USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 906 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 106 THR OG1 : rot 180:sc=-0.00803 USER MOD Set 1.2: A 108 SER OG : rot 180:sc= 0.692 USER MOD Set 1.3: A 111 HIS : no HD1:sc= -0.947 K(o=-0.26,f=-6.6!) USER MOD Set 2.1: A 11 CYS SG : rot -160:sc= -0.461 USER MOD Set 2.2: A 92 SER OG : rot 79:sc= 1.27 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0847 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=-0.0083) USER MOD Single : A 4 MET CE :methyl 163:sc= -0.116 (180deg=-0.532) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -0.893 K(o=-0.89,f=-1.7) USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= 1.21 (180deg=0.464) USER MOD Single : A 18 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.0052) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.51) USER MOD Single : A 21 SER OG : rot 147:sc= 1.21 USER MOD Single : A 25 SER OG : rot 180:sc= 0.677 USER MOD Single : A 26 SER OG : rot -160:sc= 0.984 USER MOD Single : A 29 GLN : amide:sc= 0.108 K(o=0.11,f=-0.73) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 47:sc= -0.12 USER MOD Single : A 36 LYS NZ :NH3+ 144:sc= 0.776 (180deg=0.455) USER MOD Single : A 44 ASN : amide:sc=-0.00451 K(o=-0.0045,f=-0.92) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 48 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.0849 (180deg=-0.378) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 85:sc= 1.04 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -65:sc= 1.18 USER MOD Single : A 63 GLN : amide:sc= 1.13 K(o=1.1,f=-0.014) USER MOD Single : A 65 SER OG : rot 22:sc= 1.76 USER MOD Single : A 67 SER OG : rot 180:sc= 0.191 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= -0.0387 (180deg=-0.205) USER MOD Single : A 80 SER OG : rot 82:sc= 1.2 USER MOD Single : A 83 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.2) USER MOD Single : A 84 MET CE :methyl 168:sc= -0.0481 (180deg=-0.316) USER MOD Single : A 85 GLN : amide:sc= 0.203 X(o=0.2,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -121:sc= 1.22 USER MOD Single : A 100 MET CE :methyl 147:sc= -0.421 (180deg=-2.82) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0217 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.831 30.438 -5.448 1.00 40.32 N ATOM 2 CA GLY A 1 9.766 31.017 -6.289 1.00 60.35 C ATOM 3 C GLY A 1 8.501 30.183 -6.250 1.00 12.32 C ATOM 4 O GLY A 1 8.392 29.252 -5.446 1.00 51.34 O ATOM 0 H1 GLY A 1 11.138 31.140 -4.745 1.00 40.32 H new ATOM 0 H2 GLY A 1 10.468 29.595 -4.959 1.00 40.32 H new ATOM 0 H3 GLY A 1 11.639 30.171 -6.046 1.00 40.32 H new ATOM 0 HA2 GLY A 1 9.545 32.029 -5.949 1.00 60.35 H new ATOM 0 HA3 GLY A 1 10.118 31.096 -7.318 1.00 60.35 H new ATOM 10 N SER A 2 7.549 30.509 -7.105 1.00 64.41 N ATOM 11 CA SER A 2 6.289 29.784 -7.167 1.00 33.24 C ATOM 12 C SER A 2 6.502 28.404 -7.787 1.00 24.12 C ATOM 13 O SER A 2 7.105 28.280 -8.853 1.00 14.01 O ATOM 14 CB SER A 2 5.285 30.577 -7.996 1.00 12.31 C ATOM 15 OG SER A 2 5.321 31.952 -7.645 1.00 53.42 O ATOM 0 H SER A 2 7.624 31.277 -7.772 1.00 64.41 H new ATOM 0 HA SER A 2 5.902 29.656 -6.156 1.00 33.24 H new ATOM 0 HB2 SER A 2 5.509 30.461 -9.056 1.00 12.31 H new ATOM 0 HB3 SER A 2 4.282 30.182 -7.837 1.00 12.31 H new ATOM 0 HG SER A 2 4.672 32.445 -8.188 1.00 53.42 H new ATOM 21 N HIS A 3 6.024 27.370 -7.116 1.00 74.21 N ATOM 22 CA HIS A 3 6.177 26.014 -7.613 1.00 21.21 C ATOM 23 C HIS A 3 4.848 25.307 -7.749 1.00 10.22 C ATOM 24 O HIS A 3 4.063 25.250 -6.804 1.00 35.44 O ATOM 25 CB HIS A 3 7.098 25.192 -6.708 1.00 21.11 C ATOM 26 CG HIS A 3 8.547 25.317 -7.044 1.00 63.32 C ATOM 27 ND1 HIS A 3 9.254 24.326 -7.685 1.00 4.52 N ATOM 28 CD2 HIS A 3 9.427 26.314 -6.818 1.00 72.22 C ATOM 29 CE1 HIS A 3 10.503 24.706 -7.837 1.00 3.35 C ATOM 30 NE2 HIS A 3 10.636 25.912 -7.320 1.00 30.23 N ATOM 0 H HIS A 3 5.528 27.443 -6.228 1.00 74.21 H new ATOM 0 HA HIS A 3 6.626 26.097 -8.603 1.00 21.21 H new ATOM 0 HB2 HIS A 3 6.947 25.503 -5.674 1.00 21.11 H new ATOM 0 HB3 HIS A 3 6.810 24.143 -6.771 1.00 21.11 H new ATOM 0 HD2 HIS A 3 9.217 27.255 -6.331 1.00 72.22 H new ATOM 0 HE1 HIS A 3 11.287 24.129 -8.305 1.00 3.35 H new ATOM 0 HE2 HIS A 3 11.498 26.456 -7.298 1.00 30.23 H new ATOM 39 N MET A 4 4.602 24.766 -8.927 1.00 21.14 N ATOM 40 CA MET A 4 3.411 23.978 -9.172 1.00 4.13 C ATOM 41 C MET A 4 3.712 22.538 -8.819 1.00 75.43 C ATOM 42 O MET A 4 3.881 21.685 -9.691 1.00 15.02 O ATOM 43 CB MET A 4 2.963 24.089 -10.631 1.00 62.14 C ATOM 44 CG MET A 4 2.447 25.464 -11.017 1.00 21.11 C ATOM 45 SD MET A 4 2.062 25.602 -12.777 1.00 32.34 S ATOM 46 CE MET A 4 0.838 24.306 -12.966 1.00 4.34 C ATOM 0 H MET A 4 5.217 24.860 -9.735 1.00 21.14 H new ATOM 0 HA MET A 4 2.595 24.354 -8.555 1.00 4.13 H new ATOM 0 HB2 MET A 4 3.802 23.832 -11.278 1.00 62.14 H new ATOM 0 HB3 MET A 4 2.180 23.353 -10.817 1.00 62.14 H new ATOM 0 HG2 MET A 4 1.552 25.687 -10.436 1.00 21.11 H new ATOM 0 HG3 MET A 4 3.193 26.214 -10.754 1.00 21.11 H new ATOM 0 HE1 MET A 4 0.290 24.456 -13.896 1.00 4.34 H new ATOM 0 HE2 MET A 4 1.335 23.336 -12.990 1.00 4.34 H new ATOM 0 HE3 MET A 4 0.143 24.337 -12.127 1.00 4.34 H new ATOM 56 N GLU A 5 3.825 22.289 -7.540 1.00 43.31 N ATOM 57 CA GLU A 5 4.188 20.990 -7.039 1.00 41.11 C ATOM 58 C GLU A 5 3.150 20.516 -6.034 1.00 2.40 C ATOM 59 O GLU A 5 2.655 21.314 -5.233 1.00 35.33 O ATOM 60 CB GLU A 5 5.570 21.084 -6.384 