 20.768 24.089 1.00 10.00 N ATOM 103 CA ASN A 7 -9.863 20.872 23.199 1.00 10.00 C ATOM 104 C ASN A 7 -9.521 21.667 21.936 1.00 10.00 C ATOM 105 O ASN A 7 -8.992 22.758 22.001 1.00 10.00 O ATOM 106 CB ASN A 7 -10.913 21.613 24.027 1.00 10.00 C ATOM 107 CG ASN A 7 -10.341 22.947 24.504 1.00 10.00 C ATOM 108 OD1 ASN A 7 -9.161 23.202 24.363 1.00 12.50 O ATOM 109 ND2 ASN A 7 -11.134 23.816 25.067 1.00 12.50 N ATOM 0 H ASN A 7 -8.799 21.129 25.034 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.215 19.894 22.871 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -11.809 21.783 23.429 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -11.211 21.007 24.882 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -10.764 24.710 25.389 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.124 23.601 25.185 1.00 12.50 H new ATOM 116 N TYR A 8 -9.827 21.128 20.786 1.00 50.00 N ATOM 117 CA TYR A 8 -9.526 21.853 19.518 1.00 50.00 C ATOM 118 C TYR A 8 -10.214 23.221 19.523 1.00 50.00 C ATOM 119 O TYR A 8 -9.860 24.107 18.773 1.00 50.00 O ATOM 120 CB TYR A 8 -10.098 20.964 18.414 1.00 50.00 C ATOM 121 CG TYR A 8 -10.203 21.751 17.130 1.00 50.00 C ATOM 122 CD1 TYR A 8 -9.129 21.772 16.231 1.00 50.00 C ATOM 123 CD2 TYR A 8 -11.375 22.457 16.836 1.00 50.00 C ATOM 124 CE1 TYR A 8 -9.229 22.501 15.039 1.00 50.00 C ATOM 125 CE2 TYR A 8 -11.475 23.183 15.644 1.00 50.00 C ATOM 126 CZ TYR A 8 -10.402 23.206 14.745 1.00 50.00 C ATOM 127 OH TYR A 8 -10.501 23.921 13.570 1.00 50.00 O ATOM 0 H TYR A 8 -10.272 20.218 20.670 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.460 22.034 19.382 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -9.459 20.094 18.267 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -11.080 20.592 18.705 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -8.225 21.227 16.457 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -12.203 22.441 17.530 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -8.401 22.519 14.346 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -12.381 23.726 15.417 1.00 50.00 H new ATOM 0 HH TYR A 8 -11.144 24.651 13.685 1.00 50.00 H new ATOM 137 N GLU A 9 -11.193 23.396 20.368 1.00 25.00 N ATOM 138 CA GLU A 9 -11.903 24.706 20.424 1.00 25.00 C ATOM 139 C GLU A 9 -10.946 25.798 20.909 1.00 25.00 C ATOM 140 O GLU A 9 -10.898 26.882 20.360 1.00 25.00 O ATOM 141 CB GLU A 9 -13.036 24.499 21.429 1.00 50.00 C ATOM 142 CG GLU A 9 -14.354 24.305 20.676 1.00 50.00 C ATOM 143 CD GLU A 9 -15.280 23.401 21.493 1.00 50.00 C ATOM 144 OE1 GLU A 9 -14.884 22.283 21.777 1.00 50.00 O ATOM 145 OE2 GLU A 9 -16.369 23.843 21.819 1.00 50.00 O ATOM 0 H GLU A 9 -11.532 22.690 21.021 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.278 25.019 19.449 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.829 23.629 22.053 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.108 25.359 22.095 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -14.831 25.269 20.502 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -14.165 23.861 19.698 1.00 50.00 H new ATOM 152 N THR A 10 -10.183 25.520 21.930 1.00 50.00 N ATOM 153 CA THR A 10 -9.228 26.543 22.443 1.00 50.00 C ATOM 154 C THR A 10 -8.232 26.922 21.346 1.00 50.00 C ATOM 155 O THR A 10 -7.812 28.057 21.237 1.00 50.00 O ATOM 156 CB THR A 10 -8.508 25.864 23.610 1.00 50.00 C ATOM 157 OG1 THR A 10 -9.379 25.805 24.731 1.00 50.00 O ATOM 158 CG2 THR A 10 -7.258 26.665 23.974 1.00 50.00 C ATOM 0 H THR A 10 -10.179 24.631 22.430 1.00 50.00 H new ATOM 0 HA THR A 10 -9.728 27.460 22.754 1.00 50.00 H new ATOM 0 HB THR A 10 -8.218 24.854 23.322 1.00 50.00 H new ATOM 0 HG1 THR A 10 -9.157 26.526 25.356 1.00 50.00 H new ATOM 0 HG21 THR A 10 -6.745 26.181 24.805 1.00 50.00 H new ATOM 0 HG22 THR A 10 -6.591 26.710 23.113 1.00 50.00 H new ATOM 0 HG23 THR A 10 -7.545 27.676 24.264 1.00 50.00 H new ATOM 166 N LEU A 11 -7.854 25.977 20.527 1.00 50.00 N ATOM 167 CA LEU A 11 -6.889 26.279 19.433 1.00 50.00 C ATOM 168 C LEU A 11 -7.532 27.215 18.406 1.00 50.00 C ATOM 169 O LEU A 11 -6.926 28.166 17.951 1.00 50.00 O ATOM 170 CB LEU A 11 -6.578 24.922 18.798 1.00 50.00 C ATOM 171 CG LEU A 11 -5.109 24.876 18.369 1.00 50.00 C ATOM 172 CD1 LEU A 11 -4.739 26.173 17.644 1.00 50.00 C ATOM 173 CD2 LEU A 11 -4.223 24.713 19.606 1.00 50.00 C ATOM 0 H LEU A 11 -8.173 25.009 20.569 1.00 50.00 H new ATOM 0 HA LEU A 11 -5.990 26.776 19.798 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.784 24.122 19.509 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.224 24.757 17.936 1.00 50.00 H new ATOM 0 HG LEU A 11 -4.957 24.032 17.696 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -3.693 26.135 17.341 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.368 26.289 16.762 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -4.892 27.020 18.313 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -3.177 24.680 19.302 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.379 25.556 20.279 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -4.481 23.787 20.119 1.00 50.00 H new ATOM 185 N ASP A 12 -8.756 26.951 18.037 1.00 50.00 N ATOM 186 CA ASP A 12 -9.440 27.821 17.038 1.00 50.00 C ATOM 187 C ASP A 12 -9.970 29.087 17.717 1.00 50.00 C ATOM 188 O ASP A 12 -9.592 30.191 17.378 1.00 50.00 O ATOM 189 CB ASP A 12 -10.598 26.976 16.506 1.00 50.00 C ATOM 190 CG ASP A 12 -10.443 26.778 14.995 1.00 50.00 C ATOM 191 OD1 ASP A 12 -9.493 27.305 14.441 1.00 50.00 O ATOM 192 OD2 ASP A 12 -11.279 26.103 14.419 1.00 50.00 O ATOM 0 H ASP A 12 -9.312 26.170 18.384 1.00 50.00 H new ATOM 0 HA ASP A 12 -8.769 28.143 16.241 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -10.616 26.009 17.009 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.547 27.466 16.723 1.00 50.00 H new ATOM 197 N ASP A 13 -10.847 28.934 18.671 1.00 50.00 N ATOM 198 CA ASP A 13 -11.405 30.128 19.369 1.00 50.00 C ATOM 199 C ASP A 13 -10.290 31.130 19.677 1.00 50.00 C ATOM 200 O ASP A 13 -10.390 32.300 19.364 1.00 50.00 O ATOM 201 CB ASP A 13 -12.010 29.585 20.663 1.00 50.00 C ATOM 202 CG ASP A 13 -12.752 30.709 21.390 1.00 50.00 C ATOM 203 OD1 ASP A 13 -13.056 31.702 20.749 1.00 50.00 O ATOM 204 OD2 ASP A 13 -13.002 30.558 22.575 1.00 50.00 O ATOM 0 H ASP A 13 -11.201 28.035 18.997 1.00 50.00 H new ATOM 0 HA ASP A 13 -12.144 30.652 18.763 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -12.695 28.766 20.441 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -11.225 29.180 21.302 1.00 50.00 H new ATOM 209 N GLN A 14 -9.229 30.682 20.290 1.00 50.00 N ATOM 210 CA GLN A 14 -8.110 31.612 20.618 1.00 50.00 C ATOM 211 C GLN A 14 -7.336 31.972 19.348 1.00 50.00 C ATOM 212 O GLN A 14 -6.866 33.081 19.189 1.00 50.00 O ATOM 213 CB GLN A 14 -7.219 30.836 21.588 1.00 50.00 C ATOM 214 CG GLN A 14 -8.065 30.310 22.750 1.00 50.00 C ATOM 215 CD GLN A 14 -7.966 31.277 23.932 1.00 50.00 C ATOM 216 OE1 GLN A 14 -7.997 32.478 23.753 1.00 50.00 O ATOM 217 NE2 GLN A 14 -7.847 30.801 25.141 1.00 50.00 N ATOM 0 H GLN A 14 -9.088 29.714 20.578 1.00 50.00 H new ATOM 0 HA GLN A 14 -8.463 32.547 21.052 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -6.737 30.006 21.071 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -6.426 31.481 21.965 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -9.104 30.205 22.439 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -7.719 29.320 23.047 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -7.821 29.793 25.292 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -7.780 31.437 25.935 1.00 50.00 H new ATOM 226 N GLY A 15 -7.201 31.044 18.441 1.00 50.00 N ATOM 227 CA GLY A 15 -6.457 31.334 17.183 1.00 50.00 C ATOM 228 C GLY A 15 -4.952 31.287 17.456 1.00 50.00 C ATOM 229 O GLY A 15 -4.227 32.212 17.149 1.00 50.00 O ATOM 0 H GLY A 15 -7.574 30.098 18.517 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -6.721 30.606 16.416 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -6.737 32.315 16.801 1.00 50.00 H new ATOM 233 N TRP A 16 -4.478 30.217 18.030 1.00 50.00 N ATOM 234 CA TRP A 16 -3.019 30.110 18.323 1.00 50.00 C ATOM 235 C TRP A 16 -2.376 29.044 17.433 1.00 50.00 C ATOM 236 O TRP A 16 -2.979 28.552 16.500 1.00 50.00 O ATOM 237 CB TRP A 16 -2.937 29.700 19.793 1.00 50.00 C ATOM 238 CG TRP A 16 -2.385 30.833 20.597 1.00 50.00 C ATOM 239 CD1 TRP A 16 -1.204 31.450 20.359 1.00 50.00 C ATOM 240 CD2 TRP A 16 -2.966 31.492 21.759 1.00 50.00 C ATOM 241 NE1 TRP A 16 -1.025 32.447 21.302 1.00 50.00 N ATOM 242 CE2 TRP A 16 -2.082 32.512 22.186 1.00 50.00 C ATOM 243 CE3 TRP A 16 -4.161 31.306 22.476 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -2.376 33.319 23.286 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -4.458 32.116 23.584 1.00 50.00 C ATOM 246 CH2 TRP A 16 -3.568 33.120 23.988 1.00 50.00 C ATOM 0 H TRP A 16 -5.037 29.411 18.310 1.00 50.00 H new ATOM 0 HA TRP A 16 -2.492 31.044 18.131 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -3.926 29.427 20.161 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.303 28.820 19.901 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -0.515 31.205 19.564 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -0.210 33.060 21.339 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -4.855 30.536 22.173 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -1.687 34.092 23.593 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -5.378 31.964 24.128 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -3.803 33.739 24.841 1.00 50.00 H new ATOM 257 N ASP A 17 -1.153 28.684 17.714 1.00 50.00 N ATOM 258 CA ASP A 17 -0.469 27.652 16.884 1.00 50.00 C ATOM 259 C ASP A 17 -0.582 26.277 17.550 1.00 50.00 C ATOM 260 O ASP A 17 -1.333 26.090 18.488 1.00 50.00 O ATOM 261 CB ASP A 17 0.990 28.100 16.825 1.00 50.00 C ATOM 262 CG ASP A 17 1.644 27.547 15.556 1.00 50.00 C ATOM 263 OD1 ASP A 17 1.668 26.338 15.406 1.00 50.00 O ATOM 264 OD2 ASP A 17 2.108 28.344 14.758 1.00 50.00 O ATOM 0 H ASP A 17 -0.598 29.060 18.483 1.00 50.00 H new ATOM 0 HA ASP A 17 -0.909 27.560 15.891 1.00 50.00 H new ATOM 0 HB2 ASP A 17 1.048 29.188 16.832 1.00 50.00 H new ATOM 0 HB3 ASP A 17 1.526 27.747 17.706 1.00 50.00 H new ATOM 269 N MET A 18 0.158 25.314 17.073 1.00 50.00 N ATOM 270 CA MET A 18 0.094 23.951 17.679 1.00 50.00 C ATOM 271 C MET A 18 0.857 23.929 19.005 1.00 50.00 C ATOM 272 O MET A 18 0.389 23.402 19.994 1.00 50.00 O ATOM 273 CB MET A 18 0.763 23.032 16.658 1.00 50.00 C ATOM 274 CG MET A 18 -0.089 22.975 15.388 1.00 50.00 C ATOM 275 SD MET A 18 0.941 22.464 13.991 1.00 50.00 S ATOM 276 CE MET A 18 -0.355 22.509 12.729 1.00 50.00 C ATOM 0 H MET A 18 0.805 25.411 16.290 1.00 50.00 H new ATOM 0 HA MET A 18 -0.928 23.641 17.896 1.00 50.00 H new ATOM 0 HB2 MET A 18 1.762 23.399 16.422 1.00 50.00 H new ATOM 0 HB3 MET A 18 0.881 22.032 17.075 1.00 50.00 H new ATOM 0 HG2 MET A 18 -0.913 22.274 15.521 1.00 50.00 H new ATOM 0 HG3 MET A 18 -0.531 23.952 15.190 1.00 50.00 H new ATOM 0 HE1 MET A 18 0.004 22.024 11.821 1.00 50.00 H new ATOM 0 HE2 MET A 18 -1.238 21.985 13.095 1.00 50.00 H new ATOM 0 HE3 MET A 18 -0.613 23.545 12.509 1.00 50.00 H new ATOM 286 N ASP A 19 2.031 24.498 