USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 731 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 62 TYR OH : rot 42:sc= 1.21 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -0.464 K(o=0.74,f=-0.085) USER MOD Set 2.1: A 50 CYS SG : rot 180:sc= -0.649 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.23 (180deg=0.817) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0536 X(o=-0.054,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0714 X(o=-0.071,f=-0.019) USER MOD Single : A 14 SER OG : rot -2:sc= 0.422 USER MOD Single : A 16 HIS : no HE2:sc= 0.387 K(o=0.39,f=-4.5!) USER MOD Single : A 18 HIS : no HE2:sc= -0.95 K(o=-0.95,f=-3.8!) USER MOD Single : A 20 THR OG1 : rot 100:sc= 0.721 USER MOD Single : A 21 HIS : no HE2:sc= -0.386! C(o=-0.39!,f=-6.5!) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.0138 F(o=-0.98,f=-0.014) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 49:sc= 0.51 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -160:sc= 0 (180deg=-0.572) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -132:sc= 2.16 (180deg=0.605) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc=-0.00351 X(o=-0.0035,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.014 USER MOD Single : A 57 MET CE :methyl -160:sc= -0.119 (180deg=-0.709) USER MOD Single : A 65 SER OG : rot -5:sc= 0.979 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.02) USER MOD Single : A 73 SER OG : rot -42:sc= 0.644 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.037 13.207 -22.203 1.00 0.00 N ATOM 2 CA MET A 1 2.354 12.210 -21.354 1.00 52.33 C ATOM 3 C MET A 1 3.357 11.191 -20.836 1.00 51.52 C ATOM 4 O MET A 1 4.098 10.577 -21.607 1.00 52.22 O ATOM 5 CB MET A 1 1.237 11.505 -22.135 1.00 4.21 C ATOM 6 CG MET A 1 0.046 12.398 -22.463 1.00 63.13 C ATOM 7 SD MET A 1 0.458 13.753 -23.582 1.00 62.22 S ATOM 8 CE MET A 1 -1.129 14.570 -23.729 1.00 35.50 C ATOM 0 H1 MET A 1 2.331 13.738 -22.751 1.00 0.00 H new ATOM 0 H2 MET A 1 3.575 13.864 -21.603 1.00 0.00 H new ATOM 0 H3 MET A 1 3.687 12.722 -22.854 1.00 0.00 H new ATOM 0 HA MET A 1 1.905 12.728 -20.507 1.00 52.33 H new ATOM 0 HB2 MET A 1 1.650 11.113 -23.064 1.00 4.21 H new ATOM 0 HB3 MET A 1 0.888 10.650 -21.556 1.00 4.21 H new ATOM 0 HG2 MET A 1 -0.741 11.792 -22.911 1.00 63.13 H new ATOM 0 HG3 MET A 1 -0.357 12.810 -21.538 1.00 63.13 H new ATOM 0 HE1 MET A 1 -1.035 15.431 -24.391 1.00 35.50 H new ATOM 0 HE2 MET A 1 -1.860 13.874 -24.140 1.00 35.50 H new ATOM 0 HE3 MET A 1 -1.459 14.904 -22.745 1.00 35.50 H new ATOM 20 N GLY A 2 3.385 11.026 -19.525 1.00 40.51 N ATOM 21 CA GLY A 2 4.350 10.144 -18.909 1.00 2.31 C ATOM 22 C GLY A 2 3.741 8.832 -18.464 1.00 53.45 C ATOM 23 O GLY A 2 4.117 8.294 -17.425 1.00 24.12 O ATOM 0 H GLY A 2 2.753 11.490 -18.873 1.00 40.51 H new ATOM 0 HA2 GLY A 2 5.156 9.945 -19.615 1.00 2.31 H new ATOM 0 HA3 GLY A 2 4.795 10.643 -18.049 1.00 2.31 H new ATOM 27 N HIS A 3 2.795 8.320 -19.241 1.00 60.20 N ATOM 28 CA HIS A 3 2.187 7.033 -18.940 1.00 61.21 C ATOM 29 C HIS A 3 2.861 5.960 -19.783 1.00 64.15 C ATOM 30 O HIS A 3 2.628 5.861 -20.987 1.00 5.23 O ATOM 31 CB HIS A 3 0.681 7.060 -19.215 1.00 55.24 C ATOM 32 CG HIS A 3 -0.117 6.226 -18.256 1.00 61.24 C ATOM 33 ND1 HIS A 3 -1.235 6.701 -17.606 1.00 20.42 N ATOM 34 CD2 HIS A 3 0.047 4.953 -17.829 1.00 43.31 C ATOM 35 CE1 HIS A 3 -1.721 5.761 -16.821 1.00 33.04 C ATOM 36 NE2 HIS A 3 -0.963 4.690 -16.937 1.00 21.10 N ATOM 0 H HIS A 3 2.434 8.774 -20.080 1.00 60.20 H new ATOM 0 HA HIS A 3 2.325 6.811 -17.882 1.00 61.21 H new ATOM 0 HB2 HIS A 3 0.329 8.091 -19.168 1.00 55.24 H new ATOM 0 HB3 HIS A 3 0.499 6.707 -20.230 1.00 55.24 H new ATOM 0 HD2 HIS A 3 0.827 4.271 -18.133 1.00 43.31 H new ATOM 0 HE1 HIS A 3 -2.593 5.853 -16.190 1.00 33.04 H new ATOM 0 HE2 HIS A 3 -1.104 3.808 -16.444 1.00 21.10 H new ATOM 45 N HIS A 4 3.715 5.176 -19.149 1.00 2.14 N ATOM 46 CA HIS A 4 4.521 4.195 -19.865 1.00 42.34 C ATOM 47 C HIS A 4 4.305 2.793 -19.312 1.00 40.15 C ATOM 48 O HIS A 4 4.019 2.619 -18.128 1.00 21.44 O ATOM 49 CB HIS A 4 6.010 4.574 -19.811 1.00 52.44 C ATOM 50 CG HIS A 4 6.546 4.803 -18.426 1.00 43.21 C ATOM 51 ND1 HIS A 4 7.186 3.831 -17.690 1.00 12.32 N ATOM 52 CD2 HIS A 4 6.542 5.912 -17.651 1.00 2.11 C ATOM 53 CE1 HIS A 4 7.549 4.333 -16.523 1.00 3.55 C ATOM 54 NE2 HIS A 4 7.171 5.592 -16.475 1.00 63.02 N ATOM 0 H HIS A 4 3.870 5.197 -18.141 1.00 2.14 H new ATOM 0 HA HIS A 4 4.200 4.197 -20.907 1.00 42.34 H new ATOM 0 HB2 HIS A 4 6.591 3.783 -20.285 1.00 52.44 H new ATOM 0 HB3 HIS A 4 6.163 5.478 -20.400 1.00 52.44 H new ATOM 0 HD2 HIS A 4 6.121 6.872 -17.911 1.00 2.11 H new ATOM 0 HE1 HIS A 4 8.068 3.800 -15.741 1.00 3.55 H new ATOM 0 HE2 HIS A 4 7.321 6.227 -15.691 1.00 63.02 H new ATOM 63 N HIS A 5 4.442 1.795 -20.178 1.00 43.12 N ATOM 64 CA HIS A 5 4.255 0.407 -19.778 1.00 72.10 C ATOM 65 C HIS A 5 5.151 -0.507 -20.603 1.00 11.24 C ATOM 66 O HIS A 5 5.456 -0.207 -21.759 1.00 60.15 O ATOM 67 CB HIS A 5 2.782 -0.017 -19.929 1.00 33.22 C ATOM 68 CG HIS A 5 2.274 -0.029 -21.349 1.00 44.43 C ATOM 69 ND1 HIS A 5 1.546 1.003 -21.896 1.00 54.54 N ATOM 70 CD2 HIS A 5 2.398 -0.956 -22.330 1.00 70.24 C ATOM 71 CE1 HIS A 5 1.244 0.717 -23.148 1.00 44.12 C ATOM 72 NE2 HIS A 5 1.751 -0.467 -23.439 1.00 52.11 N ATOM 0 H HIS A 5 4.682 1.922 -21.161 1.00 43.12 H new ATOM 0 HA HIS A 5 4.530 0.318 -18.727 1.00 72.10 H new ATOM 0 HB2 HIS A 5 2.659 -1.014 -19.505 1.00 33.22 H new ATOM 0 HB3 HIS A 5 2.161 0.659 -19.341 1.00 33.22 H new ATOM 0 HD2 HIS A 5 2.911 -1.904 -22.254 1.00 70.24 H new ATOM 0 HE1 HIS A 5 0.678 1.345 -23.821 1.00 44.12 H new ATOM 0 HE2 HIS A 5 1.675 -0.941 -24.339 1.00 52.11 H new ATOM 81 N HIS A 6 5.574 -1.608 -20.001 1.00 22.14 N ATOM 82 CA HIS A 6 6.356 -2.620 -20.703 1.00 41.45 C ATOM 83 C HIS A 6 5.672 -3.971 -20.574 1.00 44.33 C ATOM 84 O HIS A 6 4.877 -4.182 -19.656 1.00 43.12 O ATOM 85 CB HIS A 6 7.784 -2.709 -20.149 1.00 21.34 C ATOM 86 CG HIS A 6 8.667 -1.559 -20.534 1.00 15.12 C ATOM 87 ND1 HIS A 6 9.841 -1.253 -19.876 1.00 75.03 N ATOM 88 CD2 HIS A 6 8.546 -0.644 -21.523 1.00 4.42 C ATOM 89 CE1 HIS A 6 10.398 -0.199 -20.443 1.00 72.10 C ATOM 90 NE2 HIS A 6 9.633 0.184 -21.445 1.00 11.31 N ATOM 0 H HIS A 6 5.389 -1.826 -19.022 1.00 22.14 H new ATOM 0 HA HIS A 6 6.419 -2.333 -21.753 1.00 41.45 H new ATOM 0 HB2 HIS A 6 7.737 -2.768 -19.062 1.00 21.34 H new ATOM 0 HB3 HIS A 6 8.240 -3.635 -20.499 1.00 21.34 H new ATOM 0 HD2 HIS A 6 7.741 -0.579 -22.241 1.00 4.42 H new ATOM 0 HE1 HIS A 6 11.322 0.269 -20.138 1.00 72.10 H new ATOM 0 HE2 HIS A 6 9.821 0.972 -22.064 1.00 11.31 H new ATOM 99 N HIS A 7 5.979 -4.888 -21.481 1.00 12.23 N ATOM 100 CA HIS A 7 5.405 -6.228 -21.424 1.00 4.11 C ATOM 101 C HIS A 7 6.216 -7.127 -20.497 1.00 14.23 C ATOM 102 O HIS A 7 6.812 -8.112 -20.929 1.00 53.31 O ATOM 103 CB HIS A 7 5.310 -6.857 -22.817 1.00 14.12 C ATOM 104 CG HIS A 7 4.074 -6.477 -23.574 1.00 64.01 C ATOM 105 ND1 HIS A 7 2.955 -7.279 -23.622 1.00 42.22 N ATOM 106 CD2 HIS A 7 3.781 -5.384 -24.318 1.00 0.23 C ATOM 107 CE1 HIS A 7 2.031 -6.699 -24.362 1.00 21.22 C ATOM 108 NE2 HIS A 7 2.505 -5.547 -24.799 1.00 12.30 N ATOM 0 H HIS A 7 6.618 -4.732 -22.261 1.00 12.23 H new ATOM 0 HA HIS A 7 4.395 -6.132 -21.025 1.00 4.11 H new ATOM 0 HB2 HIS A 7 6.184 -6.563 -23.398 1.00 14.12 H new ATOM 0 HB3 HIS A 7 5.344 -7.942 -22.718 1.00 14.12 H new ATOM 0 HD2 HIS A 7 4.430 -4.540 -24.499 1.00 0.23 H new ATOM 0 HE1 HIS A 7 1.051 -7.099 -24.575 1.00 21.22 H new ATOM 0 HE2 HIS A 7 2.006 -4.887 -25.395 1.00 12.30 H new ATOM 117 N HIS A 8 6.241 -6.767 -19.223 1.00 24.21 N ATOM 118 CA HIS A 8 6.910 -7.574 -18.217 1.00 22.23 C ATOM 119 C HIS A 8 5.984 -8.695 -17.765 1.00 75.40 C ATOM 120 O HIS A 8 4.880 -8.439 -17.282 1.00 22.05 O ATOM 121 CB HIS A 8 7.330 -6.706 -17.025 1.00 52.43 C ATOM 122 CG HIS A 8 8.012 -7.469 -15.927 1.00 1.23 C ATOM 123 ND1 HIS A 8 7.511 -7.561 -14.646 1.00 74.01 N ATOM 124 CD2 HIS A 8 9.172 -8.169 -15.924 1.00 70.44 C ATOM 125 CE1 HIS A 8 8.332 -8.282 -13.905 1.00 30.34 C ATOM 126 NE2 HIS A 8 9.345 -8.663 -14.656 1.00 52.40 N ATOM 0 H HIS A 8 5.804 -5.919 -18.862 1.00 24.21 H new ATOM 0 HA HIS A 8 7.810 -8.011 -18.650 1.00 22.23 H new ATOM 0 HB2 HIS A 8 7.999 -5.921 -17.378 1.00 52.43 H new ATOM 0 HB3 HIS A 8 6.447 -6.214 -16.618 1.00 52.43 H new ATOM 0 HD2 HIS A 8 9.837 -8.311 -16.763 1.00 70.44 H new ATOM 0 HE1 HIS A 8 8.196 -8.519 -12.860 1.00 30.34 H new ATOM 0 HE2 HIS A 8 10.131 -9.233 -14.345 1.00 52.40 H new ATOM 135 N SER A 9 6.432 -9.924 -17.945 1.00 64.13 N ATOM 136 CA SER A 9 5.638 -11.087 -17.595 1.00 74.31 C ATOM 137 C SER A 9 5.654 -11.339 -16.089 1.00 4.31 C ATOM 138 O SER A 9 6.689 -11.687 -15.515 1.00 51.53 O ATOM 139 CB SER A 9 6.154 -12.317 -18.342 1.00 1.33 C ATOM 140 OG SER A 9 6.116 -12.114 -19.746 1.00 73.22 O ATOM 0 H SER A 9 7.349 -10.143 -18.335 1.00 64.13 H new ATOM 0 HA SER A 9 4.607 -10.893 -17.890 1.00 74.31 H new ATOM 0 HB2 SER A 9 7.176 -12.534 -18.030 1.00 1.33 H new ATOM 0 HB3 SER A 9 5.550 -13.186 -18.080 1.00 1.33 H new ATOM 0 HG SER A 9 6.453 -12.914 -20.201 1.00 73.22 H new ATOM 146 N HIS A 10 4.509 -11.137 -15.456 1.00 62.00 N ATOM 147 CA HIS A 10 4.346 -11.467 -14.047 1.00 14.43 C ATOM 148 C HIS A 10 3.756 -12.865 -13.928 1.00 33.35 C ATOM 149 O HIS A 10 3.085 -13.331 -14.846 1.00 42.21 O ATOM 150 CB HIS A 10 3.460 -10.434 -13.323 1.00 62.43 C ATOM 151 CG HIS A 10 2.068 -10.285 -13.877 1.00 61.55 C ATOM 152 ND1 HIS A 10 1.674 -9.201 -14.630 1.00 21.32 N ATOM 153 CD2 HIS A 10 0.970 -11.071 -13.760 1.00 12.20 C ATOM 154 CE1 HIS A 10 0.400 -9.327 -14.951 1.00 22.41 C ATOM 155 NE2 HIS A 10 -0.053 -10.453 -14.435 1.00 13.34 N ATOM 0 H HIS A 10 3.676 -10.745 -15.896 1.00 62.00 H new ATOM 0 HA HIS A 10 5.323 -11.442 -13.565 1.00 14.43 H new ATOM 0 HB2 HIS A 10 3.388 -10.714 -12.272 1.00 62.43 H new ATOM 0 HB3 HIS A 10 3.955 -9.464 -13.361 1.00 62.43 H new ATOM 0 HD2 HIS A 10 0.911 -12.011 -13.232 1.00 12.20 H new ATOM 0 HE1 HIS A 10 -0.175 -8.626 -15.538 1.00 22.41 H new ATOM 0 HE2 HIS A 10 -1.006 -10.806 -14.523 1.00 13.34 H new ATOM 164 N GLY A 11 4.019 -13.536 -12.819 1.00 41.04 N ATOM 165 CA GLY A 11 3.499 -14.877 -12.627 1.00 22.33 C ATOM 166 C GLY A 11 2.024 -14.886 -12.285 1.00 60.54 C ATOM 167 O GLY A 11 1.194 -14.385 -13.050 1.00 53.11 O ATOM 0 H GLY A 11 4.582 -13.179 -12.047 1.00 41.04 H new ATOM 0 HA2 GLY A 11 3.661 -15.459 -13.534 1.00 22.33 H new ATOM 0 HA3 GLY A 11 4.056 -15.368 -11.829 1.00 22.33 H new ATOM 171 N ASP A 12 1.691 -15.452 -11.141 