1.00 40.51 C ATOM 61 CG GLU A 5 6.145 19.764 -5.916 1.00 43.13 C ATOM 62 CD GLU A 5 7.555 19.915 -5.397 1.00 64.13 C ATOM 63 OE1 GLU A 5 7.723 20.202 -4.193 1.00 75.40 O ATOM 64 OE2 GLU A 5 8.499 19.756 -6.190 1.00 53.14 O ATOM 0 H GLU A 5 3.667 22.987 -6.813 1.00 43.31 H new ATOM 0 HA GLU A 5 4.224 20.270 -7.856 1.00 41.11 H new ATOM 0 HB2 GLU A 5 6.263 21.534 -7.095 1.00 40.51 H new ATOM 0 HB3 GLU A 5 5.506 21.759 -5.530 1.00 40.51 H new ATOM 0 HG2 GLU A 5 5.512 19.350 -5.131 1.00 43.13 H new ATOM 0 HG3 GLU A 5 6.136 19.052 -6.741 1.00 43.13 H new ATOM 71 N PRO A 6 2.771 19.227 -6.089 1.00 13.44 N ATOM 72 CA PRO A 6 1.801 18.647 -5.152 1.00 33.23 C ATOM 73 C PRO A 6 2.210 18.857 -3.692 1.00 44.04 C ATOM 74 O PRO A 6 3.135 18.211 -3.196 1.00 25.23 O ATOM 75 CB PRO A 6 1.823 17.153 -5.501 1.00 42.12 C ATOM 76 CG PRO A 6 2.271 17.102 -6.916 1.00 51.51 C ATOM 77 CD PRO A 6 3.237 18.238 -7.083 1.00 14.30 C ATOM 0 HA PRO A 6 0.817 19.108 -5.244 1.00 33.23 H new ATOM 0 HB2 PRO A 6 2.504 16.604 -4.850 1.00 42.12 H new ATOM 0 HB3 PRO A 6 0.837 16.704 -5.382 1.00 42.12 H new ATOM 0 HG2 PRO A 6 2.748 16.148 -7.141 1.00 51.51 H new ATOM 0 HG3 PRO A 6 1.426 17.204 -7.597 1.00 51.51 H new ATOM 0 HD2 PRO A 6 4.263 17.926 -6.889 1.00 14.30 H new ATOM 0 HD3 PRO A 6 3.212 18.642 -8.095 1.00 14.30 H new ATOM 85 N ALA A 7 1.531 19.779 -3.021 1.00 50.14 N ATOM 86 CA ALA A 7 1.808 20.069 -1.624 1.00 11.10 C ATOM 87 C ALA A 7 0.978 19.174 -0.727 1.00 72.13 C ATOM 88 O ALA A 7 1.487 18.584 0.231 1.00 54.34 O ATOM 89 CB ALA A 7 1.535 21.533 -1.316 1.00 32.42 C ATOM 0 H ALA A 7 0.782 20.340 -3.426 1.00 50.14 H new ATOM 0 HA ALA A 7 2.863 19.871 -1.433 1.00 11.10 H new ATOM 0 HB1 ALA A 7 1.748 21.730 -0.265 1.00 32.42 H new ATOM 0 HB2 ALA A 7 2.172 22.161 -1.939 1.00 32.42 H new ATOM 0 HB3 ALA A 7 0.489 21.759 -1.522 1.00 32.42 H new ATOM 95 N ARG A 8 -0.300 19.075 -1.035 1.00 44.45 N ATOM 96 CA ARG A 8 -1.198 18.217 -0.298 1.00 32.00 C ATOM 97 C ARG A 8 -1.622 17.073 -1.200 1.00 11.04 C ATOM 98 O ARG A 8 -2.343 17.272 -2.180 1.00 71.15 O ATOM 99 CB ARG A 8 -2.413 19.003 0.200 1.00 74.44 C ATOM 100 CG ARG A 8 -3.258 18.245 1.206 1.00 24.53 C ATOM 101 CD ARG A 8 -4.399 19.099 1.732 1.00 2.01 C ATOM 102 NE ARG A 8 -5.219 18.374 2.708 1.00 65.44 N ATOM 103 CZ ARG A 8 -6.265 18.897 3.346 1.00 32.02 C ATOM 104 NH1 ARG A 8 -6.614 20.160 3.133 1.00 72.21 N ATOM 105 NH2 ARG A 8 -6.963 18.152 4.198 1.00 61.10 N ATOM 0 H ARG A 8 -0.741 19.586 -1.800 1.00 44.45 H new ATOM 0 HA ARG A 8 -0.689 17.819 0.580 1.00 32.00 H new ATOM 0 HB2 ARG A 8 -2.072 19.934 0.653 1.00 74.44 H new ATOM 0 HB3 ARG A 8 -3.035 19.273 -0.654 1.00 74.44 H new ATOM 0 HG2 ARG A 8 -3.660 17.346 0.740 1.00 24.53 H new ATOM 0 HG3 ARG A 8 -2.632 17.921 2.037 1.00 24.53 H new ATOM 0 HD2 ARG A 8 -3.995 20.000 2.195 1.00 2.01 H new ATOM 0 HD3 ARG A 8 -5.025 19.421 0.900 1.00 2.01 H new ATOM 0 HE ARG A 8 -4.972 17.406 2.912 1.00 65.44 H new ATOM 0 HH11 ARG A 8 -6.081 20.733 2.479 1.00 72.21 H new ATOM 0 HH12 ARG A 8 -7.415 20.557 3.623 1.00 72.21 H new ATOM 0 HH21 ARG A 8 -6.697 17.181 4.363 1.00 61.10 H new ATOM 0 HH22 ARG A 8 -7.764 18.551 4.687 1.00 61.10 H new ATOM 119 N VAL A 9 -1.171 15.886 -0.878 1.00 13.33 N ATOM 120 CA VAL A 9 -1.397 14.733 -1.721 1.00 61.11 C ATOM 121 C VAL A 9 -2.372 13.756 -1.090 1.00 13.22 C ATOM 122 O VAL A 9 -2.604 13.781 0.108 1.00 55.31 O ATOM 123 CB VAL A 9 -0.070 14.005 -2.028 1.00 22.23 C ATOM 124 CG1 VAL A 9 0.888 14.940 -2.744 1.00 62.20 C ATOM 125 CG2 VAL A 9 0.566 13.471 -0.750 1.00 51.51 C ATOM 0 H VAL A 9 -0.640 15.690 -0.030 1.00 13.33 H new ATOM 0 HA VAL A 9 -1.830 15.102 -2.650 1.00 61.11 H new ATOM 0 HB VAL A 9 -0.287 13.158 -2.678 1.00 22.23 H new ATOM 0 HG11 VAL A 9 1.820 14.415 -2.955 1.00 62.20 H new ATOM 0 HG12 VAL A 9 0.440 15.273 -3.680 1.00 62.20 H new ATOM 0 HG13 VAL A 9 1.094 15.804 -2.112 1.00 62.20 H new ATOM 0 HG21 VAL A 9 1.499 12.963 -0.993 1.00 51.51 H new ATOM 0 HG22 VAL A 9 0.770 14.299 -0.072 1.00 51.51 H new ATOM 0 HG23 VAL A 9 -0.116 12.769 -0.270 1.00 51.51 H new ATOM 135 N ARG A 10 -2.934 12.906 -1.908 1.00 25.50 N ATOM 136 CA ARG A 10 -3.876 11.912 -1.454 1.00 41.11 C ATOM 137 C ARG A 10 -3.517 10.576 -2.055 1.00 12.52 C ATOM 138 O ARG A 10 -3.440 10.438 -3.282 1.00 24.40 O ATOM 139 CB ARG A 10 -5.284 12.310 -1.857 1.00 15.12 C ATOM 140 CG ARG A 10 -6.346 11.285 -1.520 1.00 71.25 C ATOM 141 CD ARG A 10 -7.691 11.709 -2.062 1.00 73.53 C ATOM 142 NE ARG A 10 -8.748 10.778 -1.700 1.00 74.15 N ATOM 143 CZ ARG A 10 -9.911 10.688 -2.340 1.00 74.52 C ATOM 144 NH1 ARG A 10 -10.119 11.382 -3.459 1.00 73.34 N ATOM 145 NH2 ARG A 10 -10.856 9.884 -1.877 1.00 3.44 N ATOM 0 H ARG A 10 -2.752 12.882 -2.911 1.00 25.50 H new ATOM 0 HA ARG A 10 -3.835 11.839 -0.367 1.00 41.11 H new ATOM 0 HB2 ARG A 10 -5.536 13.251 -1.368 1.00 15.12 H new ATOM 0 HB3 ARG A 10 -5.303 12.494 -2.931 1.00 15.12 H new ATOM 0 HG2 ARG A 10 -6.069 10.317 -1.938 1.00 71.25 H new ATOM 0 HG3 ARG A 10 -6.407 11.160 -0.439 1.00 71.25 H new ATOM 0 HD2 ARG A 10 -7.937 12.701 -1.683 1.00 73.53 H new ATOM 0 HD3 ARG A 10 -7.635 11.788 -3.148 1.00 73.53 H new ATOM 0 HE ARG A 10 -8.588 10.156 -0.907 1.00 74.15 H new ATOM 0 HH11 ARG A 10 -9.385 11.986 -3.829 1.00 73.34 H new ATOM 0 HH12 ARG A 10 -11.012 11.309 -3.946 1.00 73.34 H new ATOM 0 HH21 ARG A 10 -10.691 9.336 -1.032 1.00 3.44 H new ATOM 0 HH22 ARG A 10 -11.749 9.812 -2.365 1.00 3.44 