19.033 1.00 50.00 N ATOM 287 CA ASP A 19 2.825 24.512 20.295 1.00 50.00 C ATOM 288 C ASP A 19 3.590 25.831 20.420 1.00 50.00 C ATOM 289 O ASP A 19 4.548 25.938 21.158 1.00 50.00 O ATOM 290 CB ASP A 19 3.795 23.338 20.165 1.00 50.00 C ATOM 291 CG ASP A 19 3.143 22.073 20.725 1.00 50.00 C ATOM 292 OD1 ASP A 19 2.496 22.171 21.756 1.00 50.00 O ATOM 293 OD2 ASP A 19 3.301 21.028 20.116 1.00 50.00 O ATOM 0 H ASP A 19 2.475 24.954 18.236 1.00 50.00 H new ATOM 0 HA ASP A 19 2.197 24.424 21.181 1.00 50.00 H new ATOM 0 HB2 ASP A 19 4.064 23.189 19.119 1.00 50.00 H new ATOM 0 HB3 ASP A 19 4.718 23.553 20.704 1.00 50.00 H new ATOM 298 N ASP A 20 3.174 26.837 19.699 1.00 50.00 N ATOM 299 CA ASP A 20 3.876 28.149 19.774 1.00 50.00 C ATOM 300 C ASP A 20 3.669 28.785 21.151 1.00 50.00 C ATOM 301 O ASP A 20 4.598 28.948 21.917 1.00 50.00 O ATOM 302 CB ASP A 20 3.229 29.005 18.685 1.00 50.00 C ATOM 303 CG ASP A 20 4.011 30.310 18.530 1.00 50.00 C ATOM 304 OD1 ASP A 20 5.219 30.278 18.700 1.00 50.00 O ATOM 305 OD2 ASP A 20 3.390 31.320 18.244 1.00 50.00 O ATOM 0 H ASP A 20 2.378 26.806 19.062 1.00 50.00 H new ATOM 0 HA ASP A 20 4.952 28.050 19.631 1.00 50.00 H new ATOM 0 HB2 ASP A 20 3.216 28.462 17.740 1.00 50.00 H new ATOM 0 HB3 ASP A 20 2.192 29.219 18.944 1.00 50.00 H new ATOM 310 N ASP A 21 2.456 29.147 21.471 1.00 50.00 N ATOM 311 CA ASP A 21 2.188 29.775 22.797 1.00 50.00 C ATOM 312 C ASP A 21 2.097 28.706 23.888 1.00 50.00 C ATOM 313 O ASP A 21 1.717 28.982 25.009 1.00 50.00 O ATOM 314 CB ASP A 21 0.844 30.484 22.632 1.00 50.00 C ATOM 315 CG ASP A 21 0.681 31.534 23.733 1.00 50.00 C ATOM 316 OD1 ASP A 21 0.864 31.185 24.888 1.00 50.00 O ATOM 317 OD2 ASP A 21 0.373 32.668 23.403 1.00 50.00 O ATOM 0 H ASP A 21 1.639 29.035 20.871 1.00 50.00 H new ATOM 0 HA ASP A 21 2.982 30.461 23.094 1.00 50.00 H new ATOM 0 HB2 ASP A 21 0.789 30.958 21.652 1.00 50.00 H new ATOM 0 HB3 ASP A 21 0.031 29.760 22.682 1.00 50.00 H new ATOM 322 N ASP A 22 2.439 27.486 23.573 1.00 50.00 N ATOM 323 CA ASP A 22 2.365 26.408 24.599 1.00 50.00 C ATOM 324 C ASP A 22 1.024 26.477 25.331 1.00 50.00 C ATOM 325 O ASP A 22 0.966 26.510 26.545 1.00 50.00 O ATOM 326 CB ASP A 22 3.521 26.690 25.558 1.00 50.00 C ATOM 327 CG ASP A 22 4.791 26.012 25.040 1.00 50.00 C ATOM 328 OD1 ASP A 22 5.019 26.062 23.842 1.00 50.00 O ATOM 329 OD2 ASP A 22 5.513 25.454 25.850 1.00 50.00 O ATOM 0 H ASP A 22 2.765 27.190 22.653 1.00 50.00 H new ATOM 0 HA ASP A 22 2.439 25.412 24.163 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.680 27.765 25.647 1.00 50.00 H new ATOM 0 HB3 ASP A 22 3.279 26.320 26.554 1.00 50.00 H new ATOM 334 N LEU A 23 -0.054 26.503 24.599 1.00 50.00 N ATOM 335 CA LEU A 23 -1.398 26.574 25.244 1.00 50.00 C ATOM 336 C LEU A 23 -1.470 25.606 26.428 1.00 50.00 C ATOM 337 O LEU A 23 -2.099 25.883 27.429 1.00 50.00 O ATOM 338 CB LEU A 23 -2.383 26.159 24.152 1.00 50.00 C ATOM 339 CG LEU A 23 -2.456 27.256 23.089 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.461 26.853 22.010 1.00 50.00 C ATOM 341 CD2 LEU A 23 -2.906 28.566 23.739 1.00 50.00 C ATOM 0 H LEU A 23 -0.064 26.478 23.579 1.00 50.00 H new ATOM 0 HA LEU A 23 -1.616 27.568 25.634 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.066 25.219 23.699 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -3.370 25.989 24.583 1.00 50.00 H new ATOM 0 HG LEU A 23 -1.473 27.392 22.639 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -3.514 27.634 21.252 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -3.143 25.919 21.547 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.444 26.718 22.461 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.958 29.349 22.982 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -3.889 28.430 24.189 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -2.191 28.854 24.510 1.00 50.00 H new ATOM 353 N PHE A 24 -0.831 24.474 26.322 1.00 50.00 N ATOM 354 CA PHE A 24 -0.867 23.494 27.444 1.00 50.00 C ATOM 355 C PHE A 24 -0.347 24.149 28.726 1.00 50.00 C ATOM 356 O PHE A 24 -0.605 23.688 29.820 1.00 50.00 O ATOM 357 CB PHE A 24 0.057 22.356 27.008 1.00 50.00 C ATOM 358 CG PHE A 24 -0.652 21.502 25.985 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.804 20.792 26.344 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.160 21.422 24.677 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.463 20.001 25.396 1.00 50.00 C ATOM 362 CE2 PHE A 24 -0.818 20.631 23.728 1.00 50.00 C ATOM 363 CZ PHE A 24 -1.970 19.921 24.088 1.00 50.00 C ATOM 0 H PHE A 24 -0.287 24.185 25.509 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.876 23.138 27.653 1.00 50.00 H new ATOM 0 HB2 PHE A 24 0.977 22.761 26.586 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.340 21.752 27.870 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -2.184 20.855 27.353 1.00 50.00 H new ATOM 0 HD2 PHE A 24 0.728 21.971 24.400 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -3.351 19.453 25.673 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -0.438 20.568 22.719 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.479 19.311 23.356 1.00 50.00 H new ATOM 373 N GLU A 25 0.381 25.224 28.597 1.00 50.00 N ATOM 374 CA GLU A 25 0.916 25.912 29.806 1.00 50.00 C ATOM 375 C GLU A 25 0.112 27.184 30.089 1.00 50.00 C ATOM 376 O GLU A 25 -0.231 27.475 31.217 1.00 50.00 O ATOM 377 CB GLU A 25 2.363 26.258 29.455 1.00 50.00 C ATOM 378 CG GLU A 25 3.261 25.058 29.759 1.00 50.00 C ATOM 379 CD GLU A 25 4.715 25.418 29.449 1.00 50.00 C ATOM 380 OE1 GLU A 25 4.995 26.597 29.306 1.00 50.00 O ATOM 381 OE2 GLU A 25 5.524 24.509 29.360 1.00 50.00 O ATOM 0 H GLU A 25 0.629 25.656 27.707 1.00 50.00 H new ATOM 0 HA GLU A 25 0.851 25.291 30.699 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.439 26.525 28.401 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.690 27.125 30.028 1.00 50.00 H new ATOM 0 HG2 GLU A 25 3.161 24.772 30.806 1.00 50.00 H new ATOM 0 HG3 GLU A 25 2.953 24.199 29.163 1.00 50.00 H new ATOM 388 N LYS A 26 -0.193 27.945 29.072 1.00 50.00 N ATOM 389 CA LYS A 26 -0.976 29.195 29.287 1.00 50.00 C ATOM 390 C LYS A 26 -2.438 28.854 29.585 1.00 50.00 C ATOM 391 O LYS A 26 -3.169 29.645 30.146 1.00 50.00 O ATOM 392 CB LYS A 26 -0.861 29.969 27.975 1.00 50.00 C ATOM 393 CG LYS A 26 -0.235 31.341 28.241 1.00 50.00 C ATOM 394 CD LYS A 26 -1.098 32.109 29.245 1.00 50.00 C ATOM 395 CE LYS A 26 -1.261 33.556 28.773 1.00 50.00 C ATOM 396 NZ LYS A 26 -0.443 34.362 29.722 1.00 50.00 N ATOM 0 H LYS A 26 0.066 27.755 28.104 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.605 29.775 30.132 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.251 29.411 27.264 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.846 30.089 27.524 1.00 50.00 H new ATOM 0 HG2 LYS A 26 0.776 31.222 28.630 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -0.154 31.902 27.310 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -2.074 31.634 29.340 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -0.635 32.087 30.231 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -0.912 33.679 27.748 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -2.307 33.863 28.793 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -0.503 35.368 29.465 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -0.802 34.230 30.689 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 0.549 34.052 29.676 1.00 50.00 H new ATOM 410 N ALA A 27 -2.868 27.679 29.215 1.00 50.00 N ATOM 411 CA ALA A 27 -4.282 27.286 29.481 1.00 50.00 C ATOM 412 C ALA A 27 -4.531 27.221 30.990 1.00 50.00 C ATOM 413 O ALA A 27 -5.639 27.395 31.455 1.00 50.00 O ATOM 414 CB ALA A 27 -4.435 25.902 28.851 1.00 50.00 C ATOM 0 H ALA A 27 -2.303 26.975 28.741 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.996 27.999 29.069 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.452 25.543 29.005 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.230 25.964 27.782 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.732 25.211 29.316 1.00 50.00 H new ATOM 420 N ALA A 28 -3.504 26.974 31.757 1.00 50.00 N ATOM 421 CA ALA A 28 -3.678 26.901 33.236 1.00 50.00 C ATOM 422 C ALA A 28 -3.925 28.300 33.806 1.00 50.00 C ATOM 423 O ALA A 28 -4.335 28.456 34.939 1.00 50.00 O ATOM 424 CB ALA A 28 -2.361 26.331 33.762 1.00 50.00 C ATOM 0 H ALA A 28 -2.552 26.820 31.424 1.00 50.00 H new ATOM 0 HA ALA A 28 -4.530 26.285 33.523 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -2.409 26.246 34.848 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -2.192 25.346 33.328 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -1.541 26.994 33.486 1.00 50.00 H new ATOM 430 N ASP A 29 -3.679 29.319 33.028 1.00 50.00 N ATOM 431 CA ASP A 29 -3.900 30.708 33.525 1.00 50.00 C ATOM 432 C ASP A 29 -5.378 31.081 33.410 1.00 50.00 C ATOM 433 O ASP A 29 -5.910 31.814 34.220 1.00 50.00 O ATOM 434 CB ASP A 29 -3.050 31.595 32.613 1.00 50.00 C ATOM 435 CG ASP A 29 -1.970 32.294 33.441 1.00 50.00 C ATOM 436 OD1 ASP A 29 -1.771 31.895 34.577 1.00 50.00 O ATOM 437 OD2 ASP A 29 -1.360 33.216 32.925 1.00 50.00 O ATOM 0 H ASP A 29 -3.335 29.250 32.070 1.00 50.00 H new ATOM 0 HA ASP A 29 -3.625 30.820 34.574 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -2.590 30.993 31.829 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -3.679 32.335 32.118 1.00 50.00 H new ATOM 442 N ALA A 30 -6.045 30.579 32.409 1.00 50.00 N ATOM 443 CA ALA A 30 -7.491 30.902 32.239 1.00 50.00 C ATOM 444 C ALA A 30 -8.349 29.894 33.002 1.00 50.00 C ATOM 445 O ALA A 30 -9.191 30.255 33.800 1.00 50.00 O ATOM 446 CB ALA A 30 -7.747 30.797 30.735 1.00 50.00 C ATOM 0 H ALA A 30 -5.653 29.959 31.701 1.00 50.00 H new ATOM 0 HA ALA A 30 -7.742 31.890 32.626 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -8.793 31.021 30.527 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -7.112 31.508 30.207 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -7.519 29.786 30.397 1.00 50.00 H new ATOM 452 N GLY A 31 -8.138 28.632 32.763 1.00 50.00 N ATOM 453 CA GLY A 31 -8.936 27.592 33.471 1.00 50.00 C ATOM 454 C GLY A 31 -10.020 27.057 32.534 1.00 50.00 C ATOM 455 O GLY A 31 -11.192 27.330 32.705 1.00 50.00 O ATOM 0 H GLY A 31 -7.445 28.273 32.106 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -8.287 26.779 33.796 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -9.391 28.014 34.367 1.00 50.00 H new ATOM 459 N LEU A 32 -9.641 26.296 31.545 1.00 50.00 N ATOM 460 CA LEU A 32 -10.653 25.743 30.599 1.00 50.00 C ATOM 461 C LEU A 32 -11.312 24.500 31.202 1.00 50.00 C ATOM 462 O LEU A 32 -10.870 23.976 32.205 1.00 50.00 O ATOM 463 CB LEU A 32 -9.866 25.378 29.339 1.00 50.00 C ATOM 464 CG LEU A 32 -9.009 26.569 28.906 1.00 50.00 C ATOM 465 CD1 LEU A 32 -7.884 26.079 27.991 1.00 50.00 C ATOM 466 CD2 LEU A 32 -9.876 27.577 28.152 1.00 50.00 C ATOM 0 H LEU A 32 -8.675 26.033 31.350 1.00 50.00 H new ATOM 0 HA LEU A 32 -11.451 26.454 30.385 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -9.232 24.512 29.532 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -10.551 25.100 28.538 1.00 50.00 H new ATOM 0 HG LEU A 32 -8.581 27.048 29.787 