1.00 53.11 N ATOM 172 CA ASP A 12 0.309 -15.500 -10.693 1.00 62.11 C ATOM 173 C ASP A 12 0.244 -15.302 -9.185 1.00 72.42 C ATOM 174 O ASP A 12 0.097 -16.261 -8.428 1.00 51.21 O ATOM 175 CB ASP A 12 -0.345 -16.828 -11.092 1.00 15.33 C ATOM 176 CG ASP A 12 -1.843 -16.840 -10.850 1.00 21.12 C ATOM 177 OD1 ASP A 12 -2.597 -16.428 -11.757 1.00 52.43 O ATOM 178 OD2 ASP A 12 -2.275 -17.275 -9.764 1.00 60.02 O ATOM 0 H ASP A 12 2.358 -15.886 -10.503 1.00 53.11 H new ATOM 0 HA ASP A 12 -0.243 -14.694 -11.177 1.00 62.11 H new ATOM 0 HB2 ASP A 12 -0.150 -17.022 -12.147 1.00 15.33 H new ATOM 0 HB3 ASP A 12 0.116 -17.639 -10.529 1.00 15.33 H new ATOM 183 N ASP A 13 0.410 -14.055 -8.765 1.00 60.33 N ATOM 184 CA ASP A 13 0.360 -13.687 -7.351 1.00 11.14 C ATOM 185 C ASP A 13 0.530 -12.180 -7.224 1.00 44.13 C ATOM 186 O ASP A 13 1.433 -11.600 -7.833 1.00 33.31 O ATOM 187 CB ASP A 13 1.464 -14.401 -6.556 1.00 71.45 C ATOM 188 CG ASP A 13 1.189 -14.415 -5.063 1.00 34.23 C ATOM 189 OD1 ASP A 13 1.252 -13.347 -4.422 1.00 71.53 O ATOM 190 OD2 ASP A 13 0.888 -15.502 -4.524 1.00 34.31 O ATOM 0 H ASP A 13 0.583 -13.269 -9.392 1.00 60.33 H new ATOM 0 HA ASP A 13 -0.603 -13.992 -6.943 1.00 11.14 H new ATOM 0 HB2 ASP A 13 1.560 -15.426 -6.914 1.00 71.45 H new ATOM 0 HB3 ASP A 13 2.418 -13.908 -6.742 1.00 71.45 H new ATOM 195 N SER A 14 -0.351 -11.539 -6.475 1.00 35.35 N ATOM 196 CA SER A 14 -0.289 -10.096 -6.292 1.00 15.54 C ATOM 197 C SER A 14 -0.966 -9.683 -4.986 1.00 4.50 C ATOM 198 O SER A 14 -2.152 -9.951 -4.779 1.00 52.35 O ATOM 199 CB SER A 14 -0.951 -9.383 -7.475 1.00 3.23 C ATOM 200 OG SER A 14 -0.290 -9.681 -8.698 1.00 41.23 O ATOM 0 H SER A 14 -1.119 -11.994 -5.982 1.00 35.35 H new ATOM 0 HA SER A 14 0.760 -9.804 -6.243 1.00 15.54 H new ATOM 0 HB2 SER A 14 -1.997 -9.682 -7.543 1.00 3.23 H new ATOM 0 HB3 SER A 14 -0.938 -8.306 -7.306 1.00 3.23 H new ATOM 0 HG SER A 14 0.475 -10.267 -8.522 1.00 41.23 H new ATOM 206 N VAL A 15 -0.210 -9.029 -4.112 1.00 41.23 N ATOM 207 CA VAL A 15 -0.743 -8.560 -2.838 1.00 51.21 C ATOM 208 C VAL A 15 -1.582 -7.300 -3.041 1.00 72.33 C ATOM 209 O VAL A 15 -1.168 -6.373 -3.733 1.00 44.53 O ATOM 210 CB VAL A 15 0.381 -8.291 -1.805 1.00 54.15 C ATOM 211 CG1 VAL A 15 1.077 -9.591 -1.432 1.00 71.35 C ATOM 212 CG2 VAL A 15 1.393 -7.286 -2.335 1.00 52.14 C ATOM 0 H VAL A 15 0.775 -8.811 -4.262 1.00 41.23 H new ATOM 0 HA VAL A 15 -1.377 -9.353 -2.440 1.00 51.21 H new ATOM 0 HB VAL A 15 -0.080 -7.865 -0.914 1.00 54.15 H new ATOM 0 HG11 VAL A 15 1.864 -9.387 -0.706 1.00 71.35 H new ATOM 0 HG12 VAL A 15 0.353 -10.280 -0.998 1.00 71.35 H new ATOM 0 HG13 VAL A 15 1.514 -10.039 -2.325 1.00 71.35 H new ATOM 0 HG21 VAL A 15 2.167 -7.120 -1.586 1.00 52.14 H new ATOM 0 HG22 VAL A 15 1.847 -7.673 -3.247 1.00 52.14 H new ATOM 0 HG23 VAL A 15 0.890 -6.344 -2.552 1.00 52.14 H new ATOM 222 N HIS A 16 -2.764 -7.278 -2.443 1.00 33.31 N ATOM 223 CA HIS A 16 -3.724 -6.205 -2.688 1.00 2.11 C ATOM 224 C HIS A 16 -3.527 -5.039 -1.723 1.00 52.31 C ATOM 225 O HIS A 16 -4.140 -4.992 -0.656 1.00 61.32 O ATOM 226 CB HIS A 16 -5.160 -6.726 -2.565 1.00 32.50 C ATOM 227 CG HIS A 16 -5.497 -7.836 -3.510 1.00 43.44 C ATOM 228 ND1 HIS A 16 -6.074 -9.020 -3.103 1.00 3.03 N ATOM 229 CD2 HIS A 16 -5.358 -7.931 -4.853 1.00 25.14 C ATOM 230 CE1 HIS A 16 -6.275 -9.792 -4.151 1.00 63.32 C ATOM 231 NE2 HIS A 16 -5.851 -9.155 -5.223 1.00 41.45 N ATOM 0 H HIS A 16 -3.084 -7.989 -1.785 1.00 33.31 H new ATOM 0 HA HIS A 16 -3.550 -5.847 -3.703 1.00 2.11 H new ATOM 0 HB2 HIS A 16 -5.322 -7.072 -1.544 1.00 32.50 H new ATOM 0 HB3 HIS A 16 -5.850 -5.899 -2.734 1.00 32.50 H new ATOM 0 HD1 HIS A 16 -6.309 -9.261 -2.140 1.00 3.03 H new ATOM 0 HD2 HIS A 16 -4.938 -7.183 -5.509 1.00 25.14 H new ATOM 0 HE1 HIS A 16 -6.713 -10.779 -4.134 1.00 63.32 H new ATOM 240 N LEU A 17 -2.670 -4.101 -2.089 1.00 20.30 N ATOM 241 CA LEU A 17 -2.486 -2.907 -1.284 1.00 14.53 C ATOM 242 C LEU A 17 -3.544 -1.875 -1.654 1.00 64.25 C ATOM 243 O LEU A 17 -3.440 -1.196 -2.677 1.00 42.03 O ATOM 244 CB LEU A 17 -1.076 -2.333 -1.461 1.00 50.33 C ATOM 245 CG LEU A 17 0.065 -3.271 -1.049 1.00 51.01 C ATOM 246 CD1 LEU A 17 1.413 -2.604 -1.275 1.00 4.01 C ATOM 247 CD2 LEU A 17 -0.083 -3.692 0.409 1.00 4.33 C ATOM 0 H LEU A 17 -2.096 -4.142 -2.931 1.00 20.30 H new ATOM 0 HA LEU A 17 -2.600 -3.171 -0.233 1.00 14.53 H new ATOM 0 HB2 LEU A 17 -0.941 -2.059 -2.507 1.00 50.33 H new ATOM 0 HB3 LEU A 17 -0.999 -1.415 -0.879 1.00 50.33 H new ATOM 0 HG LEU A 17 0.013 -4.165 -1.671 1.00 51.01 H new ATOM 0 HD11 LEU A 17 2.210 -3.285 -0.977 1.00 4.01 H new ATOM 0 HD12 LEU A 17 1.524 -2.356 -2.331 1.00 4.01 H new ATOM 0 HD13 LEU A 17 1.472 -1.693 -0.680 1.00 4.01 H new ATOM 0 HD21 LEU A 17 0.737 -4.357 0.681 1.00 4.33 H new ATOM 0 HD22 LEU A 17 -0.060 -2.808 1.047 1.00 4.33 H new ATOM 0 HD23 LEU A 17 -1.032 -4.212 0.543 1.00 4.33 H new ATOM 259 N HIS A 18 -4.578 -1.785 -0.832 1.00 40.24 N ATOM 260 CA HIS A 18 -5.699 -0.898 -1.111 1.00 61.11 C ATOM 261 C HIS A 18 -5.348 0.527 -0.709 1.00 74.43 C ATOM 262 O HIS A 18 -5.213 0.825 0.478 1.00 64.01 O ATOM 263 CB HIS A 18 -6.962 -1.354 -0.366 1.00 65.23 C ATOM 264 CG HIS A 18 -7.314 -2.804 -0.557 1.00 53.24 C ATOM 265 ND1 HIS A 18 -7.364 -3.422 -1.788 1.00 73.50 N ATOM 266 CD2 HIS A 18 -7.637 -3.759 0.348 1.00 72.42 C ATOM 267 CE1 HIS A 18 -7.707 -4.685 -1.631 1.00 41.02 C ATOM 268 NE2 HIS A 18 -7.875 -4.918 -0.346 1.00 54.01 N ATOM 0 H HIS A 18 -4.665 -2.315 0.035 1.00 40.24 H new ATOM 0 HA HIS A 18 -5.901 -0.933 -2.181 1.00 61.11 H new ATOM 0 HB2 HIS A 18 -6.828 -1.164 0.699 1.00 65.23 H new ATOM 0 HB3 HIS A 18 -7.803 -0.743 -0.696 1.00 65.23 H new ATOM 0 HD1 HIS A 18 -7.166 -2.972 -2.682 1.00 73.50 H new ATOM 0 HD2 HIS A 18 -7.696 -3.631 1.419 1.00 72.42 H new ATOM 0 HE1 HIS A 18 -7.830 -5.408 -2.424 1.00 41.02 H new ATOM 277 N ILE A 19 -5.195 1.397 -1.698 1.00 21.32 N ATOM 278 CA ILE A 19 -4.819 2.781 -1.446 1.00 24.42 C ATOM 279 C ILE A 19 -6.046 3.614 -1.095 1.00 24.30 C ATOM 280 O ILE A 19 -6.889 3.894 -1.951 1.00 13.41 O ATOM 281 CB ILE A 19 -4.105 3.408 -2.668 1.00 12.54 C ATOM 282 CG1 ILE A 19 -2.882 2.573 -3.064 1.00 52.03 C ATOM 283 CG2 ILE A 19 -3.696 4.847 -2.376 1.00 1.41 C ATOM 284 CD1 ILE A 19 -1.840 2.456 -1.974 1.00 30.50 C ATOM 0 H ILE A 19 -5.326 1.168 -2.683 1.00 21.32 H new ATOM 0 HA ILE A 19 -4.127 2.780 -0.604 1.00 24.42 H new ATOM 0 HB ILE A 19 -4.805 3.415 -3.504 1.00 12.54 H new ATOM 0 HG12 ILE A 19 -3.213 1.573 -3.346 1.00 52.03 H new ATOM 0 HG13 ILE A 19 -2.422 3.017 -3.947 1.00 52.03 H new ATOM 0 HG21 ILE A 19 -3.196 5.267 -3.249 1.00 1.41 H new ATOM 0 HG22 ILE A 19 -4.583 5.438 -2.146 1.00 1.41 H new ATOM 0 HG23 ILE A 19 -3.016 4.866 -1.524 1.00 1.41 H new ATOM 0 HD11 ILE A 19 -1.007 1.851 -2.331 1.00 30.50 H new ATOM 0 HD12 ILE A 19 -1.479 3.449 -1.708 1.00 30.50 H new ATOM 0 HD13 ILE A 19 -2.282 1.983 -1.097 1.00 30.50 H new ATOM 296 N THR A 20 -6.150 3.990 0.166 1.00 52.13 N ATOM 297 CA THR A 20 -7.275 4.777 0.638 1.00 51.42 C ATOM 298 C THR A 20 -6.785 6.126 1.172 1.00 15.14 C ATOM 299 O THR A 20 -5.697 6.221 1.734 1.00 22.32 O ATOM 300 CB THR A 20 -8.043 4.025 1.746 1.00 32.24 C ATOM 301 OG1 THR A 20 -8.263 2.662 1.351 1.00 43.40 O ATOM 302 CG2 THR A 20 -9.384 4.690 2.026 1.00 12.33 C ATOM 0 H THR A 20 -5.465 3.762 0.886 1.00 52.13 H new ATOM 0 HA THR A 20 -7.951 4.945 -0.201 1.00 51.42 H new ATOM 0 HB THR A 20 -7.441 4.053 2.654 1.00 32.24 H new ATOM 0 HG1 THR A 20 -7.599 2.085 1.783 1.00 43.40 H new ATOM 0 HG21 THR A 20 -9.906 4.141 2.810 1.00 12.33 H new ATOM 0 HG22 THR A 20 -9.220 5.718 2.350 1.00 12.33 H new ATOM 0 HG23 THR A 20 -9.988 4.688 1.119 1.00 12.33 H new ATOM 310 N HIS A 21 -7.582 7.170 0.987 1.00 31.05 N ATOM 311 CA HIS A 21 -7.206 8.509 1.425 1.00 21.45 C ATOM 312 C HIS A 21 -8.204 9.062 2.431 1.00 24.42 C ATOM 313 O HIS A 21 -9.206 8.420 2.751 1.00 55.44 O ATOM 314 CB HIS A 21 -7.124 9.466 0.231 1.00 73.13 C ATOM 315 CG HIS A 21 -5.799 9.494 -0.462 1.00 50.33 C ATOM 316 ND1 HIS A 21 -4.793 10.358 -0.108 1.00 50.44 N ATOM 317 CD2 HIS A 21 -5.334 8.796 -1.525 1.00 11.14 C ATOM 318 CE1 HIS A 21 -3.768 10.195 -0.915 1.00 24.02 C ATOM 319 NE2 HIS A 21 -4.067 9.252 -1.791 1.00 50.43 N ATOM 0 H HIS A 21 -8.495 7.116 0.536 1.00 31.05 H new ATOM 0 HA HIS A 21 -6.228 8.430 1.900 1.00 21.45 H new ATOM 0 HB2 HIS A 21 -7.890 9.188 -0.492 1.00 73.13 H new ATOM 0 HB3 HIS A 21 -7.360 10.473 0.574 1.00 73.13 H new ATOM 0 HD1 HIS A 21 -4.834 11.024 0.663 1.00 50.44 H new ATOM 0 HD2 HIS A 21 -5.862 8.023 -2.064 1.00 11.14 H new ATOM 0 HE1 HIS A 21 -2.837 10.741 -0.870 1.00 24.02 H new ATOM 328 N ALA A 22 -7.908 10.253 2.928 1.00 23.23 N ATOM 329 CA ALA A 22 -8.837 11.001 3.757 1.00 44.21 C ATOM 330 C ALA A 22 -9.355 12.194 2.965 1.00 32.32 C ATOM 331 O ALA A 22 -10.501 12.614 3.122 1.00 30.21 O ATOM 332 CB ALA A 22 -8.169 11.461 5.044 1.00 32.54 C ATOM 0 H ALA A 22 -7.019 10.726 2.768 1.00 23.23 H new ATOM 0 HA ALA A 22 -9.671 10.356 4.034 1.00 44.21 H new ATOM 0 HB1 ALA A 22 -8.886 12.019 5.647 1.00 32.54 H new ATOM 0 HB2 ALA A 22 -7.822 10.593 5.604 1.00 32.54 H new ATOM 0 HB3 ALA A 22 -7.320 12.102 4.805 1.00 32.54 H new ATOM 338 N ASN A 23 -8.490 12.728 2.104 1.00 2.41 N ATOM 339 CA ASN A 23 -8.867 13.809 1.196 1.00 54.04 C ATOM 340 C ASN A 23 -9.832 13.269 0.147 1.00 72.41 C ATOM 341 O ASN A 23 -10.742 13.963 -0.308 1.00 61.42 O ATOM 342 CB ASN A 23 -7.621 14.396 0.519 1.00 20.33 C ATOM 343 CG ASN A 23 -7.913 15.628 -0.321 1.00 50.10 C ATOM 344 OD1 ASN A 23 -8.886 16.426 0.094 1.00 72.22 O flip ATOM 345 ND2 ASN A 23 -7.252 15.870 -1.331 1.00 43.45 N flip ATOM 0 H ASN A 23 -7.519 12.428 2.017 1.00 2.41 H new ATOM 0 HA ASN A 23 -9.354 14.603 1.763 1.00 54.04 H new ATOM 0 HB2 ASN A 23 -6.888 14.653 1.284 1.00 20.33 H new ATOM 0 HB3 ASN A 23 -7.167 13.633 -0.114 1.00 20.33 H new ATOM 0 HD21 ASN A 23 -6.510 15.232 -1.620 1.00 43.45 H new ATOM 0 HD22 ASN A 23 -7.446 16.708 -1.879 1.00 43.45 H new ATOM 352 N LEU A 24 -9.611 12.019 -0.227 1.00 4.14 N ATOM 353 CA LEU A 24 -10.513 11.305 -1.110 1.00 50.13 C ATOM 354 C LEU A 24 -11.126 10.147 -0.342 1.00 32.21 C ATOM 355 O LEU A 24 -10.474 9.123 -0.127 1.00 53.30 O ATOM 356 CB LEU A 24 -9.785 10.784 -2.360 1.00 32.52 C ATOM 357 CG LEU A 24 -9.225 11.856 -3.308 1.00 25.40 C ATOM 358 CD1 LEU A 24 -7.906 12.415 -2.795 1.00 72.41 C ATOM 359 CD2 LEU A 24 -9.052 11.290 -4.708 1.00 22.53 C ATOM 0 H LEU A 24 -8.803 11.474 0.073 1.00 4.14 H new ATOM 0 HA LEU A 24 -11.291 11.989 -1.449 1.00 50.13 H new ATOM 0 HB2 LEU A 24 -8.962 10.146 -2.038 1.00 32.52 H new ATOM 0 HB3 LEU A 24 -10.475 10.154 -2.922 1.00 32.52 H new ATOM 0 HG LEU A 24 -9.943 12.675 -3.346 1.00 25.40 H new ATOM 0 HD11 LEU A 24 -7.537 13.171 -3.488 1.00 72.41 H new ATOM 0 HD12 LEU A 24 -8.059 12.866 -1.814 1.00 72.41 H new ATOM 0 HD13 LEU A 24 -7.176 11.609 -2.714 1.00 72.41 H new ATOM 0 HD21 LEU A 24 -8.655 12.063 -5.366 1.00 22.53 H new ATOM 0 HD22 LEU A 24 -8.360 10.448 -4.677 1.00 22.53 H new ATOM 0 HD23 LEU A 24 -10.017 10.953 -5.086 1.00 22.53 H new ATOM 371 N LYS A 25 -12.370 10.335 0.089 1.00 54.33 N ATOM 372 CA LYS A 25 -13.060 9.375 0.951 1.00 24.21 C ATOM 373 C LYS A 25 -13.098 7.975 0.339 1.00 65.50 C ATOM 374 O LYS A 25 -13.082 6.976 1.056 1.00 51.12 O ATOM 375 CB LYS A 25 -14.476 9.873 1.260 1.00 72.15 C ATOM 376 CG LYS A 25 -15.274 10.272 0.026 1.00 1.00 C ATOM 377 CD LYS A 25 -16.587 10.938 0.405 1.00 70.25 C ATOM 378 CE LYS A 25 -17.323 11.457 -0.820 1.00 41.44 C ATOM 379 NZ LYS A 25 -18.531 12.237 -0.448 1.00 64.20 N ATOM 0 H LYS A 25 -12.929 11.155 -0.148 1.00 54.33 H new ATOM 0 HA LYS A 25 -12.497 9.298 1.881 1.00 24.21 H new ATOM 0 HB2 LYS A 25 -15.017 9.091 1.793 1.00 72.15 H new ATOM 0 HB3 LYS A 25 -14.411 10.730 1.931 1.00 72.15 H new ATOM 0 HG2 LYS A 25 -14.683 10.953 -0.587 1.00 1.00 H new ATOM 0 HG3 LYS A 25 -15.474 9.389 -0.581 1.00 1.00 H new ATOM 0 HD2 LYS A 25 -17.218 10.225 0.935 1.00 70.25 H new ATOM 0 HD3 LYS A 25 -16.393 11.763 1.091 1.00 70.25 H new ATOM 0 HE2 LYS A 25 -16.653 12.084 -1.408 1.00 41.44 H new ATOM 0 HE3 LYS A 25 -17.613 10.618 -1.453 1.00 41.44 H new ATOM 0 HZ1 LYS A 25 -19.006 12.574 -1.310 1.00 64.20 H new ATOM 0 HZ2 LYS A 25 -19.182 11.632 0.092 1.00 64.20 H new ATOM 0 HZ3 LYS A 25 -18.252 13.052 0.135 1.00 64.20 H new ATOM 393 N SER A 26 -13.153 7.905 -0.982 1.00 50.24 N ATOM 394 CA SER A 26 -13.079 6.633 -1.673 1.00 1.45 C ATOM 395 C SER A 26 -12.216 6.788 -2.917 1.00 34.14 C ATOM 396 O SER A 26 -12.663 7.313 -3.938 1.00 12.31 O ATOM 397 CB SER A 26 -14.477 6.127 -2.039 1.00 54.30 C ATOM 398 OG SER A 26 -14.434 4.783 -2.499 1.00 75.40 O ATOM 0 H SER A 26 -13.249 8.715 -1.594 1.00 50.24 H new ATOM 0 HA SER A 26 -12.626 5.893 -1.012 1.00 1.45 H new ATOM 0 HB2 SER A 26 -15.130 6.196 -1.169 1.00 54.30 H new ATOM 0 HB3 SER A 26 -14.907 6.765 -2.812 1.00 54.30 H new ATOM 0 HG SER A 26 -15.340 4.485 -2.724 1.00 75.40 H new ATOM 404 N PHE A 27 -10.965 6.365 -2.810 1.00 41.03 N ATOM 405 CA PHE A 27 -10.022 6.497 -3.905 1.00 43.14 C ATOM 406 C PHE A 27 -9.904 5.179 -4.657 1.00 11.53 C ATOM 407 O PHE A 27 -9.593 4.142 -4.068 1.00 72.22 O ATOM 408 CB PHE A 27 -8.657 6.945 -3.373 1.00 32.45 C ATOM 409 CG PHE A 27 -7.629 7.187 -4.442 1.00 74.20 C ATOM 410 CD1 PHE A 27 -7.922 7.975 -5.543 1.00 23.23 C ATOM 411 CD2 PHE A 27 -6.365 6.629 -4.340 1.00 44.24 C ATOM 412 CE1 PHE A 27 -6.974 8.207 -6.519 1.00 73.44 C ATOM 413 CE2 PHE A 27 -5.412 6.856 -5.312 1.00 14.11 C ATOM 414 CZ PHE A 27 -5.717 7.645 -6.405 1.00 14.32 C ATOM 0 H PHE A 27 -10.581 5.927 -1.973 1.00 41.03 H new ATOM 0 HA PHE A 27 -10.386 7.255 -4.599 1.00 43.14 H new ATOM 0 HB2 PHE A 27 -8.787 7.860 -2.796 1.00 32.45 H new ATOM 0 HB3 PHE A 27 -8.280 6.186 -2.687 1.00 32.45 H new ATOM 0 HD1 PHE A 27 -8.904 8.413 -5.639 1.00 23.23 H new ATOM 0 HD2 PHE A 27 -6.123 6.009 -3.490 1.00 44.24 H new ATOM 0 HE1 PHE A 27 -7.214 8.827 -7.370 1.00 73.44 H new ATOM 0 HE2 PHE A 27 -4.429 6.418 -5.219 1.00 14.11 H new ATOM 0 HZ PHE A 27 -4.974 7.822 -7.169 1.00 14.32 H new ATOM 424 N SER A 28 -10.173 5.224 -5.952 1.00 51.32 N ATOM 425 CA SER A 28 -10.143 4.032 -6.782 1.00 43.20 C ATOM 426 C SER A 28 -8.710 3.683 -7.183 1.00 63.51 C ATOM 427 O SER A 28 -8.190 4.190 -8.182 1.00 5.34 O ATOM 428 CB SER A 28 -11.012 4.248 -8.019 1.00 24.44 C ATOM 429 OG SER A 28 -10.615 5.421 -8.713 1.00 44.14 O ATOM 0 H SER A 28 -10.416 6.079 -6.453 1.00 51.32 H new ATOM 0 HA SER A 28 -10.540 3.194 -6.210 1.00 43.20 H new ATOM 0 HB2 SER A 28 -10.934 3.385 -8.680 1.00 24.44 H new ATOM 0 HB3 SER A 28 -12.058 4.330 -7.725 1.00 24.44 H new ATOM 0 HG SER A 28 -9.642 5.417 -8.832 1.00 44.14 H new ATOM 435 N ALA A 29 -8.068 2.845 -6.383 1.00 73.23 N ATOM 436 CA ALA A 29 -6.709 2.409 -6.658 1.00 24.21 C ATOM 437 C ALA A 29 -6.352 1.182 -5.831 1.00 53.33 C ATOM 438 O ALA A 29 -6.209 1.265 -4.608 1.00 63.42 O ATOM 439 CB ALA A 29 -5.717 3.525 -6.377 1.00 23.35 C ATOM 0 H ALA A 29 -8.471 2.451 -5.532 1.00 73.23 H new ATOM 0 HA ALA A 29 -6.654 2.146 -7.714 1.00 24.21 H new ATOM 0 HB1 ALA A 29 -4.707 3.176 -6.590 1.00 23.35 H new ATOM 0 HB2 ALA A 29 -5.945 4.383 -7.010 1.00 23.35 H new ATOM 0 HB3 ALA A 29 -5.786 3.818 -5.329 1.00 23.35 H new ATOM 445 N ASP A 30 -6.230 0.046 -6.494 1.00 5.22 N ATOM 446 CA ASP A 30 -5.761 -1.166 -5.841 1.00 71.44 C ATOM 447 C ASP A 30 -4.373 -1.509 -6.349 1.00 10.21 C ATOM 448 O ASP A 30 -4.212 -2.018 -7.460 1.00 12.23 O ATOM 449 CB ASP A 30 -6.717 -2.335 -6.089 1.00 43.33 C ATOM 450 CG ASP A 30 -6.251 -3.600 -5.397 1.00 32.50 C ATOM 451 OD1 ASP A 30 -6.221 -3.616 -4.152 1.00 0.01 O ATOM 452 OD2 ASP A 30 -5.911 -4.578 -6.098 1.00 33.31 O ATOM 0 H ASP A 30 -6.449 -0.064 -7.484 1.00 5.22 H new ATOM 0 HA ASP A 30 -5.724 -0.988 -4.766 1.00 71.44 H new ATOM 0 HB2 ASP A 30 -7.713 -2.072 -5.733 1.00 43.33 H new ATOM 0 HB3 ASP A 30 -6.799 -2.516 -7.161 1.00 43.33 H new ATOM 457 N ALA A 31 -3.367 -1.203 -5.551 1.00 33.30 N ATOM 458 CA ALA A 31 -1.992 -1.405 -5.960 1.00 45.13 C ATOM 459 C ALA A 31 -1.530 -2.812 -5.610 1.00 1.43 C ATOM 460 O ALA A 31 -1.055 -3.064 -4.504 1.00 71.10 O ATOM 461 CB ALA A 31 -1.088 -0.364 -5.320 1.00 13.12 C ATOM 0 H ALA A 31 -3.478 -0.813 -4.615 1.00 33.30 H new ATOM 0 HA ALA A 31 -1.933 -1.289 -7.042 1.00 45.13 H new ATOM 0 HB1 ALA A 31 -0.059 -0.531 -5.638 1.00 13.12 H new ATOM 0 HB2 ALA A 31 -1.406 0.632 -5.627 1.00 13.12 H new ATOM 0 HB3 ALA A 31 -1.150 -0.446 -4.235 1.00 13.12 H new ATOM 467 N ARG A 32 -1.701 -3.737 -6.541 1.00 45.52 N ATOM 468 CA ARG A 32 -1.279 -5.104 -6.312 1.00 5.25 C ATOM 469 C ARG A 32 0.134 -5.317 -6.848 1.00 22.51 C ATOM 470 O ARG A 32 0.370 -5.312 -8.056 1.00 24.53 O ATOM 471 CB ARG A 32 -2.286 -6.107 -6.902 1.00 71.11 C ATOM 472 CG ARG A 32 -2.380 -6.129 -8.422 1.00 14.13 C ATOM 473 CD ARG A 32 -3.499 -7.053 -8.877 1.00 4.30 C ATOM 474 NE ARG A 32 -3.338 -7.492 -10.263 1.00 54.23 N ATOM 475 CZ ARG A 32 -4.239 -7.287 -11.222 1.00 30.21 C ATOM 476 NH1 ARG A 32 -5.318 -6.553 -10.981 1.00 14.44 N ATOM 477 NH2 ARG A 32 -4.055 -7.802 -12.429 1.00 53.05 N ATOM 0 H ARG A 32 -2.125 -3.566 -7.453 1.00 45.52 H new ATOM 0 HA ARG A 32 -1.255 -5.287 -5.238 1.00 5.25 H new ATOM 0 HB2 ARG A 32 -2.020 -7.106 -6.558 1.00 71.11 H new ATOM 0 HB3 ARG A 32 -3.273 -5.883 -6.498 1.00 71.11 H new ATOM 0 HG2 ARG A 32 -2.560 -5.121 -8.795 1.00 14.13 H new ATOM 0 HG3 ARG A 32 -1.432 -6.461 -8.845 1.00 14.13 H new ATOM 0 HD2 ARG A 32 -3.532 -7.926 -8.225 1.00 4.30 H new ATOM 0 HD3 ARG A 32 -4.455 -6.540 -8.771 1.00 4.30 H new ATOM 0 HE ARG A 32 -2.481 -7.987 -10.511 1.00 54.23 H new ATOM 0 HH11 ARG A 32 -5.460 -6.143 -10.058 1.00 14.44 H new ATOM 0 HH12 ARG A 32 -6.005 -6.399 -11.719 1.00 14.44 H new ATOM 0 HH21 ARG A 32 -3.222 -8.357 -12.625 1.00 53.05 H new ATOM 0 HH22 ARG A 32 -4.747 -7.644 -13.162 1.00 53.05 H new ATOM 491 N PHE A 33 1.078 -5.467 -5.932 1.00 42.43 N ATOM 492 CA PHE A 33 2.484 -5.591 -6.293 1.00 75.41 C ATOM 493 C PHE A 33 2.966 -7.030 -6.171 1.00 24.41 C ATOM 494 O PHE A 33 2.214 -7.922 -5.766 1.00 40.35 O ATOM 495 CB PHE A 33 3.350 -4.687 -5.409 1.00 62.22 C ATOM 496 CG PHE A 33 3.144 -3.219 -5.648 1.00 44.31 C ATOM 497 CD1 PHE A 33 3.612 -2.621 -6.806 1.00 72.55 C ATOM 498 CD2 PHE A 33 2.494 -2.437 -4.708 1.00 2.45 C ATOM 499 CE1 PHE A 33 3.435 -1.267 -7.024 1.00 65.51 C ATOM 500 CE2 PHE A 33 2.314 -1.083 -4.919 1.00 41.03 C ATOM 501 CZ PHE A 33 2.784 -0.497 -6.079 1.00 24.35 C ATOM 0 H PHE A 33 0.896 -5.506 -4.929 1.00 42.43 H new ATOM 0 HA PHE A 33 2.580 -5.280 -7.333 1.00 75.41 H new ATOM 0 HB2 PHE A 33 3.137 -4.908 -4.363 1.00 62.22 H new ATOM 0 HB3 PHE A 33 4.399 -4.928 -5.578 1.00 62.22 H new ATOM 0 HD1 PHE A 33 4.121 -3.219 -7.547 1.00 72.55 H new ATOM 0 HD2 PHE A 33 2.124 -2.890 -3.800 1.00 2.45 H new ATOM 0 HE1 PHE A 33 3.805 -0.812 -7.931 1.00 65.51 H new ATOM 0 HE2 PHE A 33 1.806 -0.483 -4.178 1.00 41.03 H new ATOM 0 HZ PHE A 33 2.643 0.561 -6.247 1.00 24.35 H new ATOM 511 N SER A 34 4.228 -7.236 -6.519 1.00 53.01 N ATOM 512 CA SER A 34 4.852 -8.546 -6.452 1.00 45.41 C ATOM 513 C SER A 34 5.343 -8.843 -5.036 1.00 61.02 C ATOM 514 O SER A 34 5.767 -7.933 -4.317 1.00 35.33 O ATOM 515 CB SER A 34 6.022 -8.598 -7.437 1.00 42.25 C ATOM 516 OG SER A 34 6.880 -7.483 -7.259 1.00 44.51 O ATOM 0 H SER A 34 4.847 -6.498 -6.856 1.00 53.01 H new ATOM 0 HA SER A 34 4.114 -9.303 -6.718 1.00 45.41 H new ATOM 0 HB2 SER A 34 6.583 -9.521 -7.293 1.00 42.25 H new ATOM 0 HB3 SER A 34 5.643 -8.611 -8.459 1.00 42.25 H new ATOM 0 HG SER A 34 7.622 -7.536 -7.897 1.00 44.51 H new ATOM 522 N PRO A 35 5.279 -10.117 -4.620 1.00 13.15 N ATOM 523 CA PRO A 35 5.724 -10.552 -3.292 1.00 14.43 C ATOM 524 C PRO A 35 7.191 -10.218 -3.010 1.00 34.32 C ATOM 525 O PRO A 35 8.014 -10.143 -3.923 1.00 31.25 O ATOM 526 CB PRO A 35 5.524 -12.068 -3.323 1.00 2.32 C ATOM 527 CG PRO A 35 4.497 -12.293 -4.375 1.00 34.33 C ATOM 528 CD PRO A 35 4.740 -11.236 -5.411 1.00 12.03 C ATOM 0 HA PRO A 35 5.167 -10.046 -2.504 1.00 14.43 H new ATOM 0 HB2 PRO A 35 6.454 -12.585 -3.560 1.00 2.32 H new ATOM 0 HB3 PRO A 35 5.189 -12.443 -2.356 1.00 2.32 H new ATOM 0 HG2 PRO A 35 4.588 -13.291 -4.804 1.00 34.33 H new ATOM 0 HG3 PRO A 35 3.491 -12.214 -3.963 1.00 34.33 H new ATOM 0 HD2 PRO A 35 5.446 -11.570 -6.171 1.00 12.03 H new ATOM 0 HD3 PRO A 35 3.822 -10.959 -5.929 1.00 12.03 H new ATOM 536 N GLN A 36 7.488 -10.002 -1.729 1.00 51.33 N ATOM 537 CA GLN A 36 8.844 -9.725 -1.248 1.00 74.25 C ATOM 538 C GLN A 36 9.409 -8.405 -1.766 1.00 34.00 C ATOM 539 O GLN A 36 10.626 -8.204 -1.761 1.00 35.14 O ATOM 540 CB GLN A 36 9.795 -10.878 -1.573 1.00 14.33 C ATOM 541 CG GLN A 36 9.704 -12.021 -0.577 1.00 4.24 C ATOM 542 CD GLN A 36 10.718 -13.111 -0.844 1.00 24.22 C ATOM 543 OE1 GLN A 36 11.845 -13.058 -0.354 1.00 71.21 O ATOM 544 NE2 GLN A 36 10.320 -14.113 -1.604 1.00 73.54 N ATOM 0 H GLN A 36 6.788 -10.014 -0.987 1.00 51.33 H new ATOM 0 HA GLN A 36 8.762 -9.629 -0.165 1.00 74.25 H new ATOM 0 HB2 GLN A 36 9.573 -11.255 -2.571 1.00 14.33 H new ATOM 0 HB3 GLN A 36 10.818 -10.503 -1.595 1.00 14.33 H new ATOM 0 HG2 GLN A 36 9.852 -11.632 0.430 1.00 4.24 H new ATOM 0 HG3 GLN A 36 8.701 -12.447 -0.610 1.00 4.24 H new ATOM 0 HE21 GLN A 36 9.376 -14.117 -1.990 1.00 73.54 H new ATOM 0 HE22 GLN A 36 10.956 -14.884 -1.806 1.00 73.54 H new ATOM 553 N MET A 37 8.537 -7.497 -2.175 1.00 21.15 N ATOM 554 CA MET A 37 8.964 -6.153 -2.535 1.00 44.15 C ATOM 555 C MET A 37 9.427 -5.408 -1.281 1.00 3.11 C ATOM 556 O MET A 37 8.861 -5.592 -0.199 1.00 54.14 O ATOM 557 CB MET A 37 7.821 -5.393 -3.221 1.00 44.33 C ATOM 558 CG MET A 37 8.175 -3.964 -3.600 1.00 12.10 C ATOM 559 SD MET A 37 6.847 -3.119 -4.483 1.00 70.55 S ATOM 560 CE MET A 37 7.559 -1.487 -4.673 1.00 25.14 C ATOM 0 H MET A 37 7.535 -7.664 -2.266 1.00 21.15 H new ATOM 0 HA MET A 37 9.796 -6.219 -3.236 1.00 44.15 H new ATOM 0 HB2 MET A 37 7.525 -5.935 -4.119 1.00 44.33 H new ATOM 0 HB3 MET A 37 6.956 -5.379 -2.557 1.00 44.33 H new ATOM 0 HG2 MET A 37 8.417 -3.404 -2.697 1.00 12.10 H new ATOM 0 HG3 MET A 37 9.071 -3.970 -4.221 1.00 12.10 H new ATOM 0 HE1 MET A 37 6.766 -0.764 -4.866 1.00 25.14 H new ATOM 0 HE2 MET A 37 8.086 -1.211 -3.760 1.00 25.14 H new ATOM 0 HE3 MET A 37 8.259 -1.490 -5.509 1.00 25.14 H new ATOM 570 N SER A 38 10.471 -4.603 -1.422 1.00 44.01 N ATOM 571 CA SER A 38 10.993 -3.830 -0.307 1.00 1.21 C ATOM 572 C SER A 38 10.095 -2.626 -0.048 1.00 64.30 C ATOM 573 O SER A 38 9.861 -1.807 -0.943 1.00 50.15 O ATOM 574 CB SER A 38 12.429 -3.376 -0.598 1.00 32.44 C ATOM 575 OG SER A 38 13.010 -2.738 0.529 1.00 73.31 O ATOM 0 H SER A 38 10.973 -4.469 -2.300 1.00 44.01 H new ATOM 0 HA SER A 38 11.007 -4.458 0.584 1.00 1.21 H new ATOM 0 HB2 SER A 38 13.034 -4.237 -0.882 1.00 32.44 H new ATOM 0 HB3 SER A 38 12.431 -2.692 -1.446 1.00 32.44 H new ATOM 0 HG SER A 38 13.925 -2.462 0.313 1.00 73.31 H new ATOM 581 N VAL A 39 9.591 -2.523 1.175 1.00 1.35 N ATOM 582 CA VAL A 39 8.668 -1.455 1.527 1.00 72.34 C ATOM 583 C VAL A 39 9.401 -0.119 1.585 1.00 34.41 C ATOM 584 O VAL A 39 8.823 0.932 1.316 1.00 60.10 O ATOM 585 CB VAL A 39 7.973 -1.723 2.875 1.00 50.21 C ATOM 586 CG1 VAL A 39 6.796 -0.780 3.062 1.00 2.11 C ATOM 587 CG2 VAL A 39 7.520 -3.172 2.962 1.00 34.12 C ATOM 0 H VAL A 39 9.806 -3.165 1.938 1.00 1.35 H new ATOM 0 HA VAL A 39 7.902 -1.418 0.752 1.00 72.34 H new ATOM 0 HB VAL A 39 8.689 -1.540 3.676 1.00 50.21 H new ATOM 0 HG11 VAL A 39 6.316 -0.983 4.019 1.00 2.11 H new ATOM 0 HG12 VAL A 39 7.149 0.251 3.044 1.00 2.11 H new ATOM 0 HG13 VAL A 39 6.077 -0.931 2.257 1.00 2.11 H new ATOM 0 HG21 VAL A 39 7.031 -3.343 3.921 1.00 34.12 H new ATOM 0 HG22 VAL A 39 6.819 -3.383 2.154 1.00 34.12 H new ATOM 0 HG23 VAL A 39 8.385 -3.830 2.873 1.00 34.12 H new ATOM 597 N GLU A 40 10.687 -0.170 1.908 1.00 32.10 N ATOM 598 CA GLU A 40 11.512 1.032 1.945 1.00 71.33 C ATOM 599 C GLU A 40 11.588 1.662 0.554 1.00 1.34 C ATOM 600 O GLU A 40 11.594 2.885 0.415 1.00 12.30 O ATOM 601 CB GLU A 40 12.913 0.691 2.449 1.00 14.51 C ATOM 602 CG GLU A 40 13.832 1.895 2.593 1.00 54.31 C ATOM 603 CD GLU A 40 15.190 1.524 3.150 1.00 61.14 C ATOM 604 OE1 GLU A 40 15.991 0.904 2.420 1.00 0.33 O ATOM 605 OE2 GLU A 40 15.469 1.866 4.319 1.00 4.31 O ATOM 0 H GLU A 40 11.181 -1.029 2.148 1.00 32.10 H new ATOM 0 HA GLU A 40 11.059 1.750 2.629 1.00 71.33 H new ATOM 0 HB2 GLU A 40 12.829 0.194 3.416 1.00 14.51 H new ATOM 0 HB3 GLU A 40 13.371 -0.022 1.763 1.00 14.51 H new ATOM 0 HG2 GLU A 40 13.959 2.369 1.620 1.00 54.31 H new ATOM 0 HG3 GLU A 40 13.363 2.630 3.247 1.00 54.31 H new ATOM 612 N ALA A 41 11.604 0.813 -0.470 1.00 53.43 N ATOM 613 CA ALA A 41 11.713 1.271 -1.850 1.00 20.42 C ATOM 614 C ALA A 41 10.487 2.077 -2.273 1.00 13.22 C ATOM 615 O ALA A 41 10.610 3.073 -2.990 1.00 33.22 O ATOM 616 CB ALA A 41 11.920 0.088 -2.782 1.00 10.30 C ATOM 0 H ALA A 41 11.543 -0.200 -0.368 1.00 53.43 H new ATOM 0 HA ALA A 41 12.579 1.930 -1.916 1.00 20.42 H new ATOM 0 HB1 ALA A 41 12.000 0.444 -3.809 1.00 10.30 H new ATOM 0 HB2 ALA A 41 12.836 -0.436 -2.507 1.00 10.30 H new ATOM 0 HB3 ALA A 41 11.073 -0.593 -2.699 1.00 10.30 H new ATOM 622 N VAL A 42 9.307 1.662 -1.825 1.00 62.14 N ATOM 623 CA VAL A 42 8.086 2.374 -2.178 1.00 13.53 C ATOM 624 C VAL A 42 7.929 3.625 -1.310 1.00 73.04 C ATOM 625 O VAL A 42 7.387 4.636 -1.757 1.00 44.24 O ATOM 626 CB VAL A 42 6.826 1.476 -2.081 1.00 45.25 C ATOM 627 CG1 VAL A 42 6.525 1.073 -0.646 1.00 55.12 C ATOM 628 CG2 VAL A 42 5.628 2.171 -2.709 1.00 13.13 C ATOM 0 H VAL A 42 9.171 0.848 -1.225 1.00 62.14 H new ATOM 0 HA VAL A 42 8.178 2.674 -3.222 1.00 13.53 H new ATOM 0 HB VAL A 42 7.031 0.561 -2.637 1.00 45.25 H new ATOM 0 HG11 VAL A 42 5.635 0.445 -0.624 1.00 55.12 H new ATOM 0 HG12 VAL A 42 7.371 0.519 -0.239 1.00 55.12 H new ATOM 0 HG13 VAL A 42 6.354 1.966 -0.045 1.00 55.12 H new ATOM 0 HG21 VAL A 42 4.752 1.527 -2.632 1.00 13.13 H new ATOM 0 HG22 VAL A 42 5.436 3.108 -2.187 1.00 13.13 H new ATOM 0 HG23 VAL A 42 5.836 2.377 -3.759 1.00 13.13 H new ATOM 638 N LYS A 43 8.438 3.570 -0.079 1.00 71.23 N ATOM 639 CA LYS A 43 8.427 4.738 0.796 1.00 74.32 C ATOM 640 C LYS A 43 9.332 5.824 0.233 1.00 11.31 C ATOM 641 O LYS A 43 9.023 7.011 0.325 1.00 42.21 O ATOM 642 CB LYS A 43 8.876 4.378 2.212 1.00 24.32 C ATOM 643 CG LYS A 43 7.925 3.447 2.941 1.00 0.42 C ATOM 644 CD LYS A 43 8.400 3.179 4.359 1.00 22.13 C ATOM 645 CE LYS A 43 7.543 2.137 5.054 1.00 5.42 C ATOM 646 NZ LYS A 43 8.028 1.843 6.426 1.00 34.25 N ATOM 0 H LYS A 43 8.859 2.736 0.330 1.00 71.23 H new ATOM 0 HA LYS A 43 7.402 5.106 0.845 1.00 74.32 H new ATOM 0 HB2 LYS A 43 9.860 3.911 2.163 1.00 24.32 H new ATOM 0 HB3 LYS A 43 8.987 5.295 2.791 1.00 24.32 H new ATOM 0 HG2 LYS A 43 6.928 3.887 2.965 1.00 0.42 H new ATOM 0 HG3 LYS A 43 7.845 2.506 2.397 1.00 0.42 H new ATOM 0 HD2 LYS A 43 9.436 2.841 4.337 1.00 22.13 H new ATOM 0 HD3 LYS A 43 8.379 4.107 4.931 1.00 22.13 H new ATOM 0 HE2 LYS A 43 6.512 2.488 5.101 1.00 5.42 H new ATOM 0 HE3 LYS A 43 7.540 1.219 4.466 1.00 5.42 H new ATOM 0 HZ1 LYS A 43 8.083 0.813 6.562 1.00 34.25 H new ATOM 0 HZ2 LYS A 43 8.972 2.260 6.557 1.00 34.25 H new ATOM 0 HZ3 LYS A 43 7.370 2.249 7.121 1.00 34.25 H new ATOM 660 N GLU A 44 10.451 5.408 -0.351 1.00 51.02 N ATOM 661 CA GLU A 44 11.359 6.333 -1.017 1.00 14.32 C ATOM 662 C GLU A 44 10.645 7.030 -2.169 1.00 45.20 C ATOM 663 O GLU A 44 10.852 8.216 -2.421 1.00 64.40 O ATOM 664 CB GLU A 44 12.583 5.593 -1.555 1.00 73.20 C ATOM 665 CG GLU A 44 13.610 6.511 -2.204 1.00 50.15 C ATOM 666 CD GLU A 44 14.487 5.795 -3.211 1.00 42.25 C ATOM 667 OE1 GLU A 44 14.392 4.557 -3.317 1.00 42.42 O ATOM 668 OE2 GLU A 44 15.260 6.473 -3.919 1.00 50.12 O ATOM 0 H GLU A 44 10.751 4.433 -0.376 1.00 51.02 H new ATOM 0 HA GLU A 44 11.685 7.075 -0.287 1.00 14.32 H new ATOM 0 HB2 GLU A 44 13.058 5.050 -0.738 1.00 73.20 H new ATOM 0 HB3 GLU A 44 12.258 4.851 -2.284 1.00 73.20 H new ATOM 0 HG2 GLU A 44 13.093 7.333 -2.699 1.00 50.15 H new ATOM 0 HG3 GLU A 44 14.239 6.950 -1.429 1.00 50.15 H new ATOM 675 N LYS A 45 9.792 6.285 -2.857 1.00 61.43 N ATOM 676 CA LYS A 45 9.065 6.820 -3.993 1.00 15.13 C ATOM 677 C LYS A 45 8.010 7.811 -3.515 1.00 61.12 C ATOM 678 O LYS A 45 7.749 8.815 -4.176 1.00 72.44 O ATOM 679 CB LYS A 45 8.424 5.690 -4.794 1.00 75.33 C ATOM 680 CG LYS A 45 8.203 6.041 -6.254 1.00 72.04 C ATOM 681 CD LYS A 45 7.733 4.836 -7.051 1.00 53.12 C ATOM 682 CE LYS A 45 7.867 5.077 -8.545 1.00 2.24 C ATOM 683 NZ LYS A 45 7.440 3.894 -9.340 1.00 53.34 N ATOM 0 H LYS A 45 9.588 5.308 -2.646 1.00 61.43 H new ATOM 0 HA LYS A 45 9.763 7.344 -4.646 1.00 15.13 H new ATOM 0 HB2 LYS A 45 9.057 4.805 -4.732 1.00 75.33 H new ATOM 0 HB3 LYS A 45 7.467 5.430 -4.341 1.00 75.33 H new ATOM 0 HG2 LYS A 45 7.465 6.839 -6.330 1.00 72.04 H new ATOM 0 HG3 LYS A 45 9.130 6.423 -6.682 1.00 72.04 H new ATOM 0 HD2 LYS A 45 8.316 3.960 -6.768 1.00 53.12 H new ATOM 0 HD3 LYS A 45 6.693 4.619 -6.807 1.00 53.12 H new ATOM 0 HE2 LYS A 45 7.266 5.941 -8.828 1.00 2.24 H new ATOM 0 HE3 LYS A 45 8.903 5.318 -8.782 1.00 2.24 H new ATOM 0 HZ1 LYS A 45 7.547 4.100 -10.354 1.00 53.34 H new ATOM 0 HZ2 LYS A 45 8.030 3.075 -9.089 1.00 53.34 H new ATOM 0 HZ3 LYS A 45 6.444 3.678 -9.134 1.00 53.34 H new ATOM 697 N LEU A 46 7.420 7.527 -2.358 1.00 43.51 N ATOM 698 CA LEU A 46 6.486 8.452 -1.723 1.00 62.13 C ATOM 699 C LEU A 46 7.212 9.724 -1.302 1.00 42.23 C ATOM 700 O LEU A 46 6.687 10.827 -1.433 1.00 1.32 O ATOM 701 CB LEU A 46 5.829 7.802 -0.501 1.00 10.31 C ATOM 702 CG LEU A 46 5.000 6.552 -0.793 1.00 72.13 C ATOM 703 CD1 LEU A 46 4.461 5.958 0.498 1.00 61.50 C ATOM 704 CD2 LEU A 46 3.858 6.875 -1.746 1.00 62.11 C ATOM 0 H LEU A 46 7.572 6.662 -1.840 1.00 43.51 H new ATOM 0 HA LEU A 46 5.709 8.704 -2.445 1.00 62.13 H new ATOM 0 HB2 LEU A 46 6.609 7.542 0.215 1.00 10.31 H new ATOM 0 HB3 LEU A 46 5.187 8.539 -0.019 1.00 10.31 H new ATOM 0 HG LEU A 46 5.647 5.816 -1.270 1.00 72.13 H new ATOM 0 HD11 LEU A 46 3.873 5.069 0.272 1.00 61.50 H new ATOM 0 HD12 LEU A 46 5.292 5.687 1.149 1.00 61.50 H new ATOM 0 HD13 LEU A 46 3.831 6.691 1.001 1.00 61.50 H new ATOM 0 HD21 LEU A 46 3.280 5.972 -1.941 1.00 62.11 H new ATOM 0 HD22 LEU A 46 3.212 7.629 -1.297 1.00 62.11 H new ATOM 0 HD23 LEU A 46 4.263 7.256 -2.684 1.00 62.11 H new ATOM 716 N TRP A 47 8.429 9.554 -0.803 1.00 21.04 N ATOM 717 CA TRP A 47 9.286 10.676 -0.436 1.00 13.13 C ATOM 718 C TRP A 47 9.605 11.528 -1.666 1.00 61.41 C ATOM 719 O TRP A 47 9.673 12.756 -1.592 1.00 71.21 O ATOM 720 CB TRP A 47 10.573 10.143 0.211 1.00 24.41 C ATOM 721 CG TRP A 47 11.619 11.185 0.465 1.00 65.21 C ATOM 722 CD1 TRP A 47 11.627 12.122 1.457 1.00 24.02 C ATOM 723 CD2 TRP A 47 12.820 11.386 -0.286 1.00 3.33 C ATOM 724 NE1 TRP A 47 12.758 12.895 1.364 1.00 4.34 N ATOM 725 CE2 TRP A 47 13.505 12.463 0.304 1.00 50.44 C ATOM 726 CE3 TRP A 47 13.383 10.758 -1.399 1.00 70.41 C ATOM 727 CZ2 TRP A 47 14.723 12.927 -0.183 1.00 24.44 C ATOM 728 CZ3 TRP A 47 14.594 11.220 -1.883 1.00 73.43 C ATOM 729 CH2 TRP A 47 15.252 12.294 -1.274 1.00 63.44 C ATOM 0 H TRP A 47 8.850 8.639 -0.641 1.00 21.04 H new ATOM 0 HA TRP A 47 8.766 11.310 0.283 1.00 13.13 H new ATOM 0 HB2 TRP A 47 10.318 9.665 1.157 1.00 24.41 H new ATOM 0 HB3 TRP A 47 10.996 9.372 -0.433 1.00 24.41 H new ATOM 0 HD1 TRP A 47 10.857 12.238 2.205 1.00 24.02 H new ATOM 0 HE1 TRP A 47 13.001 13.667 1.985 1.00 4.34 H new ATOM 0 HE3 TRP A 47 12.882 9.927 -1.873 1.00 70.41 H new ATOM 0 HZ2 TRP A 47 15.232 13.757 0.284 1.00 24.44 H new ATOM 0 HZ3 TRP A 47 15.038 10.744 -2.745 1.00 73.43 H new ATOM 0 HH2 TRP A 47 16.197 12.630 -1.674 1.00 63.44 H new ATOM 740 N LYS A 48 9.765 