H new ATOM 159 N CYS A 11 -3.289 9.603 -1.209 1.00 10.44 N ATOM 160 CA CYS A 11 -2.890 8.295 -1.666 1.00 2.30 C ATOM 161 C CYS A 11 -3.665 7.201 -0.954 1.00 15.14 C ATOM 162 O CYS A 11 -4.016 7.331 0.226 1.00 1.21 O ATOM 163 CB CYS A 11 -1.391 8.089 -1.438 1.00 72.34 C ATOM 164 SG CYS A 11 -0.333 9.358 -2.171 1.00 24.32 S ATOM 0 H CYS A 11 -3.373 9.692 -0.196 1.00 10.44 H new ATOM 0 HA CYS A 11 -3.109 8.236 -2.732 1.00 2.30 H new ATOM 0 HB2 CYS A 11 -1.202 8.053 -0.365 1.00 72.34 H new ATOM 0 HB3 CYS A 11 -1.106 7.119 -1.844 1.00 72.34 H new ATOM 0 HG CYS A 11 0.876 8.897 -2.295 1.00 24.32 H new ATOM 170 N SER A 12 -3.944 6.139 -1.674 1.00 64.44 N ATOM 171 CA SER A 12 -4.590 4.980 -1.112 1.00 32.22 C ATOM 172 C SER A 12 -3.522 3.931 -0.825 1.00 73.51 C ATOM 173 O SER A 12 -2.580 3.778 -1.607 1.00 12.41 O ATOM 174 CB SER A 12 -5.639 4.444 -2.083 1.00 65.10 C ATOM 175 OG SER A 12 -6.542 5.472 -2.462 1.00 32.24 O ATOM 0 H SER A 12 -3.728 6.056 -2.667 1.00 64.44 H new ATOM 0 HA SER A 12 -5.101 5.240 -0.185 1.00 32.22 H new ATOM 0 HB2 SER A 12 -5.149 4.038 -2.968 1.00 65.10 H new ATOM 0 HB3 SER A 12 -6.187 3.624 -1.618 1.00 65.10 H new ATOM 0 HG SER A 12 -7.206 5.111 -3.086 1.00 32.24 H new ATOM 181 N HIS A 13 -3.645 3.224 0.288 1.00 12.44 N ATOM 182 CA HIS A 13 -2.615 2.264 0.669 1.00 43.43 C ATOM 183 C HIS A 13 -3.166 0.869 0.910 1.00 74.13 C ATOM 184 O HIS A 13 -4.174 0.692 1.594 1.00 4.20 O ATOM 185 CB HIS A 13 -1.838 2.742 1.913 1.00 4.45 C ATOM 186 CG HIS A 13 -2.639 2.770 3.189 1.00 34.42 C ATOM 187 ND1 HIS A 13 -2.466 1.861 4.212 1.00 74.41 N ATOM 188 CD2 HIS A 13 -3.610 3.609 3.606 1.00 13.11 C ATOM 189 CE1 HIS A 13 -3.294 2.143 5.194 1.00 40.33 C ATOM 190 NE2 HIS A 13 -4.000 3.200 4.855 1.00 35.00 N ATOM 0 H HIS A 13 -4.431 3.292 0.934 1.00 12.44 H new ATOM 0 HA HIS A 13 -1.934 2.204 -0.180 1.00 43.43 H new ATOM 0 HB2 HIS A 13 -0.975 2.091 2.057 1.00 4.45 H new ATOM 0 HB3 HIS A 13 -1.453 3.744 1.721 1.00 4.45 H new ATOM 0 HD1 HIS A 13 -1.799 1.089 4.207 1.00 74.41 H new ATOM 0 HD2 HIS A 13 -4.007 4.449 3.056 1.00 13.11 H new ATOM 0 HE1 HIS A 13 -3.380 1.598 6.123 1.00 40.33 H new ATOM 199 N LEU A 14 -2.491 -0.107 0.342 1.00 4.12 N ATOM 200 CA LEU A 14 -2.809 -1.503 0.556 1.00 53.32 C ATOM 201 C LEU A 14 -1.653 -2.118 1.324 1.00 3.24 C ATOM 202 O LEU A 14 -0.502 -2.024 0.901 1.00 24.24 O ATOM 203 CB LEU A 14 -3.017 -2.222 -0.797 1.00 54.43 C ATOM 204 CG LEU A 14 -3.687 -3.613 -0.761 1.00 42.34 C ATOM 205 CD1 LEU A 14 -4.168 -4.000 -2.151 1.00 20.33 C ATOM 206 CD2 LEU A 14 -2.732 -4.677 -0.232 1.00 51.52 C ATOM 0 H LEU A 14 -1.701 0.046 -0.285 1.00 4.12 H new ATOM 0 HA LEU A 14 -3.735 -1.606 1.121 1.00 53.32 H new ATOM 0 HB2 LEU A 14 -3.618 -1.574 -1.435 1.00 54.43 H new ATOM 0 HB3 LEU A 14 -2.044 -2.328 -1.276 1.00 54.43 H new ATOM 0 HG LEU A 14 -4.540 -3.554 -0.085 1.00 42.34 H new ATOM 0 HD11 LEU A 14 -4.639 -4.982 -2.113 1.00 20.33 H new ATOM 0 HD12 LEU A 14 -4.891 -3.265 -2.504 1.00 20.33 H new ATOM 0 HD13 LEU A 14 -3.319 -4.031 -2.834 1.00 20.33 H new ATOM 0 HD21 LEU A 14 -3.235 -5.644 -0.220 1.00 51.52 H new ATOM 0 HD22 LEU A 14 -1.855 -4.732 -0.877 1.00 51.52 H new ATOM 0 HD23 LEU A 14 -2.422 -4.417 0.780 1.00 51.52 H new ATOM 218 N LEU A 15 -1.943 -2.709 2.457 1.00 1.12 N ATOM 219 CA LEU A 15 -0.902 -3.281 3.289 1.00 21.24 C ATOM 220 C LEU A 15 -0.931 -4.794 3.283 1.00 11.23 C ATOM 221 O LEU A 15 -1.977 -5.409 3.528 1.00 11.23 O ATOM 222 CB LEU A 15 -1.022 -2.772 4.726 1.00 3.10 C ATOM 223 CG LEU A 15 -0.143 -3.490 5.762 1.00 51.43 C ATOM 224 CD1 LEU A 15 1.332 -3.320 5.441 1.00 40.25 C ATOM 225 CD2 LEU A 15 -0.444 -2.986 7.160 1.00 1.41 C ATOM 0 H LEU A 15 -2.888 -2.809 2.828 1.00 1.12 H new ATOM 0 HA LEU A 15 0.051 -2.963 2.866 1.00 21.24 H new ATOM 0 HB2 LEU A 15 -0.773 -1.711 4.738 1.00 3.10 H new ATOM 0 HB3 LEU A 15 -2.063 -2.859 5.037 1.00 3.10 H new ATOM 0 HG LEU A 15 -0.377 -4.554 5.719 1.00 51.43 H new ATOM 0 HD11 LEU A 15 1.930 -3.838 6.191 1.00 40.25 H new ATOM 0 HD12 LEU A 15 1.541 -3.739 4.457 1.00 40.25 H new ATOM 0 HD13 LEU A 15 1.585 -2.260 5.445 1.00 40.25 H new ATOM 0 HD21 LEU A 15 0.189 -3.507 7.879 1.00 1.41 H new ATOM 0 HD22 LEU A 15 -0.246 -1.915 7.211 1.00 1.41 H new ATOM 0 HD23 LEU A 15 -1.491 -3.173 7.396 1.00 1.41 H new ATOM 237 N VAL A 16 0.212 -5.378 2.997 1.00 52.23 N ATOM 238 CA VAL A 16 0.390 -6.806 3.070 1.00 23.42 C ATOM 239 C VAL A 16 1.461 -7.121 4.121 1.00 12.13 C ATOM 240 O VAL A 16 2.633 -6.735 3.982 1.00 34.44 O ATOM 241 CB VAL A 16 0.762 -7.429 1.689 1.00 43.23 C ATOM 242 CG1 VAL A 16 1.979 -6.752 1.085 1.00 44.01 C ATOM 243 CG2 VAL A 16 0.989 -8.928 1.811 1.00 52.35 C ATOM 0 H VAL A 16 1.047 -4.870 2.706 1.00 52.23 H new ATOM 0 HA VAL A 16 -0.559 -7.256 3.362 1.00 23.42 H new ATOM 0 HB VAL A 16 -0.081 -7.263 1.018 1.00 43.23 H new ATOM 0 HG11 VAL A 16 2.211 -7.210 0.124 1.00 44.01 H new ATOM 0 HG12 VAL A 16 1.771 -5.692 0.941 1.00 44.01 H new ATOM 0 HG13 VAL A 16 2.830 -6.867 1.756 1.00 44.01 H new ATOM 0 HG21 VAL A 16 1.247 -9.338 0.834 1.00 52.35 H new ATOM 0 HG22 VAL A 16 1.803 -9.117 2.510 1.00 52.35 H new ATOM 0 HG23 VAL A 16 0.079 -9.405 2.176 1.00 52.35 H new ATOM 253 N LYS A 17 1.048 -7.766 5.191 1.00 11.13 N ATOM 254 CA LYS A 17 1.957 -8.082 6.277 1.00 34.21 C ATOM 255 C LYS A 17 2.704 -9.379 6.008 1.00 53.41 C ATOM 256 O LYS A 17 2.447 -10.062 5.014 1.00 1.24 O ATOM 257 CB LYS A 17 1.201 -8.156 7.608 1.00 63.40 C ATOM 