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -7.272 26.926 27.681 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -7.264 25.361 28.528 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -8.313 25.600 27.111 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -9.264 28.425 27.844 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -10.305 27.100 27.271 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -10.678 27.926 28.803 1.00 50.00 H new ATOM 478 N ASP A 33 -12.366 24.023 30.599 1.00 50.00 N ATOM 479 CA ASP A 33 -13.052 22.813 31.138 1.00 50.00 C ATOM 480 C ASP A 33 -12.053 21.663 31.291 1.00 50.00 C ATOM 481 O ASP A 33 -11.128 21.525 30.516 1.00 50.00 O ATOM 482 CB ASP A 33 -14.116 22.464 30.098 1.00 50.00 C ATOM 483 CG ASP A 33 -15.470 22.296 30.790 1.00 50.00 C ATOM 484 OD1 ASP A 33 -15.745 21.200 31.252 1.00 50.00 O ATOM 485 OD2 ASP A 33 -16.209 23.265 30.847 1.00 50.00 O ATOM 0 H ASP A 33 -12.783 24.418 29.756 1.00 50.00 H new ATOM 0 HA ASP A 33 -13.487 22.989 32.122 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -14.175 23.250 29.345 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.845 21.545 29.579 1.00 50.00 H new ATOM 490 N GLY A 34 -12.232 20.836 32.285 1.00 50.00 N ATOM 491 CA GLY A 34 -11.292 19.696 32.483 1.00 50.00 C ATOM 492 C GLY A 34 -11.388 18.748 31.289 1.00 50.00 C ATOM 493 O GLY A 34 -10.423 18.116 30.904 1.00 50.00 O ATOM 0 H GLY A 34 -12.987 20.900 32.968 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -10.272 20.065 32.588 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.535 19.165 33.404 1.00 50.00 H new ATOM 497 N GLU A 35 -12.544 18.644 30.695 1.00 50.00 N ATOM 498 CA GLU A 35 -12.701 17.739 29.520 1.00 50.00 C ATOM 499 C GLU A 35 -12.152 18.416 28.262 1.00 50.00 C ATOM 500 O GLU A 35 -12.247 17.891 27.170 1.00 50.00 O ATOM 501 CB GLU A 35 -14.208 17.510 29.396 1.00 50.00 C ATOM 502 CG GLU A 35 -14.875 18.783 28.867 1.00 50.00 C ATOM 503 CD GLU A 35 -16.382 18.712 29.124 1.00 50.00 C ATOM 504 OE1 GLU A 35 -16.823 17.715 29.672 1.00 50.00 O ATOM 505 OE2 GLU A 35 -17.067 19.656 28.768 1.00 50.00 O ATOM 0 H GLU A 35 -13.388 19.146 30.972 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.158 16.802 29.640 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.406 16.676 28.723 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.627 17.243 30.366 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -14.452 19.659 29.358 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -14.682 18.891 27.800 1.00 50.00 H new ATOM 512 N ASP A 36 -11.579 19.579 28.406 1.00 50.00 N ATOM 513 CA ASP A 36 -11.023 20.292 27.222 1.00 50.00 C ATOM 514 C ASP A 36 -9.506 20.445 27.361 1.00 50.00 C ATOM 515 O ASP A 36 -8.760 20.198 26.435 1.00 50.00 O ATOM 516 CB ASP A 36 -11.702 21.662 27.232 1.00 50.00 C ATOM 517 CG ASP A 36 -12.930 21.631 26.321 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.155 20.608 25.695 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.626 22.632 26.264 1.00 50.00 O ATOM 0 H ASP A 36 -11.472 20.067 29.295 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.204 19.753 26.292 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.996 21.926 28.248 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.004 22.428 26.893 1.00 50.00 H new ATOM 524 N TYR A 37 -9.043 20.855 28.509 1.00 12.50 N ATOM 525 CA TYR A 37 -7.575 21.028 28.699 1.00 12.50 C ATOM 526 C TYR A 37 -7.137 20.406 30.029 1.00 12.50 C ATOM 527 O TYR A 37 -7.726 20.646 31.064 1.00 12.50 O ATOM 528 CB TYR A 37 -7.364 22.546 28.703 1.00 12.50 C ATOM 529 CG TYR A 37 -6.078 22.891 29.420 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.847 22.491 28.886 1.00 50.00 C ATOM 531 CD2 TYR A 37 -6.120 23.609 30.622 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.659 22.811 29.553 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.931 23.928 31.288 1.00 50.00 C ATOM 534 CZ TYR A 37 -3.701 23.527 30.754 1.00 12.50 C ATOM 535 OH TYR A 37 -2.530 23.842 31.411 1.00 50.00 O ATOM 0 H TYR A 37 -9.616 21.078 29.323 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.988 20.538 27.922 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.330 22.919 27.679 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -8.205 23.036 29.193 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.814 21.936 27.960 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.070 23.916 31.035 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.709 22.505 29.140 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -4.963 24.483 32.214 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.773 23.430 30.945 1.00 50.00 H new ATOM 545 N GLY A 38 -6.102 19.610 30.007 1.00 10.00 N ATOM 546 CA GLY A 38 -5.625 18.977 31.269 1.00 10.00 C ATOM 547 C GLY A 38 -4.659 17.839 30.936 1.00 10.00 C ATOM 548 O GLY A 38 -4.374 17.572 29.785 1.00 10.00 O ATOM 0 H GLY A 38 -5.568 19.371 29.172 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.128 19.718 31.895 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.472 18.594 31.839 1.00 10.00 H new ATOM 552 N THR A 39 -4.156 17.164 31.932 1.00 10.00 N ATOM 553 CA THR A 39 -3.209 16.043 31.670 1.00 10.00 C ATOM 554 C THR A 39 -3.966 14.714 31.625 1.00 10.00 C ATOM 555 O THR A 39 -4.826 14.451 32.444 1.00 10.00 O ATOM 556 CB THR A 39 -2.231 16.066 32.846 1.00 50.00 C ATOM 557 OG1 THR A 39 -2.034 17.408 33.268 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.894 15.466 32.410 1.00 50.00 C ATOM 0 H THR A 39 -4.359 17.340 32.916 1.00 10.00 H new ATOM 0 HA THR A 39 -2.696 16.149 30.714 1.00 10.00 H new ATOM 0 HB THR A 39 -2.638 15.481 33.670 1.00 50.00 H new ATOM 0 HG1 THR A 39 -1.577 17.910 32.561 1.00 50.00 H new ATOM 0 HG21 THR A 39 -0.197 15.482 33.248 1.00 50.00 H new ATOM 0 HG22 THR A 39 -1.046 14.437 32.085 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.484 16.050 31.586 1.00 50.00 H new ATOM 566 N MET A 40 -3.658 13.875 30.675 1.00 10.00 N ATOM 567 CA MET A 40 -4.364 12.565 30.578 1.00 10.00 C ATOM 568 C MET A 40 -3.507 11.448 31.180 1.00 10.00 C ATOM 569 O MET A 40 -2.300 11.557 31.273 1.00 10.00 O ATOM 570 CB MET A 40 -4.566 12.335 29.080 1.00 10.00 C ATOM 571 CG MET A 40 -5.886 11.596 28.850 1.00 10.00 C ATOM 572 SD MET A 40 -6.108 11.297 27.078 1.00 12.50 S ATOM 573 CE MET A 40 -5.760 9.521 27.101 1.00 50.00 C ATOM 0 H MET A 40 -2.948 14.039 29.961 1.00 10.00 H new ATOM 0 HA MET A 40 -5.307 12.567 31.124 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.575 13.289 28.553 1.00 10.00 H new ATOM 0 HB3 MET A 40 -3.737 11.755 28.675 1.00 10.00 H new ATOM 0 HG2 MET A 40 -5.885 10.650 29.392 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.717 12.185 29.237 1.00 10.00 H new ATOM 0 HE1 MET A 40 -4.774 9.338 26.674 1.00 50.00 H new ATOM 0 HE2 MET A 40 -5.784 9.159 28.129 1.00 50.00 H new ATOM 0 HE3 MET A 40 -6.513 8.995 26.514 1.00 50.00 H new ATOM 583 N GLU A 41 -4.125 10.371 31.587 1.00 10.00 N ATOM 584 CA GLU A 41 -3.352 9.242 32.181 1.00 10.00 C ATOM 585 C GLU A 41 -3.716 7.933 31.474 1.00 10.00 C ATOM 586 O GLU A 41 -4.781 7.384 31.675 1.00 10.00 O ATOM 587 CB GLU A 41 -3.779 9.196 33.648 1.00 10.00 C ATOM 588 CG GLU A 41 -2.875 10.115 34.471 1.00 10.00 C ATOM 589 CD GLU A 41 -3.396 11.551 34.389 1.00 12.50 C ATOM 590 OE1 GLU A 41 -4.514 11.730 33.935 1.00 12.50 O ATOM 591 OE2 GLU A 41 -2.668 12.447 34.783 1.00 12.50 O ATOM 0 H GLU A 41 -5.133 10.225 31.534 1.00 10.00 H new ATOM 0 HA GLU A 41 -2.275 9.375 32.077 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -4.819 9.509 33.745 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -3.717 8.175 34.024 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -2.851 9.784 35.509 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -1.852 10.066 34.097 1.00 10.00 H new ATOM 598 N VAL A 42 -2.844 7.431 30.643 1.00 10.00 N ATOM 599 CA VAL A 42 -3.149 6.161 29.922 1.00 10.00 C ATOM 600 C VAL A 42 -2.284 5.017 30.458 1.00 10.00 C ATOM 601 O VAL A 42 -1.077 5.127 30.548 1.00 10.00 O ATOM 602 CB VAL A 42 -2.807 6.447 28.460 1.00 10.00 C ATOM 603 CG1 VAL A 42 -3.392 5.345 27.575 1.00 10.00 C ATOM 604 CG2 VAL A 42 -3.398 7.799 28.054 1.00 10.00 C ATOM 0 H VAL A 42 -1.935 7.844 30.432 1.00 10.00 H new ATOM 0 HA VAL A 42 -4.188 5.856 30.051 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.724 6.473 28.337 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -3.149 5.548 26.532 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.970 4.383 27.865 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -4.475 5.318 27.696 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.155 8.004 27.011 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.481 7.774 28.176 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -2.980 8.583 28.685 1.00 10.00 H new ATOM 614 N ALA A 43 -2.892 3.916 30.809 1.00 10.00 N ATOM 615 CA ALA A 43 -2.104 2.764 31.332 1.00 10.00 C ATOM 616 C ALA A 43 -1.470 1.995 30.171 1.00 10.00 C ATOM 617 O ALA A 43 -2.145 1.570 29.255 1.00 10.00 O ATOM 618 CB ALA A 43 -3.120 1.886 32.064 1.00 50.00 C ATOM 0 H ALA A 43 -3.899 3.765 30.756 1.00 10.00 H new ATOM 0 HA ALA A 43 -1.294 3.080 31.989 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -2.615 1.014 32.479 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -3.580 2.457 32.871 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -3.890 1.561 31.365 1.00 50.00 H new ATOM 624 N GLU A 44 -0.178 1.816 30.199 1.00 10.00 N ATOM 625 CA GLU A 44 0.499 1.077 29.093 1.00 10.00 C ATOM 626 C GLU A 44 -0.324 -0.149 28.692 1.00 10.00 C ATOM 627 O GLU A 44 -0.531 -1.056 29.474 1.00 10.00 O ATOM 628 CB GLU A 44 1.850 0.653 29.668 1.00 10.00 C ATOM 629 CG GLU A 44 1.634 -0.095 30.985 1.00 10.00 C ATOM 630 CD GLU A 44 2.450 -1.389 30.973 1.00 25.00 C ATOM 631 OE1 GLU A 44 1.924 -2.395 30.525 1.00 25.00 O ATOM 632 OE2 GLU A 44 3.587 -1.353 31.412 1.00 25.00 O ATOM 0 H GLU A 44 0.439 2.149 30.940 1.00 10.00 H new ATOM 0 HA GLU A 44 0.612 1.688 28.197 1.00 10.00 H new ATOM 0 HB2 GLU A 44 2.375 0.015 28.957 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.477 1.529 29.834 1.00 10.00 H new ATOM 0 HG2 GLU A 44 1.936 0.531 31.825 1.00 10.00 H new ATOM 0 HG3 GLU A 44 0.576 -0.320 31.119 1.00 10.00 H new ATOM 639 N GLY A 45 -0.797 -0.184 27.476 1.00 10.00 N ATOM 640 CA GLY A 45 -1.607 -1.350 27.023 1.00 10.00 C ATOM 641 C GLY A 45 -3.083 -0.950 26.951 1.00 10.00 C ATOM 642 O GLY A 45 -3.940 -1.760 26.662 1.00 10.00 O ATOM 0 H GLY A 45 -0.657 0.545 26.776 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -1.263 -1.688 26.045 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -1.479 -2.185 27.712 1.00 10.00 H new ATOM 646 N GLU A 46 -3.386 0.293 27.210 1.00 10.00 N ATOM 647 CA GLU A 46 -4.808 0.737 27.154 1.00 10.00 C ATOM 648 C GLU A 46 -4.988 1.802 26.068 1.00 10.00 C ATOM 649 O GLU A 46 -4.291 2.797 26.040 1.00 10.00 O ATOM 650 CB GLU A 46 -5.095 1.323 28.535 1.00 10.00 C ATOM 651 CG GLU A 46 -5.370 0.185 29.522 1.00 10.00 C ATOM 652 CD GLU A 46 -6.742 0.390 30.168 1.00 10.00 C ATOM 653 OE1 GLU A 46 -7.653 0.789 29.462 1.00 10.00 O ATOM 654 OE2 GLU A 46 -6.858 0.143 31.357 1.00 10.00 O ATOM 0 H GLU A 46 -2.713 