10.865 -2.808 1.00 11.33 N ATOM 741 CA LYS A 48 10.090 11.548 -4.057 1.00 74.34 C ATOM 742 C LYS A 48 8.851 12.172 -4.701 1.00 61.05 C ATOM 743 O LYS A 48 8.890 12.594 -5.856 1.00 3.43 O ATOM 744 CB LYS A 48 10.778 10.589 -5.033 1.00 72.14 C ATOM 745 CG LYS A 48 12.214 10.269 -4.647 1.00 24.32 C ATOM 746 CD LYS A 48 12.867 9.298 -5.619 1.00 42.05 C ATOM 747 CE LYS A 48 12.306 7.892 -5.483 1.00 14.04 C ATOM 748 NZ LYS A 48 12.970 6.937 -6.409 1.00 22.21 N ATOM 0 H LYS A 48 9.675 9.853 -2.894 1.00 11.33 H new ATOM 0 HA LYS A 48 10.779 12.358 -3.817 1.00 74.34 H new ATOM 0 HB2 LYS A 48 10.207 9.662 -5.084 1.00 72.14 H new ATOM 0 HB3 LYS A 48 10.766 11.026 -6.031 1.00 72.14 H new ATOM 0 HG2 LYS A 48 12.794 11.192 -4.613 1.00 24.32 H new ATOM 0 HG3 LYS A 48 12.233 9.844 -3.644 1.00 24.32 H new ATOM 0 HD2 LYS A 48 12.717 9.651 -6.639 1.00 42.05 H new ATOM 0 HD3 LYS A 48 13.943 9.278 -5.443 1.00 42.05 H new ATOM 0 HE2 LYS A 48 12.432 7.549 -4.456 1.00 14.04 H new ATOM 0 HE3 LYS A 48 11.235 7.908 -5.685 1.00 14.04 H new ATOM 0 HZ1 LYS A 48 12.559 5.990 -6.285 1.00 22.21 H new ATOM 0 HZ2 LYS A 48 12.828 7.250 -7.391 1.00 22.21 H new ATOM 0 HZ3 LYS A 48 13.988 6.902 -6.200 1.00 22.21 H new ATOM 762 N LYS A 49 7.755 12.228 -3.950 1.00 61.31 N ATOM 763 CA LYS A 49 6.566 12.956 -4.373 1.00 61.34 C ATOM 764 C LYS A 49 6.888 14.444 -4.480 1.00 63.00 C ATOM 765 O LYS A 49 6.530 15.104 -5.458 1.00 43.32 O ATOM 766 CB LYS A 49 5.422 12.713 -3.375 1.00 1.23 C ATOM 767 CG LYS A 49 4.282 13.721 -3.438 1.00 70.43 C ATOM 768 CD LYS A 49 3.550 13.691 -4.770 1.00 43.05 C ATOM 769 CE LYS A 49 2.367 14.648 -4.756 1.00 1.04 C ATOM 770 NZ LYS A 49 1.711 14.757 -6.085 1.00 63.21 N ATOM 0 H LYS A 49 7.667 11.775 -3.041 1.00 61.31 H new ATOM 0 HA LYS A 49 6.247 12.599 -5.352 1.00 61.34 H new ATOM 0 HB2 LYS A 49 5.015 11.717 -3.549 1.00 1.23 H new ATOM 0 HB3 LYS A 49 5.834 12.717 -2.366 1.00 1.23 H new ATOM 0 HG2 LYS A 49 3.575 13.516 -2.634 1.00 70.43 H new ATOM 0 HG3 LYS A 49 4.677 14.722 -3.267 1.00 70.43 H new ATOM 0 HD2 LYS A 49 4.235 13.963 -5.573 1.00 43.05 H new ATOM 0 HD3 LYS A 49 3.203 12.679 -4.977 1.00 43.05 H new ATOM 0 HE2 LYS A 49 1.638 14.309 -4.020 1.00 1.04 H new ATOM 0 HE3 LYS A 49 2.705 15.634 -4.439 1.00 1.04 H new ATOM 0 HZ1 LYS A 49 0.912 15.420 -6.024 1.00 63.21 H new ATOM 0 HZ2 LYS A 49 2.398 15.106 -6.784 1.00 63.21 H new ATOM 0 HZ3 LYS A 49 1.364 13.822 -6.378 1.00 63.21 H new ATOM 784 N CYS A 50 7.576 14.957 -3.471 1.00 61.54 N ATOM 785 CA CYS A 50 7.984 16.354 -3.460 1.00 72.54 C ATOM 786 C CYS A 50 9.406 16.508 -2.923 1.00 11.44 C ATOM 787 O CYS A 50 9.941 17.617 -2.859 1.00 32.33 O ATOM 788 CB CYS A 50 7.004 17.175 -2.618 1.00 21.10 C ATOM 789 SG CYS A 50 6.643 16.452 -0.997 1.00 41.15 S ATOM 0 H CYS A 50 7.864 14.427 -2.649 1.00 61.54 H new ATOM 0 HA CYS A 50 7.972 16.724 -4.485 1.00 72.54 H new ATOM 0 HB2 CYS A 50 7.412 18.175 -2.476 1.00 21.10 H new ATOM 0 HB3 CYS A 50 6.071 17.287 -3.171 1.00 21.10 H new ATOM 0 HG CYS A 50 5.808 17.216 -0.357 1.00 41.15 H new ATOM 795 N GLY A 51 10.024 15.390 -2.555 1.00 25.44 N ATOM 796 CA GLY A 51 11.356 15.431 -1.979 1.00 11.31 C ATOM 797 C GLY A 51 11.338 15.960 -0.561 1.00 44.14 C ATOM 798 O GLY A 51 12.220 16.714 -0.152 1.00 30.30 O ATOM 0 H GLY A 51 9.626 14.455 -2.646 1.00 25.44 H new ATOM 0 HA2 GLY A 51 11.787 14.430 -1.988 1.00 11.31 H new ATOM 0 HA3 GLY A 51 11.999 16.061 -2.594 1.00 11.31 H new ATOM 802 N THR A 52 10.320 15.569 0.186 1.00 34.01 N ATOM 803 CA THR A 52 10.126 16.056 1.537 1.00 51.40 C ATOM 804 C THR A 52 9.755 14.903 2.461 1.00 62.25 C ATOM 805 O THR A 52 9.081 13.962 2.040 1.00 33.20 O ATOM 806 CB THR A 52 9.023 17.139 1.560 1.00 1.54 C ATOM 807 OG1 THR A 52 9.348 18.166 0.611 1.00 21.53 O ATOM 808 CG2 THR A 52 8.870 17.759 2.942 1.00 43.35 C ATOM 0 H THR A 52 9.609 14.908 -0.127 1.00 34.01 H new ATOM 0 HA THR A 52 11.057 16.500 1.889 1.00 51.40 H new ATOM 0 HB THR A 52 8.078 16.664 1.299 1.00 1.54 H new ATOM 0 HG1 THR A 52 8.650 18.854 0.622 1.00 21.53 H new ATOM 0 HG21 THR A 52 8.085 18.515 2.917 1.00 43.35 H new ATOM 0 HG22 THR A 52 8.604 16.984 3.661 1.00 43.35 H new ATOM 0 HG23 THR A 52 9.811 18.222 3.239 1.00 43.35 H new ATOM 816 N SER A 53 10.222 14.965 3.704 1.00 22.32 N ATOM 817 CA SER A 53 9.972 13.911 4.674 1.00 33.21 C ATOM 818 C SER A 53 8.473 13.697 4.877 1.00 62.33 C ATOM 819 O SER A 53 7.677 14.636 4.766 1.00 72.10 O ATOM 820 CB SER A 53 10.634 14.273 6.005 1.00 50.11 C ATOM 821 OG SER A 53 12.004 14.599 5.821 1.00 20.10 O ATOM 0 H SER A 53 10.779 15.741 4.062 1.00 22.32 H new ATOM 0 HA SER A 53 10.398 12.982 4.294 1.00 33.21 H new ATOM 0 HB2 SER A 53 10.113 15.118 6.456 1.00 50.11 H new ATOM 0 HB3 SER A 53 10.546 13.437 6.698 1.00 50.11 H new ATOM 0 HG SER A 53 12.405 14.828 6.685 1.00 20.10 H new ATOM 827 N VAL A 54 8.092 12.461 5.170 1.00 71.31 N ATOM 828 CA VAL A 54 6.694 12.135 5.394 1.00 22.35 C ATOM 829 C VAL A 54 6.293 12.525 6.815 1.00 23.23 C ATOM 830 O VAL A 54 6.295 11.702 7.727 1.00 62.43 O ATOM 831 CB VAL A 54 6.412 10.634 5.157 1.00 72.33 C ATOM 832 CG1 VAL A 54 4.918 10.346 5.201 1.00 51.21 C ATOM 833 CG2 VAL A 54 7.003 10.182 3.830 1.00 53.21 C ATOM 0 H VAL A 54 8.731 11.671 5.258 1.00 71.31 H new ATOM 0 HA VAL A 54 6.099 12.701 4.677 1.00 22.35 H new ATOM 0 HB VAL A 54 6.889 10.071 5.959 1.00 72.33 H new ATOM 0 HG11 VAL A 54 4.747 9.283 5.031 1.00 51.21 H new ATOM 0 HG12 VAL A 54 4.522 10.626 6.177 1.00 51.21 H new ATOM 0 HG13 VAL A 54 4.413 10.923 4.426 1.00 51.21 H new ATOM 0 HG21 VAL A 54 6.794 9.123 3.681 1.00 53.21 H new ATOM 0 HG22 VAL A 54 6.558 10.757 3.018 1.00 53.21 H new ATOM 0 HG23 VAL A 54 8.081 10.342 3.839 1.00 53.21 H new ATOM 843 N ASN A 55 5.999 13.803 6.998 1.00 1.01 N ATOM 844 CA ASN A 55 5.656 14.326 8.312 1.00 14.22 C ATOM 845 C ASN A 55 4.210 14.802 8.339 1.00 52.10 C ATOM 846 O ASN A 55 3.500 14.614 9.327 1.00 54.14 O ATOM 847 CB ASN A 55 6.611 15.469 8.679 1.00 12.55 C ATOM 848 CG ASN A 55 6.291 16.111 10.015 1.00 23.11 C ATOM 849 OD1 ASN A 55 6.739 15.644 11.062 1.00 42.51 O ATOM 850 ND2 ASN A 55 5.547 17.206 9.988 1.00 44.51 N ATOM 0 H ASN A 55 5.991 14.498 6.252 1.00 1.01 H new ATOM 0 HA ASN A 55 5.760 13.529 9.049 1.00 14.22 H new ATOM 0 HB2 ASN A 55 7.632 15.087 8.702 1.00 12.55 H new ATOM 0 HB3 ASN A 55 6.573 16.230 7.899 1.00 12.55 H new ATOM 0 HD21 ASN A 55 5.326 17.694 10.856 1.00 44.51 H new ATOM 0 HD22 ASN A 55 5.195 17.561 9.099 1.00 44.51 H new ATOM 857 N SER A 56 3.775 15.402 7.239 1.00 3.14 N ATOM 858 CA SER A 56 2.420 15.928 7.126 1.00 53.35 C ATOM 859 C SER A 56 1.446 14.853 6.645 1.00 32.44 C ATOM 860 O SER A 56 0.275 15.127 6.389 1.00 1.43 O ATOM 861 CB SER A 56 2.417 17.116 6.163 1.00 55.55 C ATOM 862 OG SER A 56 3.105 16.803 4.959 1.00 64.13 O ATOM 0 H SER A 56 4.346 15.538 6.405 1.00 3.14 H new ATOM 0 HA SER A 56 2.090 16.255 8.112 1.00 53.35 H new ATOM 0 HB2 SER A 56 1.390 17.400 5.935 1.00 55.55 H new ATOM 0 HB3 SER A 56 2.887 17.976 6.640 1.00 55.55 H new ATOM 0 HG SER A 56 3.087 17.579 4.361 1.00 64.13 H new ATOM 868 N MET A 57 1.935 13.627 6.538 1.00 25.43 N ATOM 869 CA MET A 57 1.121 12.520 6.072 1.00 31.55 C ATOM 870 C MET A 57 1.325 11.306 6.963 1.00 64.54 C ATOM 871 O MET A 57 2.455 10.942 7.278 1.00 4.34 O ATOM 872 CB MET A 57 1.477 12.182 4.622 1.00 12.31 C ATOM 873 CG MET A 57 0.708 11.001 4.057 1.00 25.13 C ATOM 874 SD MET A 57 1.160 10.626 2.351 1.00 3.33 S ATOM 875 CE MET A 57 0.666 12.140 1.525 1.00 34.41 C ATOM 0 H MET A 57 2.896 13.375 6.769 1.00 25.43 H new ATOM 0 HA MET A 57 0.071 12.810 6.117 1.00 31.55 H new ATOM 0 HB2 MET A 57 1.289 13.057 3.999 1.00 12.31 H new ATOM 0 HB3 MET A 57 2.544 11.970 4.561 1.00 12.31 H new ATOM 0 HG2 MET A 57 0.890 10.124 4.678 1.00 25.13 H new ATOM 0 HG3 MET A 57 -0.360 11.211 4.108 1.00 25.13 H new ATOM 0 HE1 MET A 57 0.544 11.950 0.459 1.00 34.41 H new ATOM 0 HE2 MET A 57 -0.278 12.490 1.942 1.00 34.41 H new ATOM 0 HE3 MET A 57 1.432 12.901 1.672 1.00 34.41 H new ATOM 885 N ALA A 58 0.229 10.699 7.389 1.00 21.02 N ATOM 886 CA ALA A 58 0.297 9.513 8.228 1.00 34.42 C ATOM 887 C ALA A 58 -0.274 8.308 7.496 1.00 73.30 C ATOM 888 O ALA A 58 -1.360 8.378 6.923 1.00 72.32 O ATOM 889 CB ALA A 58 -0.446 9.749 9.533 1.00 54.11 C ATOM 0 H ALA A 58 -0.718 11.008 7.168 1.00 21.02 H new ATOM 0 HA ALA A 58 1.343 9.308 8.457 1.00 34.42 H new ATOM 0 HB1 ALA A 58 -0.388 8.854 10.152 1.00 54.11 H new ATOM 0 HB2 ALA A 58 0.007 10.587 10.063 1.00 54.11 H new ATOM 0 HB3 ALA A 58 -1.491 9.976 9.321 1.00 54.11 H new ATOM 895 N LEU A 59 0.467 7.212 7.500 1.00 1.24 N ATOM 896 CA LEU A 59 0.033 6.000 6.822 1.00 74.14 C ATOM 897 C LEU A 59 -0.537 4.999 7.822 1.00 0.24 C ATOM 898 O LEU A 59 0.204 4.316 8.527 1.00 73.33 O ATOM 899 CB LEU A 59 1.198 5.373 6.052 1.00 70.32 C ATOM 900 CG LEU A 59 1.820 6.268 4.975 1.00 32.43 C ATOM 901 CD1 LEU A 59 2.977 5.558 4.292 1.00 22.03 C ATOM 902 CD2 LEU A 59 0.770 6.681 3.951 1.00 32.54 C ATOM 0 H LEU A 59 1.372 7.136 7.965 1.00 1.24 H new ATOM 0 HA LEU A 59 -0.752 6.266 6.114 1.00 74.14 H new ATOM 0 HB2 LEU A 59 1.975 5.093 6.763 1.00 70.32 H new ATOM 0 HB3 LEU A 59 0.850 4.453 5.582 1.00 70.32 H new ATOM 0 HG LEU A 59 2.204 7.167 5.457 1.00 32.43 H new ATOM 0 HD11 LEU A 59 3.405 6.210 3.531 1.00 22.03 H new ATOM 0 HD12 LEU A 59 3.740 5.312 5.031 1.00 22.03 H new ATOM 0 HD13 LEU A 59 2.617 4.642 3.824 1.00 22.03 H new ATOM 0 HD21 LEU A 59 1.230 7.316 3.194 1.00 32.54 H new ATOM 0 HD22 LEU A 59 0.356 5.792 3.476 1.00 32.54 H new ATOM 0 HD23 LEU A 59 -0.028 7.231 4.450 1.00 32.54 H new ATOM 914 N GLU A 60 -1.856 4.935 7.891 1.00 3.21 N ATOM 915 CA GLU A 60 -2.534 4.018 8.793 1.00 51.04 C ATOM 916 C GLU A 60 -2.740 2.658 8.138 1.00 15.51 C ATOM 917 O GLU A 60 -3.509 2.527 7.185 1.00 22.21 O ATOM 918 CB GLU A 60 -3.875 4.601 9.225 1.00 20.53 C ATOM 919 CG GLU A 60 -3.778 5.540 10.413 1.00 62.13 C ATOM 920 CD GLU A 60 -3.481 4.804 11.704 1.00 65.41 C ATOM 921 OE1 GLU A 60 -4.423 4.218 12.281 1.00 14.13 O ATOM 922 OE2 GLU A 60 -2.316 4.810 12.149 1.00 64.33 O ATOM 0 H GLU A 60 -2.483 5.511 7.329 1.00 3.21 H new ATOM 0 HA GLU A 60 -1.905 3.880 9.673 1.00 51.04 H new ATOM 0 HB2 GLU A 60 -4.316 5.137 8.384 1.00 20.53 H new ATOM 0 HB3 GLU A 60 -4.553 3.784 9.473 1.00 20.53 H new ATOM 0 HG2 GLU A 60 -2.996 6.276 10.229 1.00 62.13 H new ATOM 0 HG3 GLU A 60 -4.714 6.089 10.517 1.00 62.13 H new ATOM 929 N LEU A 61 -2.042 1.657 8.647 1.00 41.20 N ATOM 930 CA LEU A 61 -2.167 0.298 8.143 1.00 43.04 C ATOM 931 C LEU A 61 -3.317 -0.419 8.841 1.00 1.12 C