258 CG LYS A 17 0.502 -6.858 7.979 1.00 30.24 C ATOM 259 CD LYS A 17 -0.166 -6.943 9.344 1.00 0.51 C ATOM 260 CE LYS A 17 -0.994 -5.697 9.623 1.00 22.14 C ATOM 261 NZ LYS A 17 -1.514 -5.660 11.010 1.00 13.42 N ATOM 0 H LYS A 17 0.089 -8.083 5.334 1.00 11.13 H new ATOM 0 HA LYS A 17 2.693 -7.281 6.344 1.00 34.21 H new ATOM 0 HB2 LYS A 17 0.462 -8.955 7.553 1.00 63.40 H new ATOM 0 HB3 LYS A 17 1.901 -8.422 8.400 1.00 63.40 H new ATOM 0 HG2 LYS A 17 1.226 -6.043 7.979 1.00 30.24 H new ATOM 0 HG3 LYS A 17 -0.246 -6.620 7.223 1.00 30.24 H new ATOM 0 HD2 LYS A 17 -0.804 -7.825 9.386 1.00 0.51 H new ATOM 0 HD3 LYS A 17 0.593 -7.061 10.118 1.00 0.51 H new ATOM 0 HE2 LYS A 17 -0.384 -4.812 9.443 1.00 22.14 H new ATOM 0 HE3 LYS A 17 -1.829 -5.656 8.924 1.00 22.14 H new ATOM 0 HZ1 LYS A 17 -2.425 -5.159 11.026 1.00 13.42 H new ATOM 0 HZ2 LYS A 17 -1.647 -6.631 11.357 1.00 13.42 H new ATOM 0 HZ3 LYS A 17 -0.835 -5.164 11.622 1.00 13.42 H new ATOM 275 N HIS A 18 3.625 -9.714 6.894 1.00 12.53 N ATOM 276 CA HIS A 18 4.429 -10.917 6.748 1.00 41.23 C ATOM 277 C HIS A 18 4.729 -11.534 8.111 1.00 51.31 C ATOM 278 O HIS A 18 4.536 -10.890 9.140 1.00 11.51 O ATOM 279 CB HIS A 18 5.731 -10.630 5.962 1.00 31.32 C ATOM 280 CG HIS A 18 6.637 -9.601 6.584 1.00 73.13 C ATOM 281 ND1 HIS A 18 7.916 -9.882 7.003 1.00 11.53 N ATOM 282 CD2 HIS A 18 6.448 -8.284 6.834 1.00 23.42 C ATOM 283 CE1 HIS A 18 8.471 -8.787 7.483 1.00 64.21 C ATOM 284 NE2 HIS A 18 7.604 -7.804 7.390 1.00 61.45 N ATOM 0 H HIS A 18 3.836 -9.166 7.728 1.00 12.53 H new ATOM 0 HA HIS A 18 3.853 -11.640 6.171 1.00 41.23 H new ATOM 0 HB2 HIS A 18 6.285 -11.562 5.854 1.00 31.32 H new ATOM 0 HB3 HIS A 18 5.466 -10.299 4.958 1.00 31.32 H new ATOM 0 HD2 HIS A 18 5.551 -7.717 6.632 1.00 23.42 H new ATOM 0 HE1 HIS A 18 9.470 -8.711 7.885 1.00 64.21 H new ATOM 0 HE2 HIS A 18 7.766 -6.841 7.684 1.00 61.45 H new ATOM 293 N SER A 19 5.192 -12.775 8.097 1.00 10.15 N ATOM 294 CA SER A 19 5.482 -13.536 9.312 1.00 13.32 C ATOM 295 C SER A 19 6.452 -12.796 10.245 1.00 71.32 C ATOM 296 O SER A 19 6.165 -12.602 11.427 1.00 55.11 O ATOM 297 CB SER A 19 6.048 -14.916 8.937 1.00 23.42 C ATOM 298 OG SER A 19 6.268 -15.723 10.084 1.00 3.33 O ATOM 0 H SER A 19 5.380 -13.290 7.237 1.00 10.15 H new ATOM 0 HA SER A 19 4.546 -13.658 9.857 1.00 13.32 H new ATOM 0 HB2 SER A 19 5.356 -15.422 8.263 1.00 23.42 H new ATOM 0 HB3 SER A 19 6.986 -14.790 8.396 1.00 23.42 H new ATOM 0 HG SER A 19 6.626 -16.593 9.808 1.00 3.33 H new ATOM 304 N GLN A 20 7.582 -12.369 9.703 1.00 22.13 N ATOM 305 CA GLN A 20 8.610 -11.688 10.489 1.00 11.14 C ATOM 306 C GLN A 20 8.328 -10.190 10.637 1.00 11.43 C ATOM 307 O GLN A 20 9.247 -9.373 10.616 1.00 23.32 O ATOM 308 CB GLN A 20 9.987 -11.910 9.860 1.00 52.23 C ATOM 309 CG GLN A 20 10.521 -13.321 10.035 1.00 43.44 C ATOM 310 CD GLN A 20 10.649 -13.713 11.496 1.00 52.41 C ATOM 311 OE1 GLN A 20 9.721 -14.271 12.088 1.00 1.52 O ATOM 312 NE2 GLN A 20 11.786 -13.410 12.091 1.00 1.55 N ATOM 0 H GLN A 20 7.815 -12.481 8.716 1.00 22.13 H new ATOM 0 HA GLN A 20 8.595 -12.120 11.490 1.00 11.14 H new ATOM 0 HB2 GLN A 20 9.931 -11.682 8.796 1.00 52.23 H new ATOM 0 HB3 GLN A 20 10.694 -11.207 10.299 1.00 52.23 H new ATOM 0 HG2 GLN A 20 9.858 -14.023 9.530 1.00 43.44 H new ATOM 0 HG3 GLN A 20 11.496 -13.400 9.553 1.00 43.44 H new ATOM 0 HE21 GLN A 20 12.529 -12.949 11.566 1.00 1.55 H new ATOM 0 HE22 GLN A 20 11.922 -13.637 13.076 1.00 1.55 H new ATOM 321 N SER A 21 7.069 -9.839 10.802 1.00 73.35 N ATOM 322 CA SER A 21 6.681 -8.450 10.979 1.00 21.25 C ATOM 323 C SER A 21 6.652 -8.103 12.461 1.00 41.04 C ATOM 324 O SER A 21 6.614 -8.992 13.309 1.00 13.35 O ATOM 325 CB SER A 21 5.299 -8.208 10.360 1.00 73.41 C ATOM 326 OG SER A 21 4.893 -6.858 10.504 1.00 63.41 O ATOM 0 H SER A 21 6.291 -10.499 10.818 1.00 73.35 H new ATOM 0 HA SER A 21 7.411 -7.813 10.479 1.00 21.25 H new ATOM 0 HB2 SER A 21 5.322 -8.471 9.302 1.00 73.41 H new ATOM 0 HB3 SER A 21 4.567 -8.861 10.835 1.00 73.41 H new ATOM 0 HG SER A 21 4.358 -6.593 9.727 1.00 63.41 H new ATOM 332 N ARG A 22 6.667 -6.811 12.774 1.00 35.13 N ATOM 333 CA ARG A 22 6.590 -6.370 14.159 1.00 22.23 C ATOM 334 C ARG A 22 5.171 -6.546 14.697 1.00 4.13 C ATOM 335 O ARG A 22 4.929 -6.454 15.899 1.00 72.54 O ATOM 336 CB ARG A 22 7.092 -4.912 14.319 1.00 40.41 C ATOM 337 CG ARG A 22 6.480 -3.884 13.353 1.00 74.42 C ATOM 338 CD ARG A 22 5.039 -3.530 13.705 1.00 62.24 C ATOM 339 NE ARG A 22 4.912 -3.034 15.079 1.00 30.33 N ATOM 340 CZ ARG A 22 3.784 -2.559 15.613 1.00 71.40 C ATOM 341 NH1 ARG A 22 2.680 -2.462 14.875 1.00 42.32 N ATOM 342 NH2 ARG A 22 3.764 -2.170 16.882 1.00 43.33 N ATOM 0 H ARG A 22 6.731 -6.056 12.091 1.00 35.13 H new ATOM 0 HA ARG A 22 7.253 -6.997 14.755 1.00 22.23 H new ATOM 0 HB2 ARG A 22 6.890 -4.588 15.340 1.00 40.41 H new ATOM 0 HB3 ARG A 22 8.174 -4.904 14.190 1.00 40.41 H new ATOM 0 HG2 ARG A 22 7.085 -2.977 13.363 1.00 74.42 H new ATOM 0 HG3 ARG A 22 6.515 -4.280 12.338 1.00 74.42 H new ATOM 0 HD2 ARG A 22 4.673 -2.773 13.012 1.00 62.24 H new ATOM 0 HD3 ARG A 22 4.409 -4.410 13.578 1.00 62.24 H new ATOM 0 HE ARG A 22 5.744 -3.053 15.669 1.00 30.33 H new ATOM 0 HH11 ARG A 22 2.693 -2.751 13.897 1.00 42.32 H new ATOM 0 HH12 ARG A 22 1.821 -2.099 15.288 1.00 42.32 H new ATOM 0 HH21 ARG A 22 4.610 -2.234 17.448 1.00 43.33 H new ATOM 0 HH22 ARG A 22 2.903 -1.807 17.291 1.00 43.33 H new ATOM 356 N ARG A 