1.018 27.457 1.00 10.00 H new ATOM 0 HA GLU A 46 -5.487 -0.080 26.910 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -4.246 1.916 28.874 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -5.953 1.993 28.487 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -5.339 -0.774 29.005 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -4.596 0.159 30.289 1.00 10.00 H new ATOM 661 N TYR A 47 -5.917 1.600 25.173 1.00 10.00 N ATOM 662 CA TYR A 47 -6.139 2.599 24.089 1.00 10.00 C ATOM 663 C TYR A 47 -6.387 3.987 24.690 1.00 10.00 C ATOM 664 O TYR A 47 -7.085 4.133 25.673 1.00 10.00 O ATOM 665 CB TYR A 47 -7.381 2.107 23.341 1.00 10.00 C ATOM 666 CG TYR A 47 -7.227 0.640 23.015 1.00 10.00 C ATOM 667 CD1 TYR A 47 -6.116 0.197 22.286 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.193 -0.278 23.444 1.00 10.00 C ATOM 669 CE1 TYR A 47 -5.972 -1.163 21.987 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.049 -1.638 23.144 1.00 10.00 C ATOM 671 CZ TYR A 47 -6.939 -2.081 22.415 1.00 10.00 C ATOM 672 OH TYR A 47 -6.797 -3.421 22.119 1.00 10.00 O ATOM 0 H TYR A 47 -6.532 0.786 25.146 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.276 2.689 23.429 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.271 2.263 23.951 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.518 2.681 22.425 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.370 0.905 21.955 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.050 0.063 24.007 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -5.115 -1.504 21.426 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.795 -2.346 23.475 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.554 -3.920 22.490 1.00 10.00 H new ATOM 682 N ILE A 48 -5.816 5.006 24.106 1.00 10.00 N ATOM 683 CA ILE A 48 -6.014 6.384 24.642 1.00 10.00 C ATOM 684 C ILE A 48 -7.502 6.658 24.874 1.00 10.00 C ATOM 685 O ILE A 48 -7.941 6.844 25.991 1.00 10.00 O ATOM 686 CB ILE A 48 -5.458 7.311 23.562 1.00 10.00 C ATOM 687 CG1 ILE A 48 -3.934 7.177 23.508 1.00 10.00 C ATOM 688 CG2 ILE A 48 -5.829 8.760 23.888 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.464 7.278 22.056 1.00 10.00 C ATOM 0 H ILE A 48 -5.220 4.944 23.280 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.516 6.529 25.601 1.00 10.00 H new ATOM 0 HB ILE A 48 -5.883 7.036 22.597 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -3.468 7.959 24.107 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -3.627 6.222 23.935 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.432 9.420 23.117 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.914 8.858 23.926 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.406 9.035 24.854 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.379 7.183 22.017 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -3.920 6.480 21.470 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -3.758 8.244 21.645 1.00 10.00 H new ATOM 701 N LEU A 49 -8.283 6.686 23.825 1.00 10.00 N ATOM 702 CA LEU A 49 -9.743 6.948 23.988 1.00 10.00 C ATOM 703 C LEU A 49 -10.282 6.181 25.198 1.00 10.00 C ATOM 704 O LEU A 49 -11.167 6.639 25.892 1.00 10.00 O ATOM 705 CB LEU A 49 -10.384 6.438 22.694 1.00 10.00 C ATOM 706 CG LEU A 49 -11.889 6.253 22.903 1.00 10.00 C ATOM 707 CD1 LEU A 49 -12.651 7.012 21.814 1.00 10.00 C ATOM 708 CD2 LEU A 49 -12.234 4.764 22.823 1.00 10.00 C ATOM 0 H LEU A 49 -7.973 6.539 22.864 1.00 10.00 H new ATOM 0 HA LEU A 49 -9.960 8.002 24.159 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -10.204 7.145 21.884 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -9.929 5.492 22.399 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.172 6.640 23.882 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -13.723 6.881 21.962 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -12.404 8.072 21.869 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -12.369 6.624 20.835 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -13.306 4.630 22.972 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -11.952 4.377 21.844 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -11.690 4.222 23.597 1.00 10.00 H new ATOM 720 N GLU A 50 -9.747 5.020 25.461 1.00 10.00 N ATOM 721 CA GLU A 50 -10.223 4.228 26.631 1.00 10.00 C ATOM 722 C GLU A 50 -9.598 4.773 27.917 1.00 10.00 C ATOM 723 O GLU A 50 -10.275 5.003 28.900 1.00 10.00 O ATOM 724 CB GLU A 50 -9.746 2.801 26.365 1.00 10.00 C ATOM 725 CG GLU A 50 -10.891 1.822 26.637 1.00 10.00 C ATOM 726 CD GLU A 50 -10.410 0.393 26.381 1.00 50.00 C ATOM 727 OE1 GLU A 50 -9.209 0.175 26.429 1.00 50.00 O ATOM 728 OE2 GLU A 50 -11.249 -0.459 26.142 1.00 50.00 O ATOM 0 H GLU A 50 -9.001 4.586 24.917 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.305 4.276 26.754 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -9.409 2.705 25.333 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.893 2.566 27.002 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -11.233 1.923 27.667 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -11.741 2.052 25.994 1.00 10.00 H new ATOM 735 N ALA A 51 -8.311 4.985 27.917 1.00 10.00 N ATOM 736 CA ALA A 51 -7.643 5.519 29.139 1.00 10.00 C ATOM 737 C ALA A 51 -8.342 6.794 29.607 1.00 10.00 C ATOM 738 O ALA A 51 -8.782 6.899 30.735 1.00 10.00 O ATOM 739 CB ALA A 51 -6.208 5.822 28.709 1.00 12.50 C ATOM 0 H ALA A 51 -7.693 4.812 27.125 1.00 10.00 H new ATOM 0 HA ALA A 51 -7.678 4.814 29.969 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -5.651 6.220 29.557 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -5.732 4.906 28.360 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.217 6.556 27.904 1.00 12.50 H new ATOM 745 N ALA A 52 -8.446 7.760 28.744 1.00 10.00 N ATOM 746 CA ALA A 52 -9.116 9.035 29.127 1.00 10.00 C ATOM 747 C ALA A 52 -10.604 8.793 29.386 1.00 10.00 C ATOM 748 O ALA A 52 -11.214 9.437 30.216 1.00 10.00 O ATOM 749 CB ALA A 52 -8.924 9.963 27.928 1.00 10.00 C ATOM 0 H ALA A 52 -8.096 7.725 27.787 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.700 9.461 30.040 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.392 10.926 28.134 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -7.859 10.108 27.747 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.384 9.518 27.046 1.00 10.00 H new ATOM 755 N GLU A 53 -11.190 7.864 28.684 1.00 10.00 N ATOM 756 CA GLU A 53 -12.637 7.576 28.893 1.00 10.00 C ATOM 757 C GLU A 53 -12.866 7.046 30.309 1.00 10.00 C ATOM 758 O GLU A 53 -13.953 7.124 30.847 1.00 10.00 O ATOM 759 CB GLU A 53 -12.983 6.506 27.856 1.00 10.00 C ATOM 760 CG GLU A 53 -14.344 5.892 28.190 1.00 10.00 C ATOM 761 CD GLU A 53 -14.147 4.678 29.101 1.00 10.00 C ATOM 762 OE1 GLU A 53 -13.669 3.668 28.612 1.00 10.00 O ATOM 763 OE2 GLU A 53 -14.476 4.781 30.271 1.00 10.00 O ATOM 0 H GLU A 53 -10.731 7.292 27.975 1.00 10.00 H new ATOM 0 HA GLU A 53 -13.257 8.465 28.781 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.005 6.945 26.859 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -12.216 5.732 27.847 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -14.977 6.630 28.682 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -14.855 5.594 27.274 1.00 10.00 H new ATOM 770 N ALA A 54 -11.845 6.506 30.918 1.00 10.00 N ATOM 771 CA ALA A 54 -12.000 5.972 32.301 1.00 10.00 C ATOM 772 C ALA A 54 -12.166 7.124 33.296 1.00 10.00 C ATOM 773 O ALA A 54 -12.837 6.996 34.301 1.00 10.00 O ATOM 774 CB ALA A 54 -10.704 5.209 32.576 1.00 50.00 C ATOM 0 H ALA A 54 -10.911 6.412 30.518 1.00 10.00 H new ATOM 0 HA ALA A 54 -12.879 5.335 32.403 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -10.738 4.783 33.579 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -10.591 4.408 31.845 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -9.857 5.891 32.500 1.00 50.00 H new ATOM 780 N GLN A 55 -11.561 8.247 33.022 1.00 10.00 N ATOM 781 CA GLN A 55 -11.686 9.405 33.953 1.00 10.00 C ATOM 782 C GLN A 55 -12.982 10.170 33.675 1.00 10.00 C ATOM 783 O GLN A 55 -13.515 10.841 34.536 1.00 10.00 O ATOM 784 CB GLN A 55 -10.471 10.284 33.656 1.00 10.00 C ATOM 785 CG GLN A 55 -9.191 9.499 33.948 1.00 10.00 C ATOM 786 CD GLN A 55 -8.622 9.934 35.300 1.00 10.00 C ATOM 787 OE1 GLN A 55 -8.573 11.112 35.599 1.00 10.00 O ATOM 788 NE2 GLN A 55 -8.188 9.031 36.135 1.00 10.00 N ATOM 0 H GLN A 55 -10.987 8.413 32.196 1.00 10.00 H new ATOM 0 HA GLN A 55 -11.719 9.094 34.997 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.485 10.603 32.614 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -10.504 11.187 34.266 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -9.402 8.430 33.957 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.458 9.672 33.160 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.229 8.043 35.885 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.808 9.313 37.039 1.00 10.00 H new ATOM 797 N GLY A 56 -13.496 10.074 32.480 1.00 10.00 N ATOM 798 CA GLY A 56 -14.758 10.796 32.153 1.00 10.00 C ATOM 799 C GLY A 56 -14.552 11.660 30.906 1.00 10.00 C ATOM 800 O GLY A 56 -15.403 12.445 30.538 1.00 10.00 O ATOM 0 H GLY A 56 -13.097 9.528 31.716 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -15.563 10.081 31.983 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -15.059 11.421 32.994 1.00 10.00 H new ATOM 804 N TYR A 57 -13.431 11.525 30.250 1.00 10.00 N ATOM 805 CA TYR A 57 -13.181 12.341 29.027 1.00 10.00 C ATOM 806 C TYR A 57 -14.105 11.883 27.895 1.00 10.00 C ATOM 807 O TYR A 57 -14.627 10.786 27.913 1.00 10.00 O ATOM 808 CB TYR A 57 -11.718 12.087 28.669 1.00 10.00 C ATOM 809 CG TYR A 57 -10.829 12.867 29.608 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.131 14.201 29.914 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.703 12.258 30.174 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.308 14.923 30.785 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.879 12.982 31.046 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.182 14.315 31.351 1.00 12.50 C ATOM 815 OH TYR A 57 -8.371 15.028 32.210 1.00 12.50 O ATOM 0 H TYR A 57 -12.679 10.886 30.507 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.377 13.401 29.188 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.495 11.022 28.739 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.527 12.385 27.638 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -11.999 14.672 29.477 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.469 11.230 29.939 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.542 15.951 31.021 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -8.010 12.512 31.483 1.00 12.50 H new ATOM 0 HH TYR A 57 -8.116 15.876 31.791 1.00 12.50 H new ATOM 825 N ASP A 58 -14.318 12.716 26.913 1.00 10.00 N ATOM 826 CA ASP A 58 -15.216 12.322 25.789 1.00 10.00 C ATOM 827 C ASP A 58 -14.510 12.505 24.443 1.00 10.00 C ATOM 828 O ASP A 58 -13.824 13.481 24.216 1.00 10.00 O ATOM 829 CB ASP A 58 -16.415 13.265 25.894 1.00 10.00 C ATOM 830 CG ASP A 58 -17.430 12.923 24.802 1.00 10.00 C ATOM 831 OD1 ASP A 58 -17.016 12.416 23.773 1.00 10.00 O ATOM 832 OD2 ASP A 58 -18.606 13.175 25.014 1.00 10.00 O ATOM 0 H ASP A 58 -13.911 13.649 26.840 1.00 