ATOM 932 O LEU A 61 -3.266 -0.667 10.050 1.00 52.05 O ATOM 933 CB LEU A 61 -0.860 -0.467 8.368 1.00 74.20 C ATOM 934 CG LEU A 61 -0.850 -1.913 7.865 1.00 55.31 C ATOM 935 CD1 LEU A 61 -1.030 -1.958 6.356 1.00 64.41 C ATOM 936 CD2 LEU A 61 0.443 -2.604 8.269 1.00 34.34 C ATOM 0 H LEU A 61 -1.378 1.760 9.414 1.00 41.20 H new ATOM 0 HA LEU A 61 -2.375 0.338 7.074 1.00 43.04 H new ATOM 0 HB2 LEU A 61 -0.052 0.076 7.877 1.00 74.20 H new ATOM 0 HB3 LEU A 61 -0.640 -0.470 9.436 1.00 74.20 H new ATOM 0 HG LEU A 61 -1.685 -2.443 8.323 1.00 55.31 H new ATOM 0 HD11 LEU A 61 -1.020 -2.995 6.019 1.00 64.41 H new ATOM 0 HD12 LEU A 61 -1.982 -1.499 6.089 1.00 64.41 H new ATOM 0 HD13 LEU A 61 -0.217 -1.413 5.876 1.00 64.41 H new ATOM 0 HD21 LEU A 61 0.436 -3.631 7.905 1.00 34.34 H new ATOM 0 HD22 LEU A 61 1.290 -2.072 7.837 1.00 34.34 H new ATOM 0 HD23 LEU A 61 0.531 -2.605 9.355 1.00 34.34 H new ATOM 948 N TYR A 62 -4.357 -0.741 8.088 1.00 14.11 N ATOM 949 CA TYR A 62 -5.513 -1.415 8.656 1.00 44.10 C ATOM 950 C TYR A 62 -5.687 -2.819 8.099 1.00 63.41 C ATOM 951 O TYR A 62 -5.567 -3.049 6.891 1.00 14.44 O ATOM 952 CB TYR A 62 -6.791 -0.615 8.417 1.00 61.05 C ATOM 953 CG TYR A 62 -6.816 0.712 9.130 1.00 44.10 C ATOM 954 CD1 TYR A 62 -6.490 0.803 10.475 1.00 53.33 C ATOM 955 CD2 TYR A 62 -7.156 1.874 8.456 1.00 72.35 C ATOM 956 CE1 TYR A 62 -6.505 2.017 11.130 1.00 11.05 C ATOM 957 CE2 TYR A 62 -7.172 3.089 9.101 1.00 74.11 C ATOM 958 CZ TYR A 62 -6.846 3.157 10.436 1.00 64.23 C ATOM 959 OH TYR A 62 -6.850 4.373 11.077 1.00 44.53 O ATOM 0 H TYR A 62 -4.424 -0.548 7.089 1.00 14.11 H new ATOM 0 HA TYR A 62 -5.330 -1.490 9.728 1.00 44.10 H new ATOM 0 HB2 TYR A 62 -6.908 -0.445 7.347 1.00 61.05 H new ATOM 0 HB3 TYR A 62 -7.646 -1.208 8.741 1.00 61.05 H new ATOM 0 HD1 TYR A 62 -6.220 -0.091 11.018 1.00 53.33 H new ATOM 0 HD2 TYR A 62 -7.412 1.825 7.408 1.00 72.35 H new ATOM 0 HE1 TYR A 62 -6.251 2.073 12.178 1.00 11.05 H new ATOM 0 HE2 TYR A 62 -7.439 3.986 8.562 1.00 74.11 H new ATOM 0 HH TYR A 62 -6.061 4.441 11.654 1.00 44.53 H new ATOM 969 N ASP A 63 -5.972 -3.746 8.997 1.00 62.24 N ATOM 970 CA ASP A 63 -6.304 -5.109 8.624 1.00 51.43 C ATOM 971 C ASP A 63 -7.774 -5.184 8.243 1.00 43.04 C ATOM 972 O ASP A 63 -8.640 -4.766 9.020 1.00 63.21 O ATOM 973 CB ASP A 63 -6.008 -6.066 9.782 1.00 10.23 C ATOM 974 CG ASP A 63 -6.512 -7.473 9.526 1.00 53.15 C ATOM 975 OD1 ASP A 63 -5.945 -8.167 8.660 1.00 74.35 O ATOM 976 OD2 ASP A 63 -7.467 -7.899 10.209 1.00 33.31 O ATOM 0 H ASP A 63 -5.980 -3.575 10.003 1.00 62.24 H new ATOM 0 HA ASP A 63 -5.694 -5.405 7.770 1.00 51.43 H new ATOM 0 HB2 ASP A 63 -4.932 -6.096 9.956 1.00 10.23 H new ATOM 0 HB3 ASP A 63 -6.467 -5.681 10.692 1.00 10.23 H new ATOM 981 N ASP A 64 -8.034 -5.673 7.033 1.00 62.11 N ATOM 982 CA ASP A 64 -9.384 -5.799 6.485 1.00 52.14 C ATOM 983 C ASP A 64 -9.958 -4.433 6.127 1.00 11.11 C ATOM 984 O ASP A 64 -10.190 -4.138 4.955 1.00 1.21 O ATOM 985 CB ASP A 64 -10.318 -6.539 7.452 1.00 15.13 C ATOM 986 CG ASP A 64 -11.742 -6.595 6.944 1.00 3.23 C ATOM 987 OD1 ASP A 64 -12.021 -7.403 6.035 1.00 24.22 O ATOM 988 OD2 ASP A 64 -12.594 -5.838 7.457 1.00 24.34 O ATOM 0 H ASP A 64 -7.305 -5.997 6.397 1.00 62.11 H new ATOM 0 HA ASP A 64 -9.310 -6.391 5.573 1.00 52.14 H new ATOM 0 HB2 ASP A 64 -9.949 -7.553 7.605 1.00 15.13 H new ATOM 0 HB3 ASP A 64 -10.300 -6.043 8.422 1.00 15.13 H new ATOM 993 N SER A 65 -10.154 -3.595 7.133 1.00 64.42 N ATOM 994 CA SER A 65 -10.749 -2.275 6.934 1.00 71.10 C ATOM 995 C SER A 65 -10.470 -1.340 8.113 1.00 25.33 C ATOM 996 O SER A 65 -9.998 -0.219 7.923 1.00 63.04 O ATOM 997 CB SER A 65 -12.265 -2.384 6.723 1.00 51.03 C ATOM 998 OG SER A 65 -12.574 -3.054 5.509 1.00 24.13 O ATOM 0 H SER A 65 -9.910 -3.803 8.101 1.00 64.42 H new ATOM 0 HA SER A 65 -10.287 -1.853 6.042 1.00 71.10 H new ATOM 0 HB2 SER A 65 -12.712 -2.920 7.560 1.00 51.03 H new ATOM 0 HB3 SER A 65 -12.705 -1.387 6.712 1.00 51.03 H new ATOM 0 HG SER A 65 -11.747 -3.233 5.014 1.00 24.13 H new ATOM 1004 N GLY A 66 -10.763 -1.793 9.328 1.00 55.50 N ATOM 1005 CA GLY A 66 -10.683 -0.900 10.469 1.00 21.42 C ATOM 1006 C GLY A 66 -9.608 -1.271 11.474 1.00 24.03 C ATOM 1007 O GLY A 66 -9.111 -0.402 12.193 1.00 30.32 O ATOM 0 H GLY A 66 -11.050 -2.748 9.541 1.00 55.50 H new ATOM 0 HA2 GLY A 66 -10.497 0.113 10.111 1.00 21.42 H new ATOM 0 HA3 GLY A 66 -11.649 -0.887 10.975 1.00 21.42 H new ATOM 1011 N SER A 67 -9.245 -2.547 11.525 1.00 40.10 N ATOM 1012 CA SER A 67 -8.305 -3.042 12.527 1.00 22.30 C ATOM 1013 C SER A 67 -6.948 -2.352 12.404 1.00 75.13 C ATOM 1014 O SER A 67 -6.260 -2.489 11.394 1.00 54.30 O ATOM 1015 CB SER A 67 -8.146 -4.552 12.378 1.00 15.42 C ATOM 1016 OG SER A 67 -9.408 -5.198 12.422 1.00 63.40 O ATOM 0 H SER A 67 -9.588 -3.261 10.882 1.00 40.10 H new ATOM 0 HA SER A 67 -8.704 -2.814 13.515 1.00 22.30 H new ATOM 0 HB2 SER A 67 -7.649 -4.779 11.435 1.00 15.42 H new ATOM 0 HB3 SER A 67 -7.508 -4.935 13.174 1.00 15.42 H new ATOM 0 HG SER A 67 -9.284 -6.165 12.323 1.00 63.40 H new ATOM 1022 N LYS A 68 -6.574 -1.615 13.438 1.00 24.25 N ATOM 1023 CA LYS A 68 -5.325 -0.867 13.441 1.00 52.35 C ATOM 1024 C LYS A 68 -4.148 -1.807 13.684 1.00 61.01 C ATOM 1025 O LYS A 68 -3.947 -2.293 14.800 1.00 41.10 O ATOM 1026 CB LYS A 68 -5.375 0.218 14.521 1.00 13.55 C ATOM 1027 CG LYS A 68 -4.170 1.147 14.534 1.00 22.31 C ATOM 1028 CD LYS A 68 -4.222 2.097 15.722 1.00 0.34 C ATOM 1029 CE LYS A 68 -5.434 3.021 15.666 1.00 21.43 C ATOM 1030 NZ LYS A 68 -5.222 4.169 14.750 1.00 55.30 N ATOM 0 H LYS A 68 -7.122 -1.518 14.293 1.00 24.25 H new ATOM 0 HA LYS A 68 -5.191 -0.392 12.469 1.00 52.35 H new ATOM 0 HB2 LYS A 68 -6.277 0.814 14.379 1.00 13.55 H new ATOM 0 HB3 LYS A 68 -5.460 -0.261 15.496 1.00 13.55 H new ATOM 0 HG2 LYS A 68 -3.254 0.558 14.575 1.00 22.31 H new ATOM 0 HG3 LYS A 68 -4.139 1.720 13.607 1.00 22.31 H new ATOM 0 HD2 LYS A 68 -4.249 1.520 16.646 1.00 0.34 H new ATOM 0 HD3 LYS A 68 -3.311 2.696 15.747 1.00 0.34 H new ATOM 0 HE2 LYS A 68 -6.306 2.454 15.340 1.00 21.43 H new ATOM 0 HE3 LYS A 68 -5.652 3.393 16.667 1.00 21.43 H new ATOM 0 HZ1 LYS A 68 -6.028 4.823 14.820 1.00 55.30 H new ATOM 0 HZ2 LYS A 68 -4.348 4.667 15.014 1.00 55.30 H new ATOM 0 HZ3 LYS A 68 -5.141 3.823 13.773 1.00 55.30 H new ATOM 1044 N VAL A 69 -3.386 -2.079 12.634 1.00 45.24 N ATOM 1045 CA VAL A 69 -2.254 -2.993 12.726 1.00 54.41 C ATOM 1046 C VAL A 69 -0.967 -2.318 12.258 1.00 3.33 C ATOM 1047 O VAL A 69 -0.086 -2.959 11.682 1.00 72.42 O ATOM 1048 CB VAL A 69 -2.494 -4.280 11.903 1.00 51.42 C ATOM 1049 CG1 VAL A 69 -3.630 -5.099 12.497 1.00 75.32 C ATOM 1050 CG2 VAL A 69 -2.785 -3.949 10.448 1.00 63.11 C ATOM 0 H VAL A 69 -3.531 -1.680 11.707 1.00 45.24 H new ATOM 0 HA VAL A 69 -2.151 -3.269 13.776 1.00 54.41 H new ATOM 0 HB VAL A 69 -1.582 -4.876 11.943 1.00 51.42 H new ATOM 0 HG11 VAL A 69 -3.780 -5.999 11.901 1.00 75.32 H new ATOM 0 HG12 VAL A 69 -3.380 -5.379 13.520 1.00 75.32 H new ATOM 0 HG13 VAL A 69 -4.545 -4.507 12.496 1.00 75.32 H new ATOM 0 HG21 VAL A 69 -2.950 -4.871 9.891 1.00 63.11 H new ATOM 0 HG22 VAL A 69 -3.676 -3.325 10.388 1.00 63.11 H new ATOM 0 HG23 VAL A 69 -1.937 -3.414 10.020 1.00 63.11 H new ATOM 1060 N ALA A 70 -0.856 -1.026 12.535 1.00 62.24 N ATOM 1061 CA ALA A 70 0.305 -0.246 12.134 1.00 54.22 C ATOM 1062 C ALA A 70 1.553 -0.708 12.879 1.00 12.21 C ATOM 1063 O ALA A 70 1.693 -0.487 14.081 1.00 61.05 O ATOM 1064 CB ALA A 70 0.053 1.234 12.379 1.00 11.41 C ATOM 0 H ALA A 70 -1.563 -0.493 13.041 1.00 62.24 H new ATOM 0 HA ALA A 70 0.472 -0.400 11.068 1.00 54.22 H new ATOM 0 HB1 ALA A 70 0.929 1.807 12.075 1.00 11.41 H new ATOM 0 HB2 ALA A 70 -0.811 1.557 11.799 1.00 11.41 H new ATOM 0 HB3 ALA A 70 -0.139 1.400 13.439 1.00 11.41 H new ATOM 1070 N VAL A 71 2.445 -1.364 12.153 1.00 12.22 N ATOM 1071 CA VAL A 71 3.682 -1.863 12.726 1.00 71.23 C ATOM 1072 C VAL A 71 4.862 -1.414 11.870 1.00 73.14 C ATOM 1073 O VAL A 71 4.739 -1.304 10.649 1.00 15.32 O ATOM 1074 CB VAL A 71 3.664 -3.409 12.844 1.00 63.02 C ATOM 1075 CG1 VAL A 71 3.524 -4.066 11.478 1.00 65.31 C ATOM 1076 CG2 VAL A 71 4.906 -3.920 13.559 1.00 63.24 C ATOM 0 H VAL A 71 2.332 -1.563 11.159 1.00 12.22 H new ATOM 0 HA VAL A 71 3.785 -1.453 13.731 1.00 71.23 H new ATOM 0 HB VAL A 71 2.793 -3.681 13.440 1.00 63.02 H new ATOM 0 HG11 VAL A 71 3.515 -5.150 11.595 1.00 65.31 H new ATOM 0 HG12 VAL A 71 2.593 -3.743 11.013 1.00 65.31 H new ATOM 0 HG13 VAL A 71 4.364 -3.776 10.847 1.00 65.31 H new ATOM 0 HG21 VAL A 71 4.865 -5.007 13.627 1.00 63.24 H new ATOM 0 HG22 VAL A 71 5.795 -3.624 13.001 1.00 63.24 H new ATOM 0 HG23 VAL A 71 4.949 -3.495 14.562 1.00 63.24 H new ATOM 1086 N LEU A 72 5.989 -1.130 12.506 1.00 72.30 N ATOM 1087 CA LEU A 72 7.165 -0.679 11.781 1.00 65.03 C ATOM 1088 C LEU A 72 8.312 -1.671 11.946 1.00 32.12 C ATOM 1089 O LEU A 72 8.969 -1.722 12.988 1.00 55.13 O ATOM 1090 CB LEU A 72 7.586 0.713 12.250 1.00 52.52 C ATOM 1091 CG LEU A 72 8.588 1.422 11.339 1.00 51.55 C ATOM 1092 CD1 LEU A 72 8.011 1.568 9.939 1.00 34.42 C ATOM 1093 CD2 LEU A 72 8.953 2.782 11.912 1.00 74.31 C ATOM 0 H LEU A 72 6.113 -1.203 13.516 1.00 72.30 H new ATOM 0 HA LEU A 72 6.912 -0.621 10.722 1.00 65.03 H new ATOM 0 HB2 LEU A 72 6.695 1.335 12.340 1.00 52.52 H new ATOM 0 HB3 LEU A 72 8.019 0.629 13.247 1.00 52.52 H new ATOM 0 HG LEU A 72 9.495 0.821 11.279 1.00 51.55 H new ATOM 0 HD11 LEU A 72 8.733 2.074 9.299 1.00 34.42 H new ATOM 0 HD12 LEU A 72 7.793 0.581 9.531 1.00 34.42 H new ATOM 0 HD13 LEU A 72 7.092 2.153 9.983 1.00 34.42 H new ATOM 0 HD21 LEU A 72 9.667 3.275 11.252 1.00 74.31 H new ATOM 0 HD22 LEU A 72 8.055 3.394 11.997 1.00 74.31 H new ATOM 0 HD23 LEU A 72 9.399 2.654 12.898 1.00 74.31 H new ATOM 1105 N SER A 73 8.522 -2.471 10.914 1.00 12.13 N ATOM 1106 CA SER A 73 9.583 -3.472 10.892 1.00 73.54 C ATOM 1107 C SER A 73 9.776 -3.934 9.452 1.00 63.50 C ATOM 1108 O SER A 73 10.320 -5.006 9.180 1.00 60.43 O ATOM 1109 CB SER A 73 9.203 -4.656 11.797 1.00 25.14 C ATOM 1110 OG SER A 73 10.231 -5.633 11.850 1.00 41.10 O ATOM 0 H SER A 73 7.961 -2.447 10.063 1.00 12.13 H new ATOM 0 HA SER A 73 10.514 -3.047 11.267 1.00 73.54 H new ATOM 0 HB2 SER A 73 8.996 -4.292 12.803 1.00 25.14 H new ATOM 0 HB3 SER A 73 8.285 -5.114 11.429 1.00 25.14 H new ATOM 0 HG SER A 73 10.602 -5.766 10.953 1.00 41.10 H new ATOM 1116 N ASP A 74 9.348 -3.077 8.541 1.00 55.55 N ATOM 1117 CA ASP A 74 9.200 -3.422 7.137 1.00 50.42 C ATOM 1118 C ASP A 74 10.171 -2.650 6.254 1.00 43.05 C ATOM 1119 O ASP A 74 10.330 -2.963 5.077 1.00 41.24 O ATOM 1120 CB ASP A 74 7.765 -3.115 6.708 1.00 50.30 C ATOM 1121 CG ASP A 74 7.343 -1.715 7.120 1.00 4.31 C ATOM 1122 OD1 ASP A 74 7.102 -1.498 8.329 1.00 2.34 O ATOM 1123 OD2 ASP A 74 7.263 -0.823 6.252 1.00 13.31 O ATOM 0 H ASP A 74 9.091 -2.114 8.757 1.00 55.55 H new ATOM 0 HA ASP A 74 9.423 -4.482 7.019 1.00 50.42 H new ATOM 0 HB2 ASP A 74 7.679 -3.218 5.626 1.00 50.30 H new ATOM 0 HB3 ASP A 74 7.088 -3.845 7.152 1.00 50.30 H new ATOM 1128 N ASP A 75 10.822 -1.642 6.818 1.00 2.31 N ATOM 1129 CA ASP A 75 11.752 -0.827 6.045 1.00 32.25 C ATOM 1130 C ASP A 75 12.935 -1.661 5.586 1.00 42.13 C ATOM 1131 O ASP A 75 13.364 -1.582 4.436 1.00 33.13 O ATOM 1132 CB ASP A 75 12.265 0.364 6.861 1.00 13.31 C ATOM 1133 CG ASP A 75 11.178 1.356 7.211 1.00 54.51 C ATOM 1134 OD1 ASP A 75 10.726 2.095 6.316 1.00 24.15 O ATOM 1135 OD2 ASP A 75 10.782 1.412 8.392 1.00 21.35 O ATOM 0 H ASP A 75 10.726 -1.370 7.796 1.00 2.31 H new ATOM 0 HA ASP A 75 11.209 -0.450 5.178 1.00 32.25 H new ATOM 0 HB2 ASP A 75 12.723 -0.003 7.779 1.00 13.31 H new ATOM 0 HB3 ASP A 75 13.046 0.874 6.297 1.00 13.31 H new ATOM 1140 N SER A 76 13.440 -2.486 6.484 1.00 43.21 N ATOM 1141 CA SER A 76 14.634 -3.263 6.215 1.00 61.33 C ATOM 1142 C SER A 76 14.284 -4.698 5.826 1.00 64.44 C ATOM 1143 O SER A 76 15.164 -5.552 5.720 1.00 45.23 O ATOM 1144 CB SER A 76 15.520 -3.255 7.457 1.00 55.32 C ATOM 1145 OG SER A 76 15.596 -1.950 8.012 1.00 42.01 O ATOM 0 H SER A 76 13.039 -2.635 7.410 1.00 43.21 H new ATOM 0 HA SER A 76 15.166 -2.814 5.376 1.00 61.33 H new ATOM 0 HB2 SER A 76 15.122 -3.948 8.198 1.00 55.32 H new ATOM 0 HB3 SER A 76 16.520 -3.604 7.199 1.00 55.32 H new ATOM 0 HG SER A 76 16.167 -1.966 8.808 1.00 42.01 H new ATOM 1151 N ARG A 77 13.001 -4.957 5.596 1.00 33.03 N ATOM 1152 CA ARG A 77 12.534 -6.316 5.351 1.00 25.12 C ATOM 1153 C ARG A 77 11.601 -6.380 4.146 1.00 73.30 C ATOM 1154 O ARG A 77 10.762 -5.504 3.950 1.00 71.23 O ATOM 1155 CB ARG A 77 11.820 -6.855 6.597 1.00 55.13 C ATOM 1156 CG ARG A 77 12.746 -7.054 7.786 1.00 55.24 C ATOM 1157 CD ARG A 77 13.763 -8.144 7.503 1.00 30.02 C ATOM 1158 NE ARG A 77 14.798 -8.229 8.529 1.00 33.14 N ATOM 1159 CZ ARG A 77 15.290 -9.376 8.993 1.00 64.43 C ATOM 1160 NH1 ARG A 77 14.756 -10.532 8.611 1.00 73.25 N ATOM 1161 NH2 ARG A 77 16.298 -9.372 9.853 1.00 72.34 N ATOM 0 H ARG A 77 12.269 -4.247 5.574 1.00 33.03 H new ATOM 0 HA ARG A 77 13.404 -6.935 5.132 1.00 25.12 H new ATOM 0 HB2 ARG A 77 11.024 -6.165 6.877 1.00 55.13 H new ATOM 0 HB3 ARG A 77 11.346 -7.806 6.352 1.00 55.13 H new ATOM 0 HG2 ARG A 77 13.261 -6.120 8.011 1.00 55.24 H new ATOM 0 HG3 ARG A 77 12.161 -7.316 8.668 1.00 55.24 H new ATOM 0 HD2 ARG A 77 13.250 -9.103 7.429 1.00 30.02 H new ATOM 0 HD3 ARG A 77 14.230 -7.957 6.536 1.00 30.02 H new ATOM 0 HE ARG A 77 15.166 -7.359 8.913 1.00 33.14 H new ATOM 0 HH11 ARG A 77 13.969 -10.541 7.962 1.00 73.25 H new ATOM 0 HH12 ARG A 77 15.133 -11.410 8.967 1.00 73.25 H new ATOM 0 HH21 ARG A 77 16.701 -8.487 10.163 1.00 72.34 H new ATOM 0 HH22 ARG A 77 16.671 -10.253 10.205 1.00 72.34 H new ATOM 1175 N PRO A 78 11.757 -7.416 3.305 1.00 32.14 N ATOM 1176 CA PRO A 78 10.845 -7.669 2.190 1.00 44.41 C ATOM 1177 C PRO A 78 9.448 -8.013 2.695 1.00 2.22 C ATOM 1178 O PRO A 78 9.280 -8.944 3.485 1.00 35.41 O ATOM 1179 CB PRO A 78 11.465 -8.875 1.467 1.00 62.24 C ATOM 1180 CG PRO A 78 12.870 -8.951 1.965 1.00 71.22 C ATOM 1181 CD PRO A 78 12.840 -8.408 3.363 1.00 2.33 C ATOM 0 HA PRO A 78 10.730 -6.799 1.543 1.00 44.41 H new ATOM 0 HB2 PRO A 78 10.918 -9.791 1.690 1.00 62.24 H new ATOM 0 HB3 PRO A 78 11.437 -8.742 0.385 1.00 62.24 H new ATOM 0 HG2 PRO A 78 13.234 -9.978 1.953 1.00 71.22 H new ATOM 0 HG3 PRO A 78 13.540 -8.368 1.334 1.00 71.22 H new ATOM 0 HD2 PRO A 78 12.634 -9.189 4.096 1.00 2.33 H new ATOM 0 HD3 PRO A 78 13.791 -7.953 3.640 1.00 2.33 H new ATOM 1189 N LEU A 79 8.448 -7.270 2.227 1.00 14.23 N ATOM 1190 CA LEU A 79 7.075 -7.413 2.715 1.00 74.33 C ATOM 1191 C LEU A 79 6.561 -8.847 2.549 1.00 33.43 C ATOM 1192 O LEU A 79 5.768 -9.333 3.358 1.00 55.25 O ATOM 1193 CB LEU A 79 6.157 -6.442 1.969 1.00 53.15 C ATOM 1194 CG LEU A 79 4.727 -6.356 2.507 1.00 61.05 C ATOM 1195 CD1 LEU A 79 4.723 -5.839 3.940 1.00 10.13 C ATOM 1196 CD2 LEU A 79 3.879 -5.460 1.620 1.00 43.32 C ATOM 0 H LEU A 79 8.562 -6.558 1.506 1.00 14.23 H new ATOM 0 HA LEU A 79 7.072 -7.180 3.780 1.00 74.33 H new ATOM 0 HB2 LEU A 79 6.602 -5.447 2.003 1.00 53.15 H new ATOM 0 HB3 LEU A 79 6.117 -6.737 0.921 1.00 53.15 H new ATOM 0 HG LEU A 79 4.298 -7.358 2.501 1.00 61.05 H new ATOM 0 HD11 LEU A 79 3.697 -5.785 4.304 1.00 10.13 H new ATOM 0 HD12 LEU A 79 5.298 -6.516 4.573 1.00 10.13 H new ATOM 0 HD13 LEU A 79 5.171 -4.846 3.970 1.00 10.13 H new ATOM 0 HD21 LEU A 79 2.865 -5.410 2.017 1.00 43.32 H new ATOM 0 HD22 LEU A 79 4.309 -4.459 1.596 1.00 43.32 H new ATOM 0 HD23 LEU A 79 3.853 -5.868 0.609 1.00 43.32 H new ATOM 1208 N GLY A 80 7.035 -9.530 1.511 1.00 45.31 N ATOM 1209 CA GLY A 80 6.570 -10.878 1.230 1.00 51.34 C ATOM 1210 C GLY A 80 7.146 -11.913 2.180 1.00 21.41 C ATOM 1211 O GLY A 80 6.578 -12.994 2.341 1.00 73.11 O ATOM 0 H GLY A 80 7.734 -9.174 0.859 1.00 45.31 H new ATOM 0 HA2 GLY A 80 5.482 -10.902 1.292 1.00 51.34 H new ATOM 0 HA3 GLY A 80 6.837 -11.143 0.207 1.00 51.34 H new ATOM 1215 N PHE A 81 8.256 -11.578 2.829 1.00 31.22 N ATOM 1216 CA PHE A 81 8.922 -12.511 3.732 1.00 73.22 C ATOM 1217 C PHE A 81 8.056 -12.756 4.966 1.00 34.41 C ATOM 1218 O PHE A 81 8.082 -13.839 5.554 1.00 0.43 O ATOM 1219 CB PHE A 81 10.299 -11.972 4.143 1.00 43.21 C ATOM 1220 CG PHE A 81 11.079 -12.909 5.021 1.00 52.45 C ATOM 1221 CD1 PHE A 81 11.680 -14.039 4.492 1.00 74.12 C ATOM 1222 CD2 PHE A 81 11.218 -12.655 6.378 1.00 62.45 C ATOM 1223 CE1 PHE A 81 12.404 -14.899 5.297 1.00 32.42 C ATOM 1224 CE2 PHE A 81 11.939 -13.511 7.189 1.00 4.14 C ATOM 1225 CZ PHE A 81 12.534 -14.635 6.647 1.00 1.21 C ATOM 0 H PHE A 81 8.713 -10.670 2.747 1.00 31.22 H new ATOM 0 HA PHE A 81 9.066 -13.458 3.211 1.00 73.22 H new ATOM 0 HB2 PHE A 81 10.880 -11.762 3.245 1.00 43.21 H new ATOM 0 HB3 PHE A 81 10.167 -11.025 4.665 1.00 43.21 H new ATOM 0 HD1 PHE A 81 11.582 -14.251 3.438 1.00 74.12 H new ATOM 0 HD2 PHE A 81 10.757 -11.777 6.806 1.00 62.45 H new ATOM 0 HE1 PHE A 81 12.868 -15.776 4.871 1.00 32.42 H new ATOM 0 HE2 PHE A 81 12.037 -13.302 8.244 1.00 4.14 H new ATOM 0 HZ PHE A 81 13.099 -15.305 7.277 1.00 1.21 H new ATOM 1235 N PHE A 82 7.279 -11.745 5.334 1.00 0.44 N ATOM 1236 CA PHE A 82 6.368 -11.840 6.468 1.00 63.22 C ATOM 1237 C PHE A 82 5.153 -12.692 6.102 1.00 25.31 C ATOM 1238 O PHE A 82 4.452 -13.201 6.980 1.00 11.12 O ATOM 1239 CB PHE A 82 5.928 -10.431 6.892 1.00 71.45 C ATOM 1240 CG PHE A 82 5.032 -10.398 8.096 1.00 22.21 C ATOM 1241 CD1 PHE A 82 5.553 -10.560 9.369 1.00 41.21 C ATOM 1242 CD2 PHE A 82 3.666 -10.202 7.955 1.00 52.52 C ATOM 1243 CE1 PHE A 82 4.732 -10.524 10.477 1.00 35.55 C ATOM 1244 CE2 PHE A 82 2.838 -10.167 9.061 1.00 13.52 C ATOM 1245 CZ PHE A 82 3.371 -10.330 10.324 1.00 65.45 C ATOM 0 H PHE A 82 7.262 -10.842 4.859 1.00 0.44 H new ATOM 0 HA PHE A 82 6.882 -12.318 7.302 1.00 63.22 H new ATOM 0 HB2 PHE A 82 6.816 -9.833 7.098 1.00 71.45 H new ATOM 0 HB3 PHE A 82 5.412 -9.958 6.057 1.00 71.45 H new ATOM 0 HD1 PHE A 82 6.614 -10.716 9.496 1.00 41.21 H new ATOM 0 HD2 PHE A 82 3.244 -10.075 6.969 1.00 52.52 H new ATOM 0 HE1 PHE A 82 5.152 -10.647 11.464 1.00 35.55 H new ATOM 0 HE2 PHE A 82 1.776 -10.012 8.937 1.00 13.52 H new ATOM 0 HZ PHE A 82 2.727 -10.306 11.191 1.00 65.45 H new ATOM 1255 N SER A 83 4.944 -12.860 4.798 1.00 42.10 N ATOM 1256 CA SER A 83 3.804 -13.591 4.255 1.00 34.14 C ATOM 1257 C SER A 83 2.500 -12.847 4.544 1.00 74.22 C ATOM 1258 O SER A 83 1.920 -12.969 5.625 1.00 12.22 O ATOM 1259 CB SER A 83 3.747 -15.026 4.800 1.00 32.54 C ATOM 1260 OG SER A 83 2.744 -15.785 4.143 1.00 42.15 O ATOM 0 H SER A 83 5.568 -12.488 4.082 1.00 42.10 H new ATOM 0 HA SER A 83 3.932 -13.654 3.174 1.00 34.14 H new ATOM 0 HB2 SER A 83 4.716 -15.507 4.667 1.00 32.54 H new ATOM 0 HB3 SER A 83 3.546 -15.003 5.871 1.00 32.54 H new ATOM 0 HG SER A 83 2.730 -16.694 4.508 1.00 42.15 H new ATOM 1266 N PRO A 84 2.040 -12.042 3.575 1.00 23.33 N ATOM 1267 CA PRO A 84 0.811 -11.261 3.703 1.00 73.33 C ATOM 1268 C PRO A 84 -0.444 -12.124 3.612 1.00 31.14 C ATOM 1269 O PRO A 84 -0.441 -13.178 2.974 1.00 43.35 O ATOM 1270 CB PRO A 84 0.866 -10.287 2.514 1.00 24.23 C ATOM 1271 CG PRO A 84 2.232 -10.438 1.926 1.00 65.33 C ATOM 1272 CD PRO A 84 2.683 -11.824 2.277 1.00 53.14 C ATOM 0 HA PRO A 84 0.754 -10.769 4.674 1.00 73.33 H new ATOM 0 HB2 PRO A 84 0.096 -10.523 1.779 1.00 24.23 H new ATOM 0 HB3 PRO A 84 0.692 -9.262 2.840 1.00 24.23 H new ATOM 0 HG2 PRO A 84 2.209 -10.297 0.845 1.00 65.33 H new ATOM 0 HG3 PRO A 84 2.915 -9.691 2.330 1.00 65.33 H new ATOM 0 HD2 PRO A 84 2.362 -12.556 1.536 1.00 53.14 H new ATOM 0 HD3 PRO A 84 3.769 -11.894 2.344 1.00 53.14 H new ATOM 1280 N PHE A 85 -1.507 -11.671 4.266 1.00 0.54 N ATOM 1281 CA PHE A 85 -2.794 -12.357 4.231 1.00 1.05 C ATOM 1282 C PHE A 85 -3.358 -12.358 2.808 1.00 54.44 C ATOM 1283 O PHE A 85 -3.571 -13.411 2.210 1.00 31.11 O ATOM 1284 CB PHE A 85 -3.771 -11.668 5.197 1.00 63.34 C ATOM 1285 CG PHE A 85 -5.131 -12.305 5.265 1.00 34.32 C ATOM 1286 CD1 PHE A 85 -5.360 -13.393 6.089 1.00 63.52 C ATOM 1287 CD2 PHE A 85 -6.183 -11.808 4.508 1.00 12.13 C ATOM 1288 CE1 PHE A 85 -6.611 -13.977 6.156 1.00 40.40 C ATOM 1289 CE2 PHE A 85 -7.434 -12.388 4.572 1.00 3.12 C ATOM 1290 CZ PHE A 85 -7.649 -13.474 5.397 1.00 72.21 C ATOM 0 H PHE A 85 -1.502 -10.823 4.833 1.00 0.54 H new ATOM 0 HA PHE A 85 -2.657 -13.392 4.544 1.00 1.05 H new ATOM 0 HB2 PHE A 85 -3.334 -11.666 6.196 1.00 63.34 H new ATOM 0 HB3 PHE A 85 -3.886 -10.626 4.897 1.00 63.34 H new ATOM 0 HD1 PHE A 85 -4.552 -13.790 6.686 1.00 63.52 H new ATOM 0 HD2 PHE A 85 -6.021 -10.958 3.862 1.00 12.13 H new ATOM 0 HE1 PHE A 85 -6.777 -14.827 6.802 1.00 40.40 H new ATOM 0 HE2 PHE A 85 -8.244 -11.993 3.977 1.00 3.12 H new ATOM 0 HZ PHE A 85 -8.627 -13.929 5.449 1.00 72.21 H new ATOM 1300 N ASP A 86 -3.585 -11.162 2.283 1.00 63.43 N ATOM 1301 CA ASP A 86 -4.092 -10.975 0.926 1.00 44.31 C ATOM 1302 C ASP A 86 -3.918 -9.524 0.527 1.00 11.15 C ATOM 1303 O ASP A 86 -3.279 -9.201 -0.473 1.00 65.22 O ATOM 1304 CB ASP A 86 -5.577 -11.355 0.824 1.00 30.32 C ATOM 1305 CG ASP A 86 -6.192 -10.947 -0.507 1.00 62.30 C ATOM 1306 OD1 ASP A 86 -6.053 -11.702 -1.489 1.00 24.23 O ATOM 1307 