23 4.243 -6.800 13.786 1.00 72.44 N ATOM 357 CA ARG A 23 2.855 -7.046 14.127 1.00 45.21 C ATOM 358 C ARG A 23 2.247 -7.992 13.092 1.00 63.53 C ATOM 359 O ARG A 23 1.623 -7.550 12.126 1.00 2.54 O ATOM 360 CB ARG A 23 2.066 -5.729 14.175 1.00 63.11 C ATOM 361 CG ARG A 23 0.635 -5.848 14.706 1.00 64.24 C ATOM 362 CD ARG A 23 0.598 -6.092 16.213 1.00 52.52 C ATOM 363 NE ARG A 23 0.976 -7.461 16.574 1.00 35.44 N ATOM 364 CZ ARG A 23 1.866 -7.773 17.523 1.00 13.32 C ATOM 365 NH1 ARG A 23 2.505 -6.811 18.185 1.00 21.55 N ATOM 366 NH2 ARG A 23 2.118 -9.045 17.809 1.00 70.12 N ATOM 0 H ARG A 23 4.436 -6.841 12.785 1.00 72.44 H new ATOM 0 HA ARG A 23 2.804 -7.504 15.115 1.00 45.21 H new ATOM 0 HB2 ARG A 23 2.611 -5.020 14.798 1.00 63.11 H new ATOM 0 HB3 ARG A 23 2.030 -5.308 13.170 1.00 63.11 H new ATOM 0 HG2 ARG A 23 0.086 -4.936 14.474 1.00 64.24 H new ATOM 0 HG3 ARG A 23 0.126 -6.665 14.195 1.00 64.24 H new ATOM 0 HD2 ARG A 23 1.271 -5.391 16.707 1.00 52.52 H new ATOM 0 HD3 ARG A 23 -0.405 -5.886 16.586 1.00 52.52 H new ATOM 0 HE ARG A 23 0.531 -8.227 16.068 1.00 35.44 H new ATOM 0 HH11 ARG A 23 2.317 -5.832 17.969 1.00 21.55 H new ATOM 0 HH12 ARG A 23 3.183 -7.053 18.908 1.00 21.55 H new ATOM 0 HH21 ARG A 23 1.633 -9.787 17.305 1.00 70.12 H new ATOM 0 HH22 ARG A 23 2.797 -9.280 18.533 1.00 70.12 H new ATOM 380 N PRO A 24 2.454 -9.308 13.264 1.00 32.13 N ATOM 381 CA PRO A 24 1.962 -10.329 12.337 1.00 20.04 C ATOM 382 C PRO A 24 0.493 -10.680 12.576 1.00 34.14 C ATOM 383 O PRO A 24 0.048 -11.773 12.242 1.00 22.52 O ATOM 384 CB PRO A 24 2.854 -11.554 12.636 1.00 51.33 C ATOM 385 CG PRO A 24 3.803 -11.122 13.722 1.00 53.14 C ATOM 386 CD PRO A 24 3.194 -9.915 14.367 1.00 11.31 C ATOM 0 HA PRO A 24 2.012 -9.987 11.303 1.00 20.04 H new ATOM 0 HB2 PRO A 24 2.253 -12.404 12.958 1.00 51.33 H new ATOM 0 HB3 PRO A 24 3.398 -11.867 11.745 1.00 51.33 H new ATOM 0 HG2 PRO A 24 3.947 -11.920 14.451 1.00 53.14 H new ATOM 0 HG3 PRO A 24 4.784 -10.887 13.309 1.00 53.14 H new ATOM 0 HD2 PRO A 24 2.539 -10.184 15.196 1.00 11.31 H new ATOM 0 HD3 PRO A 24 3.953 -9.242 14.766 1.00 11.31 H new ATOM 394 N SER A 25 -0.248 -9.752 13.138 1.00 15.14 N ATOM 395 CA SER A 25 -1.648 -9.963 13.414 1.00 61.35 C ATOM 396 C SER A 25 -2.498 -8.895 12.733 1.00 31.51 C ATOM 397 O SER A 25 -2.122 -7.716 12.695 1.00 54.02 O ATOM 398 CB SER A 25 -1.879 -9.963 14.925 1.00 14.33 C ATOM 399 OG SER A 25 -1.197 -8.880 15.548 1.00 65.02 O ATOM 0 H SER A 25 0.102 -8.835 13.415 1.00 15.14 H new ATOM 0 HA SER A 25 -1.948 -10.931 13.013 1.00 61.35 H new ATOM 0 HB2 SER A 25 -2.947 -9.892 15.133 1.00 14.33 H new ATOM 0 HB3 SER A 25 -1.534 -10.906 15.349 1.00 14.33 H new ATOM 0 HG SER A 25 -1.362 -8.902 16.514 1.00 65.02 H new ATOM 405 N SER A 26 -3.617 -9.306 12.172 1.00 55.33 N ATOM 406 CA SER A 26 -4.518 -8.386 11.512 1.00 72.53 C ATOM 407 C SER A 26 -5.960 -8.689 11.900 1.00 45.23 C ATOM 408 O SER A 26 -6.216 -9.437 12.849 1.00 75.32 O ATOM 409 CB SER A 26 -4.358 -8.498 9.999 1.00 71.24 C ATOM 410 OG SER A 26 -4.866 -9.737 9.519 1.00 44.21 O ATOM 0 H SER A 26 -3.925 -10.278 12.161 1.00 55.33 H new ATOM 0 HA SER A 26 -4.273 -7.371 11.826 1.00 72.53 H new ATOM 0 HB2 SER A 26 -4.881 -7.675 9.513 1.00 71.24 H new ATOM 0 HB3 SER A 26 -3.305 -8.407 9.734 1.00 71.24 H new ATOM 0 HG SER A 26 -4.482 -9.929 8.638 1.00 44.21 H new ATOM 415 N TRP A 27 -6.898 -8.103 11.172 1.00 1.11 N ATOM 416 CA TRP A 27 -8.309 -8.332 11.412 1.00 70.43 C ATOM 417 C TRP A 27 -8.768 -9.602 10.710 1.00 63.34 C ATOM 418 O TRP A 27 -9.795 -10.181 11.065 1.00 33.32 O ATOM 419 CB TRP A 27 -9.139 -7.130 10.931 1.00 71.34 C ATOM 420 CG TRP A 27 -8.942 -6.790 9.477 1.00 50.14 C ATOM 421 CD1 TRP A 27 -8.015 -5.935 8.957 1.00 63.14 C ATOM 422 CD2 TRP A 27 -9.693 -7.292 8.360 1.00 32.43 C ATOM 423 NE1 TRP A 27 -8.141 -5.878 7.591 1.00 32.02 N ATOM 424 CE2 TRP A 27 -9.161 -6.699 7.199 1.00 62.33 C ATOM 425 CE3 TRP A 27 -10.763 -8.185 8.229 1.00 24.14 C ATOM 426 CZ2 TRP A 27 -9.658 -6.970 5.928 1.00 41.12 C ATOM 427 CZ3 TRP A 27 -11.254 -8.451 6.966 1.00 23.41 C ATOM 428 CH2 TRP A 27 -10.702 -7.847 5.832 1.00 74.23 C ATOM 0 H TRP A 27 -6.702 -7.460 10.404 1.00 1.11 H new ATOM 0 HA TRP A 27 -8.460 -8.452 12.485 1.00 70.43 H new ATOM 0 HB2 TRP A 27 -10.195 -7.338 11.105 1.00 71.34 H new ATOM 0 HB3 TRP A 27 -8.882 -6.260 11.535 1.00 71.34 H new ATOM 0 HD1 TRP A 27 -7.288 -5.384 9.535 1.00 63.14 H new ATOM 0 HE1 TRP A 27 -7.565 -5.313 6.968 1.00 32.02 H new ATOM 0 HE3 TRP A 27 -11.196 -8.657 9.099 1.00 24.14 H new ATOM 0 HZ2 TRP A 27 -9.235 -6.505 5.050 1.00 41.12 H new ATOM 0 HZ3 TRP A 27 -12.079 -9.138 6.852 1.00 23.41 H new ATOM 0 HH2 TRP A 27 -11.110 -8.079 4.859 1.00 74.23 H new ATOM 439 N ARG A 28 -7.993 -10.034 9.727 1.00 50.41 N ATOM 440 CA ARG A 28 -8.334 -11.205 8.933 1.00 0.15 C ATOM 441 C ARG A 28 -7.513 -12.414 9.364 1.00 4.22 C ATOM 442 O ARG A 28 -8.042 -13.520 9.516 1.00 15.22 O ATOM 443 CB ARG A 28 -8.114 -10.914 7.433 1.00 42.20 C ATOM 444 CG ARG A 28 -6.717 -10.393 7.103 1.00 12.12 C ATOM 445 CD ARG A 28 -6.552 -10.080 5.626 1.00 1.35 C ATOM 446 NE ARG A 28 -6.660 -11.273 4.784 1.00 30.30 N ATOM 447 CZ ARG A 28 -5.875 -11.522 3.730 1.00 21.41 C ATOM 448 NH1 ARG A 28 -4.847 -10.725 3.455 1.00 22.44 N ATOM 449 NH2 ARG A 28 -6.096 -12.592 2.984 1.00 43.20 N ATOM 0 H ARG A 28 -7.116 -9.587 9.458 1.00 50.41 H new ATOM 0 HA ARG A 28 -9.387 -11.435 9.098 1.00 0.15 H new ATOM 