10.00 H new ATOM 0 HA ASP A 58 -15.508 11.274 25.849 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -16.878 13.174 26.877 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -16.088 14.300 25.790 1.00 10.00 H new ATOM 837 N TRP A 59 -14.683 11.573 23.546 1.00 10.00 N ATOM 838 CA TRP A 59 -14.035 11.686 22.209 1.00 10.00 C ATOM 839 C TRP A 59 -15.037 11.309 21.115 1.00 10.00 C ATOM 840 O TRP A 59 -15.908 10.491 21.328 1.00 10.00 O ATOM 841 CB TRP A 59 -12.878 10.686 22.237 1.00 10.00 C ATOM 842 CG TRP A 59 -12.086 10.867 23.492 1.00 10.00 C ATOM 843 CD1 TRP A 59 -12.492 10.492 24.728 1.00 10.00 C ATOM 844 CD2 TRP A 59 -10.762 11.453 23.657 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.504 10.813 25.640 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.417 11.408 25.030 1.00 50.00 C ATOM 847 CE3 TRP A 59 -9.836 12.015 22.760 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.199 11.903 25.494 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -8.608 12.514 23.224 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.291 12.458 24.589 1.00 50.00 C ATOM 0 H TRP A 59 -15.248 10.735 23.683 1.00 10.00 H new ATOM 0 HA TRP A 59 -13.689 12.699 22.001 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -13.263 9.668 22.182 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -12.238 10.832 21.367 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.434 10.019 24.963 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.570 10.632 26.642 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.071 12.063 21.707 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -8.959 11.858 26.546 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -7.904 12.943 22.526 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.345 12.844 24.940 1.00 50.00 H new ATOM 861 N PRO A 60 -14.874 11.918 19.972 1.00 10.00 N ATOM 862 CA PRO A 60 -15.774 11.636 18.828 1.00 10.00 C ATOM 863 C PRO A 60 -15.498 10.234 18.279 1.00 10.00 C ATOM 864 O PRO A 60 -14.471 9.986 17.680 1.00 10.00 O ATOM 865 CB PRO A 60 -15.406 12.708 17.809 1.00 10.00 C ATOM 866 CG PRO A 60 -14.002 13.095 18.150 1.00 10.00 C ATOM 867 CD PRO A 60 -13.848 12.912 19.638 1.00 10.00 C ATOM 0 HA PRO A 60 -16.832 11.659 19.091 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -15.474 12.326 16.791 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -16.079 13.563 17.874 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.288 12.475 17.608 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -13.806 14.129 17.866 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -12.850 12.560 19.897 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -14.006 13.847 20.175 1.00 10.00 H new ATOM 1011 N ALA A 72 -11.506 12.092 15.062 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.291 12.806 14.572 1.00 10.00 C ATOM 1013 C ALA A 72 -9.613 13.562 15.720 1.00 10.00 C ATOM 1014 O ALA A 72 -10.262 14.077 16.609 1.00 10.00 O ATOM 1015 CB ALA A 72 -10.804 13.784 13.515 1.00 10.00 C ATOM 0 HA ALA A 72 -9.548 12.119 14.167 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -9.967 14.349 13.105 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -11.295 13.230 12.714 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -11.517 14.471 13.971 1.00 10.00 H new ATOM 1021 N SER A 73 -8.311 13.632 15.700 1.00 10.00 N ATOM 1022 CA SER A 73 -7.580 14.354 16.780 1.00 10.00 C ATOM 1023 C SER A 73 -6.398 15.126 16.184 1.00 10.00 C ATOM 1024 O SER A 73 -6.202 15.140 14.986 1.00 10.00 O ATOM 1025 CB SER A 73 -7.086 13.257 17.724 1.00 50.00 C ATOM 1026 OG SER A 73 -8.123 12.908 18.630 1.00 50.00 O ATOM 0 H SER A 73 -7.719 13.219 14.979 1.00 10.00 H new ATOM 0 HA SER A 73 -8.208 15.080 17.296 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.779 12.382 17.152 1.00 50.00 H new ATOM 0 HB3 SER A 73 -6.210 13.602 18.273 1.00 50.00 H new ATOM 0 HG SER A 73 -8.978 13.254 18.298 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.612 15.767 17.007 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.447 16.535 16.478 1.00 10.00 C ATOM 1034 C ILE A 74 -3.264 16.426 17.447 1.00 10.00 C ATOM 1035 O ILE A 74 -3.091 17.248 18.325 1.00 10.00 O ATOM 1036 CB ILE A 74 -4.936 17.979 16.382 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.138 18.053 15.437 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.810 18.864 15.845 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -5.700 17.669 14.022 1.00 10.00 C ATOM 0 H ILE A 74 -5.725 15.792 18.020 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.103 16.160 15.514 1.00 10.00 H new ATOM 0 HB ILE A 74 -5.232 18.327 17.372 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -6.925 17.382 15.780 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.554 19.060 15.439 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -4.158 19.895 15.776 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -2.955 18.814 16.519 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.513 18.515 14.856 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -6.556 17.722 13.349 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -4.927 18.358 13.681 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -5.304 16.653 14.027 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.453 15.416 17.292 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.282 15.246 18.200 1.00 10.00 C ATOM 1053 C VAL A 75 -0.368 16.474 18.133 1.00 10.00 C ATOM 1054 O VAL A 75 0.155 16.811 17.090 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.555 14.009 17.673 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.144 14.241 16.218 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.694 13.751 18.520 1.00 50.00 C ATOM 0 H VAL A 75 -2.551 14.699 16.574 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.582 15.135 19.242 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.218 13.146 17.731 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.375 13.359 15.841 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -1.032 14.425 15.614 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.519 15.104 16.160 1.00 50.00 H new ATOM 0 HG21 VAL A 75 1.213 12.869 18.144 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.357 14.614 18.462 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.403 13.586 19.557 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.165 17.140 19.238 1.00 10.00 N ATOM 1068 CA LYS A 76 0.721 18.340 19.230 1.00 10.00 C ATOM 1069 C LYS A 76 2.172 17.916 19.478 1.00 10.00 C ATOM 1070 O LYS A 76 3.093 18.694 19.325 1.00 10.00 O ATOM 1071 CB LYS A 76 0.210 19.216 20.375 1.00 25.00 C ATOM 1072 CG LYS A 76 -1.248 19.597 20.113 1.00 25.00 C ATOM 1073 CD LYS A 76 -1.298 20.820 19.195 1.00 50.00 C ATOM 1074 CE LYS A 76 -2.071 20.473 17.921 1.00 50.00 C ATOM 1075 NZ LYS A 76 -2.893 21.681 17.633 1.00 50.00 N ATOM 0 H LYS A 76 -0.573 16.906 20.143 1.00 10.00 H new ATOM 0 HA LYS A 76 0.701 18.869 18.277 1.00 10.00 H new ATOM 0 HB2 LYS A 76 0.293 18.681 21.321 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.822 20.114 20.461 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -1.776 18.762 19.653 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -1.753 19.814 21.054 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -1.778 21.653 19.708 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -0.287 21.140 18.943 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -1.394 20.249 17.096 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -2.698 19.593 18.066 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -3.901 21.448 17.739 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -2.641 22.439 18.299 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -2.712 22.001 16.660 1.00 50.00 H new ATOM 1089 N GLU A 77 2.379 16.685 19.857 1.00 10.00 N ATOM 1090 CA GLU A 77 3.765 16.201 20.114 1.00 10.00 C ATOM 1091 C GLU A 77 3.728 14.764 20.645 1.00 10.00 C ATOM 1092 O GLU A 77 2.688 14.260 21.020 1.00 10.00 O ATOM 1093 CB GLU A 77 4.332 17.152 21.169 1.00 10.00 C ATOM 1094 CG GLU A 77 5.661 17.725 20.673 1.00 10.00 C ATOM 1095 CD GLU A 77 6.079 18.894 21.569 1.00 25.00 C ATOM 1096 OE1 GLU A 77 5.336 19.207 22.484 1.00 25.00 O ATOM 1097 OE2 GLU A 77 7.133 19.454 21.323 1.00 25.00 O ATOM 0 H GLU A 77 1.645 15.991 20.000 1.00 10.00 H new ATOM 0 HA GLU A 77 4.375 16.192 19.211 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.626 17.959 21.365 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.480 16.623 22.110 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.429 16.952 20.684 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.562 18.061 19.641 1.00 10.00 H new ATOM 1104 N GLY A 78 4.851 14.103 20.680 1.00 10.00 N ATOM 1105 CA GLY A 78 4.871 12.700 21.185 1.00 10.00 C ATOM 1106 C GLY A 78 4.515 11.743 20.046 1.00 10.00 C ATOM 1107 O GLY A 78 4.442 12.131 18.897 1.00 10.00 O ATOM 0 H GLY A 78 5.754 14.471 20.382 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.857 12.459 21.582 1.00 10.00 H new ATOM 0 HA3 GLY A 78 4.161 12.587 22.005 1.00 10.00 H new ATOM 1111 N GLU A 79 4.291 10.493 20.353 1.00 10.00 N ATOM 1112 CA GLU A 79 3.941 9.514 19.283 1.00 10.00 C ATOM 1113 C GLU A 79 2.977 8.454 19.824 1.00 10.00 C ATOM 1114 O GLU A 79 3.082 8.027 20.957 1.00 10.00 O ATOM 1115 CB GLU A 79 5.269 8.873 18.882 1.00 25.00 C ATOM 1116 CG GLU A 79 5.002 7.658 17.992 1.00 25.00 C ATOM 1117 CD GLU A 79 5.826 7.774 16.709 1.00 50.00 C ATOM 1118 OE1 GLU A 79 6.704 8.621 16.666 1.00 50.00 O ATOM 1119 OE2 GLU A 79 5.568 7.013 15.790 1.00 50.00 O ATOM 0 H GLU A 79 4.335 10.108 21.297 1.00 10.00 H new ATOM 0 HA GLU A 79 3.445 9.990 18.438 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.888 9.596 18.352 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.822 8.571 19.771 1.00 25.00 H new ATOM 0 HG2 GLU A 79 5.262 6.742 18.522 1.00 25.00 H new ATOM 0 HG3 GLU A 79 3.941 7.597 17.751 1.00 25.00 H new ATOM 1126 N ILE A 80 2.042 8.026 19.022 1.00 10.00 N ATOM 1127 CA ILE A 80 1.073 6.992 19.488 1.00 10.00 C ATOM 1128 C ILE A 80 1.276 5.690 18.707 1.00 10.00 C ATOM 1129 O ILE A 80 1.583 5.703 17.531 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.308 7.581 19.197 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.416 8.968 19.832 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.386 6.664 19.783 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -1.874 9.430 19.809 1.00 50.00 C ATOM 0 H ILE A 80 1.906 8.347 18.063 1.00 10.00 H new ATOM 0 HA ILE A 80 1.199 6.754 20.544 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.448 7.665 18.119 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.049 8.939 20.858 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.209 9.677 19.290 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.371 7.082 19.577 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.309 5.676 19.329 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.246 6.580 20.861 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -1.950 10.419 20.262 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -2.225 9.475 18.778 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.488 8.726 