OD2 ASP A 86 -6.815 -9.859 -0.577 1.00 72.14 O ATOM 0 H ASP A 86 -3.423 -10.290 2.786 1.00 63.43 H new ATOM 0 HA ASP A 86 -3.529 -11.625 0.257 1.00 44.31 H new ATOM 0 HB2 ASP A 86 -5.683 -12.432 0.955 1.00 30.32 H new ATOM 0 HB3 ASP A 86 -6.127 -10.879 1.636 1.00 30.32 H new ATOM 1312 N GLY A 87 -4.494 -8.652 1.333 1.00 65.22 N ATOM 1313 CA GLY A 87 -4.382 -7.239 1.101 1.00 23.32 C ATOM 1314 C GLY A 87 -4.693 -6.447 2.346 1.00 3.42 C ATOM 1315 O GLY A 87 -5.385 -6.937 3.237 1.00 40.33 O ATOM 0 H GLY A 87 -5.044 -8.906 2.154 1.00 65.22 H new ATOM 0 HA2 GLY A 87 -3.373 -7.004 0.762 1.00 23.32 H new ATOM 0 HA3 GLY A 87 -5.063 -6.945 0.302 1.00 23.32 H new ATOM 1319 N PHE A 88 -4.182 -5.232 2.411 1.00 3.44 N ATOM 1320 CA PHE A 88 -4.390 -4.379 3.571 1.00 1.30 C ATOM 1321 C PHE A 88 -4.909 -3.015 3.143 1.00 74.04 C ATOM 1322 O PHE A 88 -4.837 -2.649 1.967 1.00 52.13 O ATOM 1323 CB PHE A 88 -3.088 -4.214 4.362 1.00 0.15 C ATOM 1324 CG PHE A 88 -2.620 -5.473 5.035 1.00 23.01 C ATOM 1325 CD1 PHE A 88 -3.117 -5.830 6.277 1.00 32.15 C ATOM 1326 CD2 PHE A 88 -1.688 -6.296 4.426 1.00 1.30 C ATOM 1327 CE1 PHE A 88 -2.694 -6.986 6.900 1.00 2.30 C ATOM 1328 CE2 PHE A 88 -1.258 -7.455 5.045 1.00 43.03 C ATOM 1329 CZ PHE A 88 -1.762 -7.802 6.283 1.00 20.43 C ATOM 0 H PHE A 88 -3.618 -4.811 1.673 1.00 3.44 H new ATOM 0 HA PHE A 88 -5.132 -4.855 4.212 1.00 1.30 H new ATOM 0 HB2 PHE A 88 -2.307 -3.862 3.688 1.00 0.15 H new ATOM 0 HB3 PHE A 88 -3.229 -3.441 5.117 1.00 0.15 H new ATOM 0 HD1 PHE A 88 -3.844 -5.196 6.764 1.00 32.15 H new ATOM 0 HD2 PHE A 88 -1.293 -6.030 3.457 1.00 1.30 H new ATOM 0 HE1 PHE A 88 -3.090 -7.254 7.868 1.00 2.30 H new ATOM 0 HE2 PHE A 88 -0.529 -8.088 4.561 1.00 43.03 H new ATOM 0 HZ PHE A 88 -1.430 -8.708 6.768 1.00 20.43 H new ATOM 1339 N ARG A 89 -5.440 -2.273 4.100 1.00 63.25 N ATOM 1340 CA ARG A 89 -5.921 -0.930 3.845 1.00 74.10 C ATOM 1341 C ARG A 89 -4.856 0.091 4.207 1.00 1.34 C ATOM 1342 O ARG A 89 -4.522 0.258 5.380 1.00 53.22 O ATOM 1343 CB ARG A 89 -7.195 -0.651 4.646 1.00 22.55 C ATOM 1344 CG ARG A 89 -8.447 -1.266 4.050 1.00 41.10 C ATOM 1345 CD ARG A 89 -8.793 -0.631 2.713 1.00 60.24 C ATOM 1346 NE ARG A 89 -10.121 -1.020 2.253 1.00 72.12 N ATOM 1347 CZ ARG A 89 -10.956 -0.204 1.607 1.00 72.04 C ATOM 1348 NH1 ARG A 89 -10.558 1.012 1.243 1.00 62.51 N ATOM 1349 NH2 ARG A 89 -12.184 -0.613 1.312 1.00 21.33 N ATOM 0 H ARG A 89 -5.548 -2.582 5.066 1.00 63.25 H new ATOM 0 HA ARG A 89 -6.148 -0.848 2.782 1.00 74.10 H new ATOM 0 HB2 ARG A 89 -7.064 -1.029 5.660 1.00 22.55 H new ATOM 0 HB3 ARG A 89 -7.334 0.427 4.724 1.00 22.55 H new ATOM 0 HG2 ARG A 89 -8.301 -2.338 3.919 1.00 41.10 H new ATOM 0 HG3 ARG A 89 -9.281 -1.140 4.741 1.00 41.10 H new ATOM 0 HD2 ARG A 89 -8.744 0.454 2.803 1.00 60.24 H new ATOM 0 HD3 ARG A 89 -8.051 -0.923 1.970 1.00 60.24 H new ATOM 0 HE ARG A 89 -10.431 -1.974 2.436 1.00 72.12 H new ATOM 0 HH11 ARG A 89 -9.611 1.324 1.458 1.00 62.51 H new ATOM 0 HH12 ARG A 89 -11.200 1.632 0.749 1.00 62.51 H new ATOM 0 HH21 ARG A 89 -12.488 -1.549 1.579 1.00 21.33 H new ATOM 0 HH22 ARG A 89 -12.824 0.009 0.818 1.00 21.33 H new ATOM 1363 N LEU A 90 -4.310 0.747 3.200 1.00 52.43 N ATOM 1364 CA LEU A 90 -3.364 1.822 3.422 1.00 72.31 C ATOM 1365 C LEU A 90 -4.120 3.136 3.515 1.00 24.43 C ATOM 1366 O LEU A 90 -4.413 3.772 2.503 1.00 11.13 O ATOM 1367 CB LEU A 90 -2.321 1.871 2.303 1.00 71.02 C ATOM 1368 CG LEU A 90 -1.432 0.627 2.189 1.00 42.44 C ATOM 1369 CD1 LEU A 90 -0.471 0.752 1.014 1.00 30.05 C ATOM 1370 CD2 LEU A 90 -0.661 0.400 3.481 1.00 13.02 C ATOM 0 H LEU A 90 -4.507 0.553 2.218 1.00 52.43 H new ATOM 0 HA LEU A 90 -2.831 1.646 4.357 1.00 72.31 H new ATOM 0 HB2 LEU A 90 -2.836 2.019 1.354 1.00 71.02 H new ATOM 0 HB3 LEU A 90 -1.684 2.741 2.459 1.00 71.02 H new ATOM 0 HG LEU A 90 -2.077 -0.234 2.013 1.00 42.44 H new ATOM 0 HD11 LEU A 90 0.149 -0.143 0.954 1.00 30.05 H new ATOM 0 HD12 LEU A 90 -1.039 0.863 0.090 1.00 30.05 H new ATOM 0 HD13 LEU A 90 0.165 1.625 1.156 1.00 30.05 H new ATOM 0 HD21 LEU A 90 -0.036 -0.487 3.381 1.00 13.02 H new ATOM 0 HD22 LEU A 90 -0.032 1.266 3.686 1.00 13.02 H new ATOM 0 HD23 LEU A 90 -1.362 0.258 4.303 1.00 13.02 H new ATOM 1382 N HIS A 91 -4.478 3.510 4.732 1.00 62.10 N ATOM 1383 CA HIS A 91 -5.278 4.697 4.955 1.00 70.45 C ATOM 1384 C HIS A 91 -4.379 5.915 5.110 1.00 15.14 C ATOM 1385 O HIS A 91 -3.817 6.161 6.177 1.00 12.41 O ATOM 1386 CB HIS A 91 -6.165 4.511 6.192 1.00 12.50 C ATOM 1387 CG HIS A 91 -7.151 5.617 6.423 1.00 43.32 C ATOM 1388 ND1 HIS A 91 -7.439 6.121 7.675 1.00 14.12 N ATOM 1389 CD2 HIS A 91 -7.937 6.298 5.557 1.00 3.14 C ATOM 1390 CE1 HIS A 91 -8.362 7.060 7.566 1.00 72.51 C ATOM 1391 NE2 HIS A 91 -8.678 7.188 6.293 1.00 3.11 N ATOM 0 H HIS A 91 -4.225 3.005 5.582 1.00 62.10 H new ATOM 0 HA HIS A 91 -5.924 4.857 4.092 1.00 70.45 H new ATOM 0 HB2 HIS A 91 -6.709 3.571 6.095 1.00 12.50 H new ATOM 0 HB3 HIS A 91 -5.527 4.421 7.071 1.00 12.50 H new ATOM 0 HD2 HIS A 91 -7.974 6.166 4.486 1.00 3.14 H new ATOM 0 HE1 HIS A 91 -8.786 7.627 8.382 1.00 72.51 H new ATOM 0 HE2 HIS A 91 -9.363 7.843 5.916 1.00 3.11 H new ATOM 1400 N ILE A 92 -4.229 6.653 4.024 1.00 4.53 N ATOM 1401 CA ILE A 92 -3.415 7.853 4.017 1.00 74.41 C ATOM 1402 C ILE A 92 -4.154 9.003 4.690 1.00 74.25 C ATOM 1403 O ILE A 92 -5.181 9.470 4.194 1.00 53.11 O ATOM 1404 CB ILE A 92 -3.034 8.248 2.573 1.00 51.43 C ATOM 1405 CG1 ILE A 92 -2.255 7.107 1.904 1.00 43.50 C ATOM 1406 CG2 ILE A 92 -2.224 9.536 2.566 1.00 75.03 C ATOM 1407 CD1 ILE A 92 -1.882 7.385 0.463 1.00 64.24 C ATOM 0 H ILE A 92 -4.666 6.438 3.128 1.00 4.53 H new ATOM 0 HA ILE A 92 -2.502 7.644 4.574 1.00 74.41 H new ATOM 0 HB ILE A 92 -3.947 8.424 2.004 1.00 51.43 H new ATOM 0 HG12 ILE A 92 -1.346 6.917 2.475 1.00 43.50 H new ATOM 0 HG13 ILE A 92 -2.854 6.197 1.946 1.00 43.50 H new ATOM 0 HG21 ILE A 92 -1.965 9.798 1.540 1.00 75.03 H new ATOM 0 HG22 ILE A 92 -2.814 10.339 3.007 1.00 75.03 H new ATOM 0 HG23 ILE A 92 -1.312 9.395 3.146 1.00 75.03 H new ATOM 0 HD11 ILE A 92 -1.334 6.534 0.058 1.00 64.24 H new ATOM 0 HD12 ILE A 92 -2.787 7.545 -0.123 1.00 64.24 H new ATOM 0 HD13 ILE A 92 -1.256 8.276 0.415 1.00 64.24 H new ATOM 1419 N ILE A 93 -3.648 9.426 5.840 1.00 62.11 N ATOM 1420 CA ILE A 93 -4.207 10.567 6.545 1.00 72.21 C ATOM 1421 C ILE A 93 -3.773 11.850 5.855 1.00 55.23 C ATOM 1422 O ILE A 93 -2.637 12.301 6.018 1.00 41.54 O ATOM 1423 CB ILE A 93 -3.764 10.610 8.027 1.00 30.44 C ATOM 1424 CG1 ILE A 93 -4.103 9.293 8.731 1.00 33.35 C ATOM 1425 CG2 ILE A 93 -4.416 11.785 8.745 1.00 43.20 C ATOM 1426 CD1 ILE A 93 -5.579 8.972 8.752 1.00 62.03 C ATOM 0 H ILE A 93 -2.849 8.994 6.304 1.00 62.11 H new ATOM 0 HA ILE A 93 -5.292 10.469 6.524 1.00 72.21 H new ATOM 0 HB ILE A 93 -2.683 10.745 8.058 1.00 30.44 H new ATOM 0 HG12 ILE A 93 -3.572 8.480 8.236 1.00 33.35 H new ATOM 0 HG13 ILE A 93 -3.736 9.336 9.756 1.00 33.35 H new ATOM 0 HG21 ILE A 93 -4.093 11.800 9.786 1.00 43.20 H new ATOM 0 HG22 ILE A 93 -4.122 12.716 8.261 1.00 43.20 H new ATOM 0 HG23 ILE A 93 -5.500 11.681 8.703 1.00 43.20 H new ATOM 0 HD11 ILE A 93 -5.738 8.025 9.267 1.00 62.03 H new ATOM 0 HD12 ILE A 93 -6.116 9.764 9.274 1.00 62.03 H new ATOM 0 HD13 ILE A 93 -5.949 8.895 7.730 1.00 62.03 H new ATOM 1438 N ASP A 94 -4.668 12.409 5.057 1.00 61.22 N ATOM 1439 CA ASP A 94 -4.368 13.616 4.309 1.00 40.25 C ATOM 1440 C ASP A 94 -4.567 14.846 5.168 1.00 74.40 C ATOM 1441 O ASP A 94 -5.680 15.372 5.263 1.00 10.10 O ATOM 1442 CB ASP A 94 -5.250 13.739 3.064 1.00 55.15 C ATOM 1443 CG ASP A 94 -5.050 12.613 2.074 1.00 62.32 C ATOM 1444 OD1 ASP A 94 -4.060 12.642 1.320 1.00 32.50 O ATOM 1445 OD2 ASP A 94 -5.906 11.710 2.016 1.00 12.11 O ATOM 0 H ASP A 94 -5.609 12.044 4.911 1.00 61.22 H new ATOM 0 HA ASP A 94 -3.325 13.546 4.001 1.00 40.25 H new ATOM 0 HB2 ASP A 94 -6.296 13.763 3.370 1.00 55.15 H new ATOM 0 HB3 ASP A 94 -5.040 14.688 2.571 1.00 55.15 H new ATOM 1450 N LEU A 95 -3.501 15.295 5.811 1.00 62.25 N ATOM 1451 CA LEU A 95 -3.536 16.557 6.525 1.00 3.03 C ATOM 1452 C LEU A 95 -3.365 17.673 5.500 1.00 73.43 C ATOM 1453 O LEU A 95 -2.303 18.292 5.395 1.00 12.40 O ATOM 1454 CB LEU A 95 -2.439 16.619 7.599 1.00 50.43 C ATOM 1455 CG LEU A 95 -2.771 17.445 8.853 1.00 25.11 C ATOM 1456 CD1 LEU A 95 -3.076 18.895 8.504 1.00 51.42 C ATOM 1457 CD2 LEU A 95 -3.939 16.826 9.604 1.00 33.30 C ATOM 0 H LEU A 95 -2.607 14.806 5.852 1.00 62.25 H new ATOM 0 HA LEU A 95 -4.487 16.667 7.046 1.00 3.03 H new ATOM 0 HB2 LEU A 95 -2.204 15.601 7.910 1.00 50.43 H new ATOM 0 HB3 LEU A 95 -1.537 17.030 7.146 1.00 50.43 H new ATOM 0 HG LEU A 95 -1.891 17.435 9.497 1.00 25.11 H new ATOM 0 HD11 LEU A 95 -3.306 19.448 9.415 1.00 51.42 H new ATOM 0 HD12 LEU A 95 -2.209 19.342 8.017 1.00 51.42 H new ATOM 0 HD13 LEU A 95 -3.931 18.935 7.830 1.00 51.42 H new ATOM 0 HD21 LEU A 95 -4.160 17.423 10.489 1.00 33.30 H new ATOM 0 HD22 LEU A 95 -4.815 16.799 8.956 1.00 33.30 H new ATOM 0 HD23 LEU A 95 -3.680 15.811 9.907 1.00 33.30 H new ATOM 1469 N ASP A 96 -4.411 17.877 4.715 1.00 0.41 N ATOM 1470 CA ASP A 96 -4.363 18.792 3.587 1.00 50.22 C ATOM 1471 C ASP A 96 -5.229 20.014 3.855 1.00 5.41 C ATOM 1472 O ASP A 96 -6.435 19.889 4.079 1.00 31.15 O ATOM 1473 CB ASP A 96 -4.842 18.075 2.320 1.00 70.22 C ATOM 1474 CG ASP A 96 -4.559 18.859 1.056 1.00 52.30 C ATOM 1475 OD1 ASP A 96 -3.436 18.742 0.526 1.00 0.22 O ATOM 1476 OD2 ASP A 96 -5.459 19.577 0.572 1.00 40.31 O ATOM 0 H ASP A 96 -5.312 17.416 4.841 1.00 0.41 H new ATOM 0 HA ASP A 96 -3.334 19.123 3.446 1.00 50.22 H new ATOM 0 HB2 ASP A 96 -4.356 17.101 2.254 1.00 70.22 H new ATOM 0 HB3 ASP A 96 -5.914 17.892 2.396 1.00 70.22 H new ATOM 1481 N PRO A 97 -4.620 21.207 3.859 1.00 70.44 N ATOM 1482 CA PRO A 97 -5.342 22.460 4.070 1.00 23.24 C ATOM 1483 C PRO A 97 -6.141 22.876 2.834 1.00 33.12 C ATOM 1484 O PRO A 97 -5.571 23.544 1.947 1.00 39.63 O ATOM 1485 CB PRO A 97 -4.227 23.463 4.365 1.00 31.34 C ATOM 1486 CG PRO A 97 -3.028 22.920 3.663 1.00 35.01 C ATOM 1487 CD PRO A 97 -3.174 21.421 3.669 1.00 35.31 C ATOM 1488 OXT PRO A 97 -7.336 22.520 2.752 1.00 39.63 O ATOM 0 HA PRO A 97 -6.080 22.385 4.869 1.00 23.24 H new ATOM 0 HB2 PRO A 97 -4.483 24.457 3.999 1.00 31.34 H new ATOM 0 HB3 PRO A 97 -4.050 23.554 5.437 1.00 31.34 H new ATOM 0 HG2 PRO A 97 -2.970 23.300 2.643 1.00 35.01 H new ATOM 0 HG3 PRO A 97 -2.111 23.223 4.169 1.00 35.01 H new ATOM 0 HD2 PRO A 97 -2.824 20.982 2.735 1.00 35.31 H new ATOM 0 HD3 PRO A 97 -2.594 20.966 4.472 1.00 35.31 H new TER 1496 PRO A 97