0 HB2 ARG A 28 -8.294 -11.827 6.865 1.00 42.20 H new ATOM 0 HB3 ARG A 28 -8.851 -10.182 7.103 1.00 42.20 H new ATOM 0 HG2 ARG A 28 -6.520 -9.494 7.687 1.00 12.12 H new ATOM 0 HG3 ARG A 28 -5.976 -11.135 7.400 1.00 12.12 H new ATOM 0 HD2 ARG A 28 -7.310 -9.357 5.324 1.00 1.35 H new ATOM 0 HD3 ARG A 28 -5.581 -9.611 5.464 1.00 1.35 H new ATOM 0 HE ARG A 28 -7.380 -11.958 5.016 1.00 30.30 H new ATOM 0 HH11 ARG A 28 -4.654 -9.919 4.049 1.00 22.44 H new ATOM 0 HH12 ARG A 28 -4.252 -10.920 2.650 1.00 22.44 H new ATOM 0 HH21 ARG A 28 -6.863 -13.224 3.213 1.00 43.20 H new ATOM 0 HH22 ARG A 28 -5.499 -12.785 2.180 1.00 43.20 H new ATOM 463 N GLN A 29 -6.235 -12.199 9.581 1.00 60.03 N ATOM 464 CA GLN A 29 -5.334 -13.261 9.948 1.00 13.33 C ATOM 465 C GLN A 29 -4.640 -12.903 11.255 1.00 24.23 C ATOM 466 O GLN A 29 -3.893 -11.931 11.324 1.00 72.21 O ATOM 467 CB GLN A 29 -4.310 -13.460 8.825 1.00 34.51 C ATOM 468 CG GLN A 29 -3.427 -14.686 8.969 1.00 50.44 C ATOM 469 CD GLN A 29 -4.199 -15.987 8.869 1.00 10.43 C ATOM 470 OE1 GLN A 29 -5.235 -16.064 8.204 1.00 61.54 O ATOM 471 NE2 GLN A 29 -3.690 -17.021 9.508 1.00 54.14 N ATOM 0 H GLN A 29 -5.794 -11.282 9.507 1.00 60.03 H new ATOM 0 HA GLN A 29 -5.884 -14.191 10.090 1.00 13.33 H new ATOM 0 HB2 GLN A 29 -4.842 -13.524 7.876 1.00 34.51 H new ATOM 0 HB3 GLN A 29 -3.673 -12.577 8.774 1.00 34.51 H new ATOM 0 HG2 GLN A 29 -2.658 -14.666 8.197 1.00 50.44 H new ATOM 0 HG3 GLN A 29 -2.914 -14.647 9.930 1.00 50.44 H new ATOM 0 HE21 GLN A 29 -2.831 -16.915 10.047 1.00 54.14 H new ATOM 0 HE22 GLN A 29 -4.155 -17.928 9.463 1.00 54.14 H new ATOM 480 N GLU A 30 -4.900 -13.682 12.291 1.00 52.04 N ATOM 481 CA GLU A 30 -4.324 -13.421 13.598 1.00 62.21 C ATOM 482 C GLU A 30 -2.815 -13.652 13.576 1.00 61.53 C ATOM 483 O GLU A 30 -2.067 -13.000 14.301 1.00 62.31 O ATOM 484 CB GLU A 30 -4.994 -14.289 14.660 1.00 33.45 C ATOM 485 CG GLU A 30 -4.572 -13.958 16.079 1.00 62.12 C ATOM 486 CD GLU A 30 -5.311 -14.774 17.102 1.00 55.32 C ATOM 487 OE1 GLU A 30 -4.978 -15.964 17.274 1.00 1.32 O ATOM 488 OE2 GLU A 30 -6.231 -14.235 17.747 1.00 74.04 O ATOM 0 H GLU A 30 -5.507 -14.501 12.252 1.00 52.04 H new ATOM 0 HA GLU A 30 -4.501 -12.376 13.852 1.00 62.21 H new ATOM 0 HB2 GLU A 30 -6.075 -14.178 14.577 1.00 33.45 H new ATOM 0 HB3 GLU A 30 -4.765 -15.335 14.458 1.00 33.45 H new ATOM 0 HG2 GLU A 30 -3.501 -14.130 16.186 1.00 62.12 H new ATOM 0 HG3 GLU A 30 -4.745 -12.899 16.269 1.00 62.12 H new ATOM 495 N LYS A 31 -2.378 -14.578 12.745 1.00 2.53 N ATOM 496 CA LYS A 31 -0.964 -14.832 12.588 1.00 15.31 C ATOM 497 C LYS A 31 -0.592 -14.961 11.116 1.00 75.21 C ATOM 498 O LYS A 31 -0.921 -15.952 10.456 1.00 54.31 O ATOM 499 CB LYS A 31 -0.512 -16.073 13.378 1.00 71.54 C ATOM 500 CG LYS A 31 -1.242 -17.361 13.020 1.00 14.44 C ATOM 501 CD LYS A 31 -0.566 -18.577 13.641 1.00 51.33 C ATOM 502 CE LYS A 31 0.861 -18.740 13.125 1.00 53.21 C ATOM 503 NZ LYS A 31 1.490 -19.989 13.607 1.00 40.31 N ATOM 0 H LYS A 31 -2.983 -15.165 12.170 1.00 2.53 H new ATOM 0 HA LYS A 31 -0.435 -13.973 13.001 1.00 15.31 H new ATOM 0 HB2 LYS A 31 0.556 -16.220 13.216 1.00 71.54 H new ATOM 0 HB3 LYS A 31 -0.649 -15.878 14.442 1.00 71.54 H new ATOM 0 HG2 LYS A 31 -2.275 -17.303 13.363 1.00 14.44 H new ATOM 0 HG3 LYS A 31 -1.272 -17.474 11.936 1.00 14.44 H new ATOM 0 HD2 LYS A 31 -0.553 -18.475 14.726 1.00 51.33 H new ATOM 0 HD3 LYS A 31 -1.143 -19.473 13.412 1.00 51.33 H new ATOM 0 HE2 LYS A 31 0.854 -18.736 12.035 1.00 53.21 H new ATOM 0 HE3 LYS A 31 1.460 -17.887 13.443 1.00 53.21 H new ATOM 0 HZ1 LYS A 31 2.458 -20.058 13.232 1.00 40.31 H new ATOM 0 HZ2 LYS A 31 1.521 -19.983 14.647 1.00 40.31 H new ATOM 0 HZ3 LYS A 31 0.934 -20.806 13.282 1.00 40.31 H new ATOM 517 N ILE A 32 0.055 -13.938 10.600 1.00 2.33 N ATOM 518 CA ILE A 32 0.511 -13.937 9.225 1.00 72.10 C ATOM 519 C ILE A 32 1.680 -14.899 9.083 1.00 50.50 C ATOM 520 O ILE A 32 2.684 -14.766 9.778 1.00 64.51 O ATOM 521 CB ILE A 32 0.968 -12.526 8.778 1.00 23.53 C ATOM 522 CG1 ILE A 32 -0.144 -11.489 9.002 1.00 42.22 C ATOM 523 CG2 ILE A 32 1.388 -12.543 7.317 1.00 52.32 C ATOM 524 CD1 ILE A 32 -1.351 -11.672 8.108 1.00 62.20 C ATOM 0 H ILE A 32 0.279 -13.088 11.117 1.00 2.33 H new ATOM 0 HA ILE A 32 -0.322 -14.246 8.594 1.00 72.10 H new ATOM 0 HB ILE A 32 1.826 -12.240 9.387 1.00 23.53 H new ATOM 0 HG12 ILE A 32 -0.466 -11.537 10.042 1.00 42.22 H new ATOM 0 HG13 ILE A 32 0.266 -10.492 8.840 1.00 42.22 H new ATOM 0 HG21 ILE A 32 1.706 -11.544 7.018 1.00 52.32 H new ATOM 0 HG22 ILE A 32 2.214 -13.242 7.184 1.00 52.32 H new ATOM 0 HG23 ILE A 32 0.545 -12.855 6.700 1.00 52.32 H new ATOM 0 HD11 ILE A 32 -2.088 -10.900 8.330 1.00 62.20 H new ATOM 0 HD12 ILE A 32 -1.046 -11.594 7.064 1.00 62.20 H new ATOM 0 HD13 ILE A 32 -1.789 -12.654 8.285 1.00 62.20 H new ATOM 536 N THR A 33 1.545 -15.871 8.207 1.00 52.44 N ATOM 537 CA THR A 33 2.592 -16.848 8.009 1.00 60.01 C ATOM 538 C THR A 33 3.352 -16.594 6.715 1.00 43.41 C ATOM 539 O THR A 33 4.466 -17.089 6.533 1.00 35.33 O ATOM 540 CB THR A 33 2.028 -18.280 8.003 1.00 44.41 C ATOM 541 OG1 THR A 33 0.955 -18.373 7.058 1.00 62.32 O ATOM 542 CG2 THR A 33 1.520 -18.664 9.384 1.00 73.31 C ATOM 0 H THR A 33 0.721 -16.005 7.621 1.00 52.44 H new ATOM 0 HA THR A 33 3.282 -16.746 8.846 1.00 60.01 H new ATOM 0 HB THR A 33 2.828 -18.965 7.721 1.00 44.41 H new ATOM 0 HG1 THR A 33 0.599 -19.286 7.056 1.00 62.32 H new ATOM 0 