20.371 1.00 50.00 H new ATOM 1145 N ASP A 81 1.105 4.568 19.350 1.00 10.00 N ATOM 1146 CA ASP A 81 1.289 3.269 18.641 1.00 10.00 C ATOM 1147 C ASP A 81 -0.065 2.725 18.175 1.00 10.00 C ATOM 1148 O ASP A 81 -0.894 2.334 18.971 1.00 10.00 O ATOM 1149 CB ASP A 81 1.912 2.335 19.680 1.00 10.00 C ATOM 1150 CG ASP A 81 3.252 1.805 19.162 1.00 10.00 C ATOM 1151 OD1 ASP A 81 3.658 2.220 18.088 1.00 10.00 O ATOM 1152 OD2 ASP A 81 3.849 0.992 19.849 1.00 10.00 O ATOM 0 H ASP A 81 0.846 4.494 20.334 1.00 10.00 H new ATOM 0 HA ASP A 81 1.915 3.368 17.754 1.00 10.00 H new ATOM 0 HB2 ASP A 81 2.060 2.868 20.619 1.00 10.00 H new ATOM 0 HB3 ASP A 81 1.237 1.504 19.887 1.00 10.00 H new ATOM 1157 N MET A 82 -0.291 2.696 16.890 1.00 12.50 N ATOM 1158 CA MET A 82 -1.589 2.176 16.373 1.00 12.50 C ATOM 1159 C MET A 82 -1.356 0.916 15.535 1.00 12.50 C ATOM 1160 O MET A 82 -0.482 0.874 14.692 1.00 12.50 O ATOM 1161 CB MET A 82 -2.148 3.304 15.506 1.00 12.50 C ATOM 1162 CG MET A 82 -3.659 3.128 15.355 1.00 12.50 C ATOM 1163 SD MET A 82 -4.009 2.173 13.858 1.00 12.50 S ATOM 1164 CE MET A 82 -5.723 1.748 14.256 1.00 50.00 C ATOM 0 H MET A 82 0.366 3.010 16.176 1.00 12.50 H new ATOM 0 HA MET A 82 -2.275 1.901 17.174 1.00 12.50 H new ATOM 0 HB2 MET A 82 -1.927 4.270 15.960 1.00 12.50 H new ATOM 0 HB3 MET A 82 -1.670 3.295 14.526 1.00 12.50 H new ATOM 0 HG2 MET A 82 -4.065 2.617 16.228 1.00 12.50 H new ATOM 0 HG3 MET A 82 -4.146 4.102 15.300 1.00 12.50 H new ATOM 0 HE1 MET A 82 -6.337 1.834 13.359 1.00 50.00 H new ATOM 0 HE2 MET A 82 -5.767 0.725 14.629 1.00 50.00 H new ATOM 0 HE3 MET A 82 -6.099 2.429 15.020 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.128 -0.111 15.761 1.00 50.00 N ATOM 1175 CA ASP A 83 -1.947 -1.368 14.977 1.00 50.00 C ATOM 1176 C ASP A 83 -2.446 -1.174 13.543 1.00 50.00 C ATOM 1177 O ASP A 83 -3.453 -0.538 13.306 1.00 50.00 O ATOM 1178 CB ASP A 83 -2.795 -2.412 15.704 1.00 50.00 C ATOM 1179 CG ASP A 83 -1.880 -3.381 16.453 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -0.720 -3.048 16.636 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -2.353 -4.440 16.831 1.00 50.00 O ATOM 0 H ASP A 83 -2.876 -0.135 16.454 1.00 50.00 H new ATOM 0 HA ASP A 83 -0.901 -1.667 14.910 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -3.473 -1.922 16.403 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -3.412 -2.957 14.989 1.00 50.00 H new ATOM 1275 N SER A 89 -1.717 8.751 6.520 1.00 12.50 N ATOM 1276 CA SER A 89 -0.571 9.291 5.736 1.00 12.50 C ATOM 1277 C SER A 89 0.343 10.126 6.635 1.00 12.50 C ATOM 1278 O SER A 89 -0.110 10.953 7.401 1.00 12.50 O ATOM 1279 CB SER A 89 -1.207 10.169 4.658 1.00 12.50 C ATOM 1280 OG SER A 89 -0.917 9.629 3.377 1.00 12.50 O ATOM 0 HA SER A 89 0.044 8.499 5.309 1.00 12.50 H new ATOM 0 HB2 SER A 89 -2.286 10.222 4.807 1.00 12.50 H new ATOM 0 HB3 SER A 89 -0.825 11.187 4.731 1.00 12.50 H new ATOM 0 HG SER A 89 -1.326 10.190 2.685 1.00 12.50 H new ATOM 1286 N ASP A 90 1.628 9.916 6.547 1.00 10.00 N ATOM 1287 CA ASP A 90 2.571 10.698 7.394 1.00 10.00 C ATOM 1288 C ASP A 90 2.241 12.189 7.313 1.00 10.00 C ATOM 1289 O ASP A 90 2.293 12.903 8.296 1.00 10.00 O ATOM 1290 CB ASP A 90 3.954 10.422 6.804 1.00 10.00 C ATOM 1291 CG ASP A 90 4.460 9.066 7.303 1.00 10.00 C ATOM 1292 OD1 ASP A 90 4.388 8.832 8.498 1.00 10.00 O ATOM 1293 OD2 ASP A 90 4.913 8.286 6.481 1.00 10.00 O ATOM 0 H ASP A 90 2.065 9.236 5.925 1.00 10.00 H new ATOM 0 HA ASP A 90 2.513 10.417 8.446 1.00 10.00 H new ATOM 0 HB2 ASP A 90 3.904 10.425 5.715 1.00 10.00 H new ATOM 0 HB3 ASP A 90 4.649 11.210 7.094 1.00 10.00 H new ATOM 1298 N GLU A 91 1.896 12.662 6.148 1.00 12.50 N ATOM 1299 CA GLU A 91 1.557 14.105 5.998 1.00 12.50 C ATOM 1300 C GLU A 91 0.413 14.468 6.943 1.00 12.50 C ATOM 1301 O GLU A 91 0.407 15.517 7.554 1.00 12.50 O ATOM 1302 CB GLU A 91 1.122 14.264 4.543 1.00 12.50 C ATOM 1303 CG GLU A 91 2.267 14.871 3.730 1.00 12.50 C ATOM 1304 CD GLU A 91 1.744 15.310 2.360 1.00 50.00 C ATOM 1305 OE1 GLU A 91 1.180 14.478 1.669 1.00 50.00 O ATOM 1306 OE2 GLU A 91 1.916 16.471 2.027 1.00 50.00 O ATOM 0 H GLU A 91 1.834 12.111 5.292 1.00 12.50 H new ATOM 0 HA GLU A 91 2.396 14.757 6.241 1.00 12.50 H new ATOM 0 HB2 GLU A 91 0.841 13.296 4.129 1.00 12.50 H new ATOM 0 HB3 GLU A 91 0.241 14.903 4.484 1.00 12.50 H new ATOM 0 HG2 GLU A 91 2.691 15.724 4.260 1.00 12.50 H new ATOM 0 HG3 GLU A 91 3.068 14.141 3.609 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.552 13.602 7.072 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.691 13.894 7.985 1.00 10.00 C ATOM 1315 C GLU A 92 -1.161 14.220 9.381 1.00 10.00 C ATOM 1316 O GLU A 92 -1.630 15.124 10.042 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.523 12.611 8.011 1.00 50.00 C ATOM 1318 CG GLU A 92 -3.960 12.926 7.592 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.764 11.627 7.516 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -4.310 10.711 6.852 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.820 11.571 8.123 1.00 50.00 O ATOM 0 H GLU A 92 -0.602 12.707 6.586 1.00 10.00 H new ATOM 0 HA GLU A 92 -2.282 14.749 7.655 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -2.091 11.871 7.338 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.511 12.178 9.011 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -4.418 13.608 8.308 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -3.967 13.428 6.624 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.179 13.490 9.833 1.00 10.00 N ATOM 1329 CA VAL A 93 0.389 13.756 11.184 1.00 10.00 C ATOM 1330 C VAL A 93 1.361 14.938 11.123 1.00 10.00 C ATOM 1331 O VAL A 93 1.626 15.589 12.113 1.00 10.00 O ATOM 1332 CB VAL A 93 1.129 12.473 11.561 1.00 10.00 C ATOM 1333 CG1 VAL A 93 1.463 12.496 13.053 1.00 10.00 C ATOM 1334 CG2 VAL A 93 0.242 11.264 11.255 1.00 10.00 C ATOM 0 H VAL A 93 0.255 12.720 9.324 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.379 14.013 11.913 1.00 10.00 H new ATOM 0 HB VAL A 93 2.051 12.403 10.984 1.00 10.00 H new ATOM 0 HG11 VAL A 93 1.991 11.581 13.322 1.00 10.00 H new ATOM 0 HG12 VAL A 93 2.095 13.357 13.271 1.00 10.00 H new ATOM 0 HG13 VAL A 93 0.542 12.567 13.631 1.00 10.00 H new ATOM 0 HG21 VAL A 93 0.769 10.349 11.524 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -0.680 11.334 11.832 1.00 10.00 H new ATOM 0 HG23 VAL A 93 0.004 11.247 10.191 1.00 10.00 H new ATOM 1344 N GLU A 94 1.897 15.214 9.966 1.00 12.50 N ATOM 1345 CA GLU A 94 2.857 16.349 9.840 1.00 12.50 C ATOM 1346 C GLU A 94 2.108 17.656 9.572 1.00 12.50 C ATOM 1347 O GLU A 94 2.519 18.717 10.000 1.00 12.50 O ATOM 1348 CB GLU A 94 3.743 15.986 8.648 1.00 12.50 C ATOM 1349 CG GLU A 94 4.873 15.065 9.111 1.00 12.50 C ATOM 1350 CD GLU A 94 6.031 15.909 9.651 1.00 12.50 C ATOM 1351 OE1 GLU A 94 6.073 17.088 9.340 1.00 12.50 O ATOM 1352 OE2 GLU A 94 6.855 15.361 10.364 1.00 12.50 O ATOM 0 H GLU A 94 1.712 14.704 9.102 1.00 12.50 H new ATOM 0 HA GLU A 94 3.436 16.500 10.751 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.150 15.492 7.878 1.00 12.50 H new ATOM 0 HB3 GLU A 94 4.157 16.890 8.201 1.00 12.50 H new ATOM 0 HG2 GLU A 94 4.511 14.388 9.885 1.00 12.50 H new ATOM 0 HG3 GLU A 94 5.216 14.447 8.281 1.00 12.50 H new ATOM 1359 N GLU A 95 1.015 17.594 8.859 1.00 12.50 N ATOM 1360 CA GLU A 95 0.252 18.840 8.561 1.00 12.50 C ATOM 1361 C GLU A 95 -1.058 18.880 9.356 1.00 12.50 C ATOM 1362 O GLU A 95 -1.523 19.932 9.746 1.00 12.50 O ATOM 1363 CB GLU A 95 -0.037 18.776 7.060 1.00 25.00 C ATOM 1364 CG GLU A 95 0.856 19.778 6.325 1.00 25.00 C ATOM 1365 CD GLU A 95 1.766 19.031 5.350 1.00 50.00 C ATOM 1366 OE1 GLU A 95 2.661 18.343 5.814 1.00 50.00 O ATOM 1367 OE2 GLU A 95 1.553 19.158 4.156 1.00 50.00 O ATOM 0 H GLU A 95 0.619 16.738 8.471 1.00 12.50 H new ATOM 0 HA GLU A 95 0.811 19.734 8.837 1.00 12.50 H new ATOM 0 HB2 GLU A 95 0.145 17.768 6.686 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.087 19.001 6.871 1.00 25.00 H new ATOM 0 HG2 GLU A 95 0.243 20.500 5.786 1.00 25.00 H new ATOM 0 HG3 GLU A 95 1.456 20.340 7.041 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.660 17.747 9.593 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.944 17.735 10.356 1.00 25.00 C ATOM 1376 C LYS A 96 -2.727 17.186 11.770 1.00 25.00 C ATOM 1377 O LYS A 96 -3.569 17.327 12.632 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.870 16.816 9.561 1.00 25.00 C ATOM 1379 CG LYS A 96 -4.543 17.615 8.444 1.00 25.00 C ATOM 1380 CD LYS A 96 -5.974 17.111 8.252 1.00 25.00 C ATOM 1381 CE LYS A 96 -5.995 16.046 7.154 1.00 25.00 C ATOM 1382 NZ LYS A 96 -7.117 16.444 6.257 1.00 25.00 N ATOM 0 H LYS A 96 -1.322 16.832 9.294 1.00 25.00 H new ATOM 0 HA LYS A 96 -3.360 18.736 10.470 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -3.302 15.987 9.139 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -4.624 16.384 10.219 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -4.550 18.676 8.694 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -3.981 17.509 7.516 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -6.353 16.694 9.185 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -6.630 17.939 7.983 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -5.049 16.016 6.614 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -6.156 15.052 7.571 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -7.197 15.761 5.477 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -8.006 16.457 6.797 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -6.933 17.392 5.870 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.611 16.561 12.019 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.355 16.008 13.384 1.00 10.00 C ATOM 1398 C ASP A 97 -2.475 15.042 13.774 1.00 10.00 C ATOM 1399 O ASP A 97 -2.698 14.774 14.938 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.355 17.214 14.332 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.775 18.444 13.627 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.224 18.295 12.942 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -1.340 19.514 13.784 1.00 50.00 O ATOM 0 H ASP A 97 -0.865 16.408 11.341 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.413 15.461 13.426 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.371 17.423 14.666 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -0.768 16.986 15.222 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.186 14.523 12.813 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.296 13.583 13.137 1.00 10.00 C ATOM 1410 C VAL A 98 -3.759 12.158 13.306 1.00 10.00 C ATOM 1411 O VAL A 98 -2.680 11.834 12.850 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.242 13.659 11.940 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -6.221 12.485 11.990 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -6.021 14.976 11.988 1.00 50.00 C ATOM 0 H VAL A 98 -3.048 14.708 11.819 1.00 10.00 H new ATOM 0 HA VAL A 98 -4.795 13.844 14.070 1.00 10.00 H new ATOM 0 HB VAL A 98 -4.665 13.612 11.016 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -6.897 12.538 11.136 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -5.667 11.547 11.956 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -6.799 12.532 12.913 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -6.696 15.031 11.134 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.599 15.024 12.911 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -5.323 15.813 11.953 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.504 11.303 13.954 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.037 9.900 14.148 1.00 10.00 C ATOM 1426 C ARG A 99 -5.097 9.087 14.898 1.00 10.00 C ATOM 1427 O ARG A 99 -5.603 9.504 15.922 1.00 10.00 O ATOM 1428 CB ARG A 99 -2.760 10.015 14.980 1.00 50.00 C ATOM 1429 CG ARG A 99 -1.621 9.280 14.268 1.00 50.00 C ATOM 1430 CD ARG A 99 -0.555 8.876 15.289 1.00 50.00 C ATOM 1431 NE ARG A 99 0.731 8.926 14.537 1.00 50.00 N ATOM 1432 CZ ARG A 99 1.540 7.902 14.557 1.00 50.00 C ATOM 1433 NH1 ARG A 99 1.058 6.690 14.597 1.00 50.00 N ATOM 1434 NH2 ARG A 99 2.831 8.090 14.537 1.00 50.00 N ATOM 0 H ARG A 99 -5.416 11.516 14.358 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.859 9.391 13.201 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.498 11.064 15.122 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -2.919 9.589 15.971 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -2.006 8.396 13.760 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -1.182 9.921 13.503 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -0.543 9.558 16.139 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.744 7.878 15.684 1.00 50.00 H new ATOM 0 HE ARG A 99 0.979 9.761 14.006 1.00 50.00 H new ATOM 0 HH11 ARG A 99 0.049 6.543 14.613 1.00 50.00 H new ATOM 0 HH12 ARG A 99 1.690 5.890 14.613 1.00 50.00 H new ATOM 0 HH21 ARG A 99 3.208 9.037 14.506 1.00 50.00 H new ATOM 0 HH22 ARG A 99 3.463 7.290 14.553 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.435 7.930 14.398 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.460 7.090 15.081 1.00 10.00 C ATOM 1450 C LEU A 100 -6.018 6.771 16.513 1.00 10.00 C ATOM 1451 O LEU A 100 -5.033 6.096 16.732 1.00 10.00 O ATOM 1452 CB LEU A 100 -6.544 5.810 14.249 1.00 10.00 C ATOM 1453 CG LEU A 100 -7.753 5.889 13.315 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -9.025 6.101 14.139 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -7.572 7.059 12.347 1.00 10.00 C ATOM 0 H LEU A 100 -5.045 7.529 13.545 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.424 7.594 15.152 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -5.630 5.680 13.669 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -6.632 4.943 14.904 1.00 10.00 H new ATOM 0 HG LEU A 100 -7.838 4.959 12.752 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -9.885 6.157 13.472 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -9.155 5.267 14.829 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -8.942 7.030 14.703 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -8.433 7.117 11.681 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -7.487 7.988 12.911 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -6.667 6.908 11.758 1.00 10.00 H new ATOM 1467 N THR A 101 -6.741 7.251 17.487 1.00 10.00 N ATOM 1468 CA THR A 101 -6.365 6.974 18.903 1.00 10.00 C ATOM 1469 C THR A 101 -7.429 6.097 19.569 1.00 10.00 C ATOM 1470 O THR A 101 -7.506 6.008 20.778 1.00 10.00 O ATOM 1471 CB THR A 101 -6.302 8.346 19.575 1.00 10.00 C ATOM 1472 OG1 THR A 101 -7.574 8.974 19.484 1.00 10.00 O ATOM 1473 CG2 THR A 101 -5.252 9.212 18.878 1.00 10.00 C ATOM 0 H THR A 101 -7.576 7.823 17.364 1.00 10.00 H new ATOM 0 HA THR A 101 -5.418 6.440 18.982 1.00 10.00 H new ATOM 0 HB THR A 101 -6.029 8.225 20.623 1.00 10.00 H new ATOM 0 HG1 THR A 101 -7.536 9.853 19.916 1.00 10.00 H new ATOM 0 HG21 THR A 101 -5.209 10.189 19.359 1.00 10.00 H new ATOM 0 HG22 THR A 101 -4.277 8.730 18.949 1.00 10.00 H new ATOM 0 HG23 THR A 101 -5.520 9.335 17.829 1.00 10.00 H new ATOM 1481 N CYS A 102 -8.247 5.449 18.788 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.307 4.579 19.373 1.00 10.00 C ATOM 1483 C CYS A 102 -8.703 3.253 19.841 1.00 10.00 C ATOM 1484 O CYS A 102 -9.047 2.738 20.888 1.00 10.00 O ATOM 1485 CB CYS A 102 -10.298 4.340 18.233 1.00 10.00 C ATOM 1486 SG CYS A 102 -11.694 5.479 18.396 1.00 10.00 S ATOM 0 H CYS A 102 -8.228 5.484 17.769 1.00 10.00 H new ATOM 0 HA CYS A 102 -9.784 5.037 20.240 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -9.805 4.488 17.272 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -10.652 3.309 18.255 1.00 10.00 H new ATOM 0 HG CYS A 102 -12.535 5.277 17.425 1.00 10.00 H new ATOM 1491 N ILE A 103 -7.809 2.694 19.073 1.00 10.00 N ATOM 1492 CA ILE A 103 -7.186 1.399 19.472 1.00 10.00 C ATOM 1493 C ILE A 103 -5.660 1.501 19.411 1.00 10.00 C ATOM 1494 O ILE A 103 -4.982 0.583 18.993 1.00 10.00 O ATOM 1495 CB ILE A 103 -7.697 0.385 18.446 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -7.161 -1.006 18.791 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -7.213 0.785 17.051 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -8.300 -2.023 18.716 1.00 50.00 C ATOM 0 H ILE A 103 -7.482 3.077 18.186 1.00 10.00 H new ATOM 0 HA ILE A 103 -7.442 1.115 20.493 1.00 10.00 H new ATOM 0 HB ILE A 103 -8.787 0.369 18.463 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -6.366 -1.283 18.099 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -6.727 -1.003 19.791 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -7.576 0.064 16.319 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -7.594 1.776 16.804 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -6.123 0.801 17.035 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -7.919 -3.014 18.962 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -9.081 -1.748 19.425 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -8.713 -2.033 17.707 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.112 2.611 19.825 1.00 10.00 N ATOM 1511 CA GLY A 104 -3.630 2.769 19.789 1.00 10.00 C ATOM 1512 C GLY A 104 -3.126 3.172 21.176 1.00 10.00 C ATOM 1513 O GLY A 104 -3.826 3.806 21.942 1.00 10.00 O ATOM 0 H GLY A 104 -5.626 3.415 20.186 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.162 1.835 19.477 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -3.352 3.526 19.055 1.00 10.00 H new ATOM 1517 N SER A 105 -1.916 2.811 21.508 1.00 10.00 N ATOM 1518 CA SER A 105 -1.369 3.176 22.846 1.00 10.00 C ATOM 1519 C SER A 105 -0.269 4.232 22.698 1.00 10.00 C ATOM 1520 O SER A 105 0.312 4.381 21.642 1.00 10.00 O ATOM 1521 CB SER A 105 -0.792 1.877 23.410 1.00 10.00 C ATOM 1522 OG SER A 105 0.542 1.713 22.951 1.00 10.00 O ATOM 0 H SER A 105 -1.283 2.279 20.911 1.00 10.00 H new ATOM 0 HA SER A 105 -2.131 3.600 23.500 1.00 10.00 H new ATOM 0 HB2 SER A 105 -0.813 1.900 24.500 1.00 10.00 H new ATOM 0 HB3 SER A 105 -1.402 1.030 23.098 1.00 10.00 H new ATOM 0 HG SER A 105 0.913 0.881 23.314 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.024 4.932 23.772 1.00 10.00 N ATOM 1529 CA PRO A 106 1.015 5.990 23.771 1.00 10.00 C ATOM 1530 C PRO A 106 2.414 5.368 23.778 1.00 10.00 C ATOM 1531 O PRO A 106 2.782 4.657 24.692 1.00 10.00 O ATOM 1532 CB PRO A 106 0.754 6.749 25.068 1.00 10.00 C ATOM 1533 CG PRO A 106 0.066 5.765 25.962 1.00 10.00 C ATOM 1534 CD PRO A 106 -0.685 4.806 25.075 1.00 10.00 C ATOM 0 HA PRO A 106 0.972 6.631 22.890 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.684 7.102 25.512 1.00 10.00 H new ATOM 0 HB3 PRO A 106 0.131 7.626 24.893 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.791 5.232 26.578 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.616 6.275 26.642 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -0.629 3.785 25.454 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -1.742 5.065 25.013 1.00 10.00 H new ATOM 1542 N ALA A 107 3.197 5.631 22.768 1.00 10.00 N ATOM 1543 CA ALA A 107 4.572 5.057 22.725 1.00 10.00 C ATOM 1544 C ALA A 107 5.533 5.941 23.522 1.00 10.00 C ATOM 1545 O ALA A 107 6.584 5.506 23.950 1.00 10.00 O ATOM 1546 CB ALA A 107 4.954 5.047 21.244 1.00 50.00 C ATOM 0 H ALA A 107 2.945 6.217 21.972 1.00 10.00 H new ATOM 0 HA ALA A 107 4.618 4.059 23.162 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.957 4.637 21.130 1.00 50.00 H new ATOM 0 HB2 ALA A 107 4.245 4.432 20.690 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.932 6.065 20.856 1.00 50.00 H new ATOM 1552 N ALA A 108 5.178 7.179 23.727 1.00 10.00 N ATOM 1553 CA ALA A 108 6.065 8.095 24.500 1.00 10.00 C ATOM 1554 C ALA A 108 5.400 8.474 25.826 1.00 10.00 C ATOM 1555 O ALA A 108 4.208 8.701 25.890 1.00 10.00 O ATOM 1556 CB ALA A 108 6.233 9.327 23.611 1.00 50.00 C ATOM 0 H ALA A 108 4.310 7.597 23.392 1.00 10.00 H new ATOM 0 HA ALA A 108 7.024 7.637 24.744 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.875 10.052 24.111 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.686 9.033 22.664 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.258 9.776 23.423 1.00 50.00 H new ATOM 1562 N ASP A 109 6.159 8.545 26.886 1.00 50.00 N ATOM 1563 CA ASP A 109 5.564 8.910 28.204 1.00 50.00 C ATOM 1564 C ASP A 109 4.763 10.210 28.079 1.00 50.00 C ATOM 1565 O ASP A 109 3.559 10.226 28.245 1.00 50.00 O ATOM 1566 CB ASP A 109 6.758 9.100 29.139 1.00 50.00 C ATOM 1567 CG ASP A 109 7.379 7.738 29.454 1.00 50.00 C ATOM 1568 OD1 ASP A 109 7.142 6.811 28.697 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.081 7.643 30.448 1.00 50.00 O ATOM 0 H ASP A 109 7.163 8.367 26.897 1.00 50.00 H new ATOM 0 HA ASP A 109 4.877 8.149 28.574 1.00 50.00 H new ATOM 0 HB2 ASP A 109 7.498 9.751 28.674 1.00 50.00 H new ATOM 0 HB3 ASP A 109 6.439 9.588 30.060 1.00 50.00 H new ATOM 1574 N GLU A 110 5.422 11.298 27.786 1.00 10.00 N ATOM 1575 CA GLU A 110 4.697 12.594 27.648 1.00 10.00 C ATOM 1576 C GLU A 110 4.242 12.792 26.199 1.00 10.00 C ATOM 1577 O GLU A 110 5.033 12.743 25.278 1.00 10.00 O ATOM 1578 CB GLU A 110 5.718 13.662 28.038 1.00 10.00 C ATOM 1579 CG GLU A 110 6.814 13.733 26.974 1.00 10.00 C ATOM 1580 CD GLU A 110 6.513 14.879 26.006 1.00 50.00 C ATOM 1581 OE1 GLU A 110 6.419 16.005 26.466 1.00 50.00 O ATOM 1582 OE2 GLU A 110 6.380 14.611 24.824 1.00 50.00 O ATOM 0 H GLU A 110 6.430 11.346 27.636 1.00 10.00 H new ATOM 0 HA GLU A 110 3.804 12.637 28.271 1.00 10.00 H new ATOM 0 HB2 GLU A 110 5.228 14.631 28.135 1.00 10.00 H new ATOM 0 HB3 GLU A 110 6.154 13.426 29.009 1.00 10.00 H new ATOM 0 HG2 GLU A 110 7.784 13.887 27.446 1.00 10.00 H new ATOM 0 HG3 GLU A 110 6.870 12.790 26.431 1.00 10.00 H new ATOM 1589 N VAL A 111 2.973 13.009 25.989 1.00 10.00 N ATOM 1590 CA VAL A 111 2.469 13.205 24.599 1.00 10.00 C ATOM 1591 C VAL A 111 1.402 14.303 24.571 1.00 10.00 C ATOM 1592 O VAL A 111 0.606 14.431 25.479 1.00 10.00 O ATOM 1593 CB VAL A 111 1.866 11.855 24.207 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.494 11.872 22.723 1.00 12.50 C ATOM 1595 CG2 VAL A 111 2.888 10.747 24.465 1.00 12.50 C ATOM 0 H VAL A 111 2.263 13.059 26.719 1.00 10.00 H new ATOM 0 HA VAL A 111 3.256 13.515 23.912 1.00 10.00 H new ATOM 0 HB VAL A 111 0.972 11.670 24.802 1.00 12.50 H new ATOM 0 HG11 VAL A 111 1.064 10.910 22.445 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.765 