HG21 THR A 33 1.126 -19.680 9.357 1.00 73.31 H new ATOM 0 HG22 THR A 33 2.340 -18.612 10.101 1.00 73.31 H new ATOM 0 HG23 THR A 33 0.730 -17.976 9.685 1.00 73.31 H new ATOM 550 N ARG A 34 2.753 -15.812 5.820 1.00 73.21 N ATOM 551 CA ARG A 34 3.377 -15.505 4.543 1.00 61.04 C ATOM 552 C ARG A 34 4.648 -14.683 4.757 1.00 43.14 C ATOM 553 O ARG A 34 4.706 -13.828 5.643 1.00 11.11 O ATOM 554 CB ARG A 34 2.400 -14.758 3.618 1.00 32.23 C ATOM 555 CG ARG A 34 2.254 -13.280 3.927 1.00 2.25 C ATOM 556 CD ARG A 34 1.216 -12.616 3.042 1.00 51.22 C ATOM 557 NE ARG A 34 -0.151 -12.842 3.520 1.00 21.14 N ATOM 558 CZ ARG A 34 -0.882 -11.903 4.134 1.00 64.13 C ATOM 559 NH1 ARG A 34 -0.336 -10.733 4.431 1.00 70.13 N ATOM 560 NH2 ARG A 34 -2.143 -12.144 4.477 1.00 11.34 N ATOM 0 H ARG A 34 1.838 -15.382 5.958 1.00 73.21 H new ATOM 0 HA ARG A 34 3.646 -16.445 4.060 1.00 61.04 H new ATOM 0 HB2 ARG A 34 2.736 -14.870 2.587 1.00 32.23 H new ATOM 0 HB3 ARG A 34 1.420 -15.230 3.687 1.00 32.23 H new ATOM 0 HG2 ARG A 34 1.973 -13.154 4.973 1.00 2.25 H new ATOM 0 HG3 ARG A 34 3.216 -12.785 3.793 1.00 2.25 H new ATOM 0 HD2 ARG A 34 1.411 -11.544 2.999 1.00 51.22 H new ATOM 0 HD3 ARG A 34 1.311 -12.998 2.026 1.00 51.22 H new ATOM 0 HE ARG A 34 -0.567 -13.762 3.378 1.00 21.14 H new ATOM 0 HH11 ARG A 34 0.638 -10.550 4.192 1.00 70.13 H new ATOM 0 HH12 ARG A 34 -0.890 -10.016 4.899 1.00 70.13 H new ATOM 0 HH21 ARG A 34 -2.563 -13.051 4.273 1.00 11.34 H new ATOM 0 HH22 ARG A 34 -2.691 -11.422 4.944 1.00 11.34 H new ATOM 574 N THR A 35 5.657 -14.956 3.972 1.00 22.15 N ATOM 575 CA THR A 35 6.911 -14.247 4.093 1.00 61.44 C ATOM 576 C THR A 35 7.000 -13.107 3.067 1.00 34.22 C ATOM 577 O THR A 35 6.066 -12.883 2.289 1.00 41.11 O ATOM 578 CB THR A 35 8.121 -15.211 3.938 1.00 31.40 C ATOM 579 OG1 THR A 35 9.348 -14.518 4.198 1.00 41.03 O ATOM 580 CG2 THR A 35 8.164 -15.816 2.542 1.00 64.11 C ATOM 0 H THR A 35 5.638 -15.665 3.239 1.00 22.15 H new ATOM 0 HA THR A 35 6.948 -13.814 5.093 1.00 61.44 H new ATOM 0 HB THR A 35 8.000 -16.016 4.663 1.00 31.40 H new ATOM 0 HG1 THR A 35 9.259 -13.992 5.020 1.00 41.03 H new ATOM 0 HG21 THR A 35 9.020 -16.486 2.462 1.00 64.11 H new ATOM 0 HG22 THR A 35 7.247 -16.376 2.360 1.00 64.11 H new ATOM 0 HG23 THR A 35 8.256 -15.020 1.803 1.00 64.11 H new ATOM 588 N LYS A 36 8.126 -12.399 3.081 1.00 3.51 N ATOM 589 CA LYS A 36 8.374 -11.280 2.176 1.00 24.31 C ATOM 590 C LYS A 36 8.245 -11.703 0.718 1.00 53.11 C ATOM 591 O LYS A 36 7.581 -11.038 -0.070 1.00 62.32 O ATOM 592 CB LYS A 36 9.773 -10.705 2.431 1.00 41.44 C ATOM 593 CG LYS A 36 10.317 -9.856 1.289 1.00 12.41 C ATOM 594 CD LYS A 36 11.697 -9.315 1.607 1.00 40.41 C ATOM 595 CE LYS A 36 12.355 -8.722 0.376 1.00 33.42 C ATOM 596 NZ LYS A 36 12.771 -9.767 -0.598 1.00 30.31 N ATOM 0 H LYS A 36 8.896 -12.586 3.723 1.00 3.51 H new ATOM 0 HA LYS A 36 7.622 -10.515 2.371 1.00 24.31 H new ATOM 0 HB2 LYS A 36 9.745 -10.100 3.337 1.00 41.44 H new ATOM 0 HB3 LYS A 36 10.463 -11.528 2.618 1.00 41.44 H new ATOM 0 HG2 LYS A 36 10.360 -10.454 0.379 1.00 12.41 H new ATOM 0 HG3 LYS A 36 9.636 -9.027 1.094 1.00 12.41 H new ATOM 0 HD2 LYS A 36 11.621 -8.554 2.383 1.00 40.41 H new ATOM 0 HD3 LYS A 36 12.321 -10.115 2.005 1.00 40.41 H new ATOM 0 HE2 LYS A 36 11.663 -8.032 -0.107 1.00 33.42 H new ATOM 0 HE3 LYS A 36 13.227 -8.140 0.677 1.00 33.42 H new ATOM 0 HZ1 LYS A 36 12.635 -9.413 -1.566 1.00 30.31 H new ATOM 0 HZ2 LYS A 36 13.774 -9.998 -0.452 1.00 30.31 H new ATOM 0 HZ3 LYS A 36 12.195 -10.621 -0.458 1.00 30.31 H new ATOM 610 N GLU A 37 8.877 -12.813 0.378 1.00 53.31 N ATOM 611 CA GLU A 37 8.857 -13.319 -0.987 1.00 24.04 C ATOM 612 C GLU A 37 7.430 -13.596 -1.449 1.00 51.34 C ATOM 613 O GLU A 37 7.041 -13.206 -2.546 1.00 3.13 O ATOM 614 CB GLU A 37 9.713 -14.575 -1.094 1.00 12.52 C ATOM 615 CG GLU A 37 11.174 -14.342 -0.741 1.00 12.12 C ATOM 616 CD GLU A 37 11.847 -13.354 -1.671 1.00 64.43 C ATOM 617 OE1 GLU A 37 11.769 -12.133 -1.414 1.00 32.35 O ATOM 618 OE2 GLU A 37 12.462 -13.795 -2.667 1.00 1.50 O ATOM 0 H GLU A 37 9.413 -13.385 1.031 1.00 53.31 H new ATOM 0 HA GLU A 37 9.275 -12.555 -1.642 1.00 24.04 H new ATOM 0 HB2 GLU A 37 9.305 -15.341 -0.434 1.00 12.52 H new ATOM 0 HB3 GLU A 37 9.650 -14.963 -2.111 1.00 12.52 H new ATOM 0 HG2 GLU A 37 11.243 -13.976 0.283 1.00 12.12 H new ATOM 0 HG3 GLU A 37 11.709 -15.291 -0.777 1.00 12.12 H new ATOM 625 N GLU A 38 6.651 -14.245 -0.590 1.00 42.53 N ATOM 626 CA GLU A 38 5.260 -14.551 -0.898 1.00 42.12 C ATOM 627 C GLU A 38 4.455 -13.269 -1.059 1.00 14.23 C ATOM 628 O GLU A 38 3.590 -13.172 -1.930 1.00 11.13 O ATOM 629 CB GLU A 38 4.646 -15.419 0.197 1.00 23.32 C ATOM 630 CG GLU A 38 5.297 -16.782 0.343 1.00 54.21 C ATOM 631 CD GLU A 38 4.697 -17.588 1.470 1.00 40.15 C ATOM 632 OE1 GLU A 38 5.046 -17.333 2.635 1.00 22.21 O ATOM 633 OE2 GLU A 38 3.861 -18.475 1.196 1.00 13.34 O ATOM 0 H GLU A 38 6.961 -14.569 0.326 1.00 42.53 H new ATOM 0 HA GLU A 38 5.233 -15.103 -1.838 1.00 42.12 H new ATOM 0 HB2 GLU A 38 4.717 -14.890 1.148 1.00 23.32 H new ATOM 0 HB3 GLU A 38 3.585 -15.555 -0.014 1.00 23.32 H new ATOM 0 HG2 GLU A 38 5.192 -17.334 -0.591 1.00 54.21 H new ATOM 0 HG3 GLU A 38 6.365 -16.655 0.519 1.00 54.21 H new ATOM 640 N ALA A 39 4.752 -12.288 -0.216 1.00 32.32 N ATOM 641 CA ALA A 39 4.078 -11.001 -0.266 1.00 11.30 C ATOM 642 C ALA A 39 4.412 -10.267 -1.560 1.00 71.54 C ATOM 643 O ALA A 39 3.541 -9.666 -2.179 