12.661 22.540 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.387 12.057 22.126 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.459 9.784 24.186 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.783 10.932 23.871 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.151 10.734 25.523 1.00 12.50 H new ATOM 1605 N LYS A 112 1.379 15.098 23.535 1.00 10.00 N ATOM 1606 CA LYS A 112 0.363 16.186 23.453 1.00 10.00 C ATOM 1607 C LYS A 112 -0.541 15.982 22.233 1.00 10.00 C ATOM 1608 O LYS A 112 -0.083 15.658 21.155 1.00 10.00 O ATOM 1609 CB LYS A 112 1.175 17.475 23.318 1.00 25.00 C ATOM 1610 CG LYS A 112 1.963 17.714 24.608 1.00 25.00 C ATOM 1611 CD LYS A 112 2.962 18.854 24.397 1.00 25.00 C ATOM 1612 CE LYS A 112 3.493 19.322 25.753 1.00 25.00 C ATOM 1613 NZ LYS A 112 2.833 20.635 25.992 1.00 25.00 N ATOM 0 H LYS A 112 2.019 15.041 22.743 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.291 16.207 24.325 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.856 17.402 22.470 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.512 18.317 23.122 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.281 17.961 25.422 1.00 25.00 H new ATOM 0 HG3 LYS A 112 2.490 16.805 24.898 1.00 25.00 H new ATOM 0 HD2 LYS A 112 3.786 18.518 23.768 1.00 25.00 H new ATOM 0 HD3 LYS A 112 2.481 19.682 23.877 1.00 25.00 H new ATOM 0 HE2 LYS A 112 3.249 18.608 26.540 1.00 25.00 H new ATOM 0 HE3 LYS A 112 4.578 19.422 25.739 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 2.759 20.805 27.015 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 3.397 21.392 25.555 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 1.881 20.627 25.573 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.823 16.163 22.399 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.767 15.980 21.258 1.00 10.00 C ATOM 1629 C ILE A 113 -4.088 16.702 21.541 1.00 10.00 C ATOM 1630 O ILE A 113 -4.525 16.796 22.671 1.00 10.00 O ATOM 1631 CB ILE A 113 -2.987 14.468 21.163 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.225 14.183 20.309 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.193 13.892 22.565 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -4.430 12.671 20.198 1.00 10.00 C ATOM 0 H ILE A 113 -2.260 16.431 23.281 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.376 16.393 20.328 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.114 14.004 20.704 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.104 14.648 20.756 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.104 14.618 19.317 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.350 12.815 22.497 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -2.311 14.093 23.174 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.065 14.357 23.025 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.311 12.467 19.590 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -3.555 12.218 19.732 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -4.570 12.249 21.193 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.728 17.208 20.523 1.00 10.00 N ATOM 1647 CA VAL A 114 -6.021 17.917 20.733 1.00 10.00 C ATOM 1648 C VAL A 114 -7.184 16.928 20.563 1.00 10.00 C ATOM 1649 O VAL A 114 -7.191 16.116 19.660 1.00 10.00 O ATOM 1650 CB VAL A 114 -6.031 19.031 19.665 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -7.207 18.865 18.692 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -6.145 20.388 20.360 1.00 50.00 C ATOM 0 H VAL A 114 -4.411 17.161 19.555 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.132 18.338 21.732 1.00 10.00 H new ATOM 0 HB VAL A 114 -5.104 18.967 19.095 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -7.184 19.666 17.953 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -7.128 17.903 18.186 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -8.145 18.908 19.245 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -6.153 21.181 19.612 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -7.069 20.425 20.937 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -5.295 20.528 21.027 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.163 16.988 21.425 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.312 16.046 21.304 1.00 10.00 C ATOM 1664 C TYR A 115 -10.534 16.768 20.719 1.00 10.00 C ATOM 1665 O TYR A 115 -10.595 17.981 20.688 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.560 15.542 22.739 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.748 16.238 23.373 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.669 17.593 23.716 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -11.926 15.522 23.616 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.768 18.230 24.302 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.025 16.160 24.201 1.00 50.00 C ATOM 1672 CZ TYR A 115 -12.947 17.515 24.544 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.031 18.144 25.122 1.00 50.00 O ATOM 0 H TYR A 115 -8.217 17.645 22.204 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.112 15.215 20.627 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -9.733 14.466 22.723 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.670 15.713 23.345 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.760 18.146 23.528 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -11.986 14.477 23.352 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.707 19.275 24.568 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -13.934 15.607 24.388 1.00 50.00 H new ATOM 0 HH TYR A 115 -13.733 18.963 25.570 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.503 16.027 20.252 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.719 16.665 19.668 1.00 10.00 C ATOM 1685 C ASN A 116 -12.364 17.390 18.366 1.00 10.00 C ATOM 1686 O ASN A 116 -12.781 18.508 18.136 1.00 10.00 O ATOM 1687 CB ASN A 116 -13.196 17.663 20.723 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.605 17.287 21.183 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -15.394 18.213 21.654 1.00 10.00 O flip ATOM 1690 ND2 ASN A 116 -14.992 16.138 21.113 1.00 10.00 N flip ATOM 0 H ASN A 116 -11.505 15.007 20.250 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.489 15.933 19.425 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.513 17.664 21.573 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -13.194 18.672 20.311 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -14.375 15.414 20.745 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -15.934 15.897 21.422 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.599 16.764 17.512 1.00 10.00 N ATOM 1698 CA ALA A 117 -11.225 17.424 16.228 1.00 10.00 C ATOM 1699 C ALA A 117 -12.470 17.633 15.362 1.00 10.00 C ATOM 1700 O ALA A 117 -12.479 18.447 14.460 1.00 10.00 O ATOM 1701 CB ALA A 117 -10.255 16.458 15.550 1.00 50.00 C ATOM 0 H ALA A 117 -11.218 15.827 17.647 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.776 18.405 16.383 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -9.934 16.875 14.596 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.386 16.306 16.190 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -10.752 15.503 15.380 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.521 16.906 15.627 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.760 17.069 14.816 1.00 12.50 C ATOM 1709 C LYS A 118 -15.124 18.552 14.709 1.00 12.50 C ATOM 1710 O LYS A 118 -15.805 18.968 13.794 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.841 16.302 15.581 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.852 16.752 17.043 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.153 16.297 17.705 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.019 17.518 18.024 1.00 50.00 C ATOM 1715 NZ LYS A 118 -18.967 17.051 19.074 1.00 50.00 N ATOM 0 H LYS A 118 -13.575 16.208 16.369 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.643 16.695 13.799 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.816 16.479 15.128 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -15.652 15.230 15.521 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -14.996 16.331 17.571 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -15.761 17.837 17.102 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.692 15.619 17.044 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -16.934 15.744 18.619 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -17.412 18.350 18.381 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.551 17.868 17.139 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -19.596 17.833 19.346 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -19.535 16.263 18.703 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -18.432 16.731 19.907 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.670 19.351 15.634 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.983 20.807 15.579 1.00 50.00 C ATOM 1728 C HIS A 119 -14.358 21.424 14.327 1.00 50.00 C ATOM 1729 O HIS A 119 -14.827 22.420 13.811 1.00 50.00 O ATOM 1730 CB HIS A 119 -14.354 21.397 16.842 1.00 50.00 C ATOM 1731 CG HIS A 119 -15.119 20.932 18.051 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -16.505 20.947 18.099 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.707 20.439 19.264 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.873 20.476 19.304 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.816 20.151 20.053 1.00 50.00 N ATOM 0 H HIS A 119 -14.096 19.059 16.425 1.00 50.00 H new ATOM 0 HA HIS A 119 -16.054 21.002 15.533 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -13.311 21.090 16.919 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -14.363 22.486 16.790 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.678 20.296 19.561 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.899 20.373 19.627 1.00 50.00 H new ATOM 0 HE2 HIS A 119 -15.821 19.773 21.000 1.00 50.00 H new ATOM 1743 N LEU A 120 -13.302 20.837 13.831 1.00 12.50 N ATOM 1744 CA LEU A 120 -12.645 21.385 12.610 1.00 12.50 C ATOM 1745 C LEU A 120 -13.702 21.796 11.582 1.00 12.50 C ATOM 1746 O LEU A 120 -14.619 21.054 11.289 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.793 20.234 12.072 1.00 12.50 C ATOM 1748 CG LEU A 120 -10.470 20.785 11.534 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -9.336 20.406 12.487 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -10.195 20.192 10.151 1.00 12.50 C ATOM 0 H LEU A 120 -12.866 20.001 14.219 1.00 12.50 H new ATOM 0 HA LEU A 120 -12.047 22.271 12.823 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.602 19.509 12.863 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -12.329 19.710 11.281 1.00 12.50 H new ATOM 0 HG LEU A 120 -10.532 21.870 11.457 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -8.393 20.798 12.105 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -9.532 20.829 13.472 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -9.273 19.321 12.564 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -9.253 20.584 9.768 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -10.132 19.106 10.227 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -11.004 20.462 9.472 1.00 12.50 H new