1.00 4.50 O ATOM 644 CB ALA A 39 4.457 -10.157 0.942 1.00 40.45 C ATOM 0 H ALA A 39 5.460 -12.362 0.514 1.00 32.32 H new ATOM 0 HA ALA A 39 3.002 -11.175 -0.242 1.00 11.30 H new ATOM 0 HB1 ALA A 39 3.944 -9.196 0.890 1.00 40.45 H new ATOM 0 HB2 ALA A 39 4.164 -10.676 1.855 1.00 40.45 H new ATOM 0 HB3 ALA A 39 5.535 -9.993 0.948 1.00 40.45 H new ATOM 650 N LEU A 40 5.675 -10.340 -1.968 1.00 33.43 N ATOM 651 CA LEU A 40 6.132 -9.699 -3.197 1.00 53.10 C ATOM 652 C LEU A 40 5.396 -10.276 -4.405 1.00 43.30 C ATOM 653 O LEU A 40 5.026 -9.546 -5.333 1.00 55.23 O ATOM 654 CB LEU A 40 7.644 -9.879 -3.362 1.00 21.43 C ATOM 655 CG LEU A 40 8.269 -9.213 -4.595 1.00 71.33 C ATOM 656 CD1 LEU A 40 8.096 -7.701 -4.538 1.00 1.44 C ATOM 657 CD2 LEU A 40 9.740 -9.581 -4.706 1.00 61.03 C ATOM 0 H LEU A 40 6.405 -10.840 -1.461 1.00 33.43 H new ATOM 0 HA LEU A 40 5.913 -8.633 -3.133 1.00 53.10 H new ATOM 0 HB2 LEU A 40 8.136 -9.486 -2.472 1.00 21.43 H new ATOM 0 HB3 LEU A 40 7.861 -10.946 -3.401 1.00 21.43 H new ATOM 0 HG LEU A 40 7.753 -9.579 -5.483 1.00 71.33 H new ATOM 0 HD11 LEU A 40 8.547 -7.250 -5.422 1.00 1.44 H new ATOM 0 HD12 LEU A 40 7.034 -7.457 -4.507 1.00 1.44 H new ATOM 0 HD13 LEU A 40 8.583 -7.312 -3.644 1.00 1.44 H new ATOM 0 HD21 LEU A 40 10.170 -9.101 -5.585 1.00 61.03 H new ATOM 0 HD22 LEU A 40 10.268 -9.243 -3.814 1.00 61.03 H new ATOM 0 HD23 LEU A 40 9.839 -10.663 -4.798 1.00 61.03 H new ATOM 669 N GLU A 41 5.173 -11.584 -4.378 1.00 33.24 N ATOM 670 CA GLU A 41 4.443 -12.260 -5.441 1.00 0.33 C ATOM 671 C GLU A 41 3.010 -11.750 -5.503 1.00 74.43 C ATOM 672 O GLU A 41 2.425 -11.622 -6.583 1.00 44.41 O ATOM 673 CB GLU A 41 4.459 -13.772 -5.219 1.00 11.21 C ATOM 674 CG GLU A 41 5.854 -14.363 -5.173 1.00 72.21 C ATOM 675 CD GLU A 41 5.853 -15.851 -4.926 1.00 41.44 C ATOM 676 OE1 GLU A 41 5.545 -16.271 -3.797 1.00 53.03 O ATOM 677 OE2 GLU A 41 6.180 -16.616 -5.862 1.00 4.23 O ATOM 0 H GLU A 41 5.489 -12.199 -3.628 1.00 33.24 H new ATOM 0 HA GLU A 41 4.932 -12.044 -6.391 1.00 0.33 H new ATOM 0 HB2 GLU A 41 3.946 -13.999 -4.284 1.00 11.21 H new ATOM 0 HB3 GLU A 41 3.895 -14.254 -6.018 1.00 11.21 H new ATOM 0 HG2 GLU A 41 6.362 -14.156 -6.115 1.00 72.21 H new ATOM 0 HG3 GLU A 41 6.426 -13.870 -4.387 1.00 72.21 H new ATOM 684 N LEU A 42 2.453 -11.447 -4.333 1.00 4.31 N ATOM 685 CA LEU A 42 1.108 -10.907 -4.240 1.00 12.55 C ATOM 686 C LEU A 42 1.081 -9.485 -4.781 1.00 44.51 C ATOM 687 O LEU A 42 0.153 -9.104 -5.492 1.00 42.22 O ATOM 688 CB LEU A 42 0.611 -10.928 -2.791 1.00 74.42 C ATOM 689 CG LEU A 42 0.488 -12.311 -2.144 1.00 30.14 C ATOM 690 CD1 LEU A 42 0.056 -12.182 -0.693 1.00 14.14 C ATOM 691 CD2 LEU A 42 -0.494 -13.180 -2.917 1.00 30.34 C ATOM 0 H LEU A 42 2.919 -11.569 -3.434 1.00 4.31 H new ATOM 0 HA LEU A 42 0.444 -11.531 -4.838 1.00 12.55 H new ATOM 0 HB2 LEU A 42 1.288 -10.325 -2.187 1.00 74.42 H new ATOM 0 HB3 LEU A 42 -0.365 -10.444 -2.755 1.00 74.42 H new ATOM 0 HG LEU A 42 1.466 -12.791 -2.173 1.00 30.14 H new ATOM 0 HD11 LEU A 42 -0.027 -13.174 -0.248 1.00 14.14 H new ATOM 0 HD12 LEU A 42 0.795 -11.599 -0.144 1.00 14.14 H new ATOM 0 HD13 LEU A 42 -0.911 -11.681 -0.644 1.00 14.14 H new ATOM 0 HD21 LEU A 42 -0.567 -14.158 -2.441 1.00 30.34 H new ATOM 0 HD22 LEU A 42 -1.475 -12.705 -2.922 1.00 30.34 H new ATOM 0 HD23 LEU A 42 -0.144 -13.300 -3.942 1.00 30.34 H new ATOM 703 N ILE A 43 2.117 -8.709 -4.441 1.00 32.13 N ATOM 704 CA ILE A 43 2.252 -7.329 -4.915 1.00 0.41 C ATOM 705 C ILE A 43 2.152 -7.284 -6.429 1.00 31.13 C ATOM 706 O ILE A 43 1.305 -6.582 -6.987 1.00 54.23 O ATOM 707 CB ILE A 43 3.611 -6.705 -4.489 1.00 2.13 C ATOM 708 CG1 ILE A 43 3.752 -6.685 -2.964 1.00 44.24 C ATOM 709 CG2 ILE A 43 3.767 -5.295 -5.058 1.00 11.52 C ATOM 710 CD1 ILE A 43 2.675 -5.895 -2.261 1.00 44.35 C ATOM 0 H ILE A 43 2.878 -9.017 -3.835 1.00 32.13 H new ATOM 0 HA ILE A 43 1.444 -6.753 -4.464 1.00 0.41 H new ATOM 0 HB ILE A 43 4.406 -7.329 -4.897 1.00 2.13 H new ATOM 0 HG12 ILE A 43 3.737 -7.710 -2.594 1.00 44.24 H new ATOM 0 HG13 ILE A 43 4.724 -6.266 -2.704 1.00 44.24 H new ATOM 0 HG21 ILE A 43 4.726 -4.881 -4.746 1.00 11.52 H new ATOM 0 HG22 ILE A 43 3.727 -5.335 -6.146 1.00 11.52 H new ATOM 0 HG23 ILE A 43 2.960 -4.662 -4.688 1.00 11.52 H new ATOM 0 HD11 ILE A 43 2.843 -5.928 -1.185 1.00 44.35 H new ATOM 0 HD12 ILE A 43 2.703 -4.860 -2.601 1.00 44.35 H new ATOM 0 HD13 ILE A 43 1.700 -6.326 -2.489 1.00 44.35 H new ATOM 722 N ASN A 44 3.013 -8.055 -7.085 1.00 61.15 N ATOM 723 CA ASN A 44 3.029 -8.130 -8.541 1.00 4.42 C ATOM 724 C ASN A 44 1.672 -8.561 -9.072 1.00 51.14 C ATOM 725 O ASN A 44 1.189 -8.028 -10.073 1.00 73.21 O ATOM 726 CB ASN A 44 4.113 -9.099 -9.024 1.00 21.24 C ATOM 727 CG ASN A 44 5.517 -8.609 -8.728 1.00 22.32 C ATOM 728 OD1 ASN A 44 5.774 -7.405 -8.682 1.00 20.10 O ATOM 729 ND2 ASN A 44 6.439 -9.535 -8.532 1.00 34.25 N ATOM 0 H ASN A 44 3.713 -8.640 -6.628 1.00 61.15 H new ATOM 0 HA ASN A 44 3.255 -7.135 -8.925 1.00 4.42 H new ATOM 0 HB2 ASN A 44 3.964 -10.069 -8.549 1.00 21.24 H new ATOM 0 HB3 ASN A 44 4.005 -9.251 -10.098 1.00 21.24 H new ATOM 0 HD21 ASN A 44 7.402 -9.262 -8.335 1.00 34.25 H new ATOM 0 HD22 ASN A 44 6.188 -10.523 -8.578 1.00 34.25 H new ATOM 736 N GLY A 45 1.050 -9.511 -8.379 1.00 62.31 N ATOM 737 CA GLY A 45 -0.258 -9.993 -8.770 1.00 71.11 C ATOM 738 C GLY A 45 -1.294 -8.888 -8.784 1.00 20.13 C ATOM 739 O GLY A 45 -2.050 -8.752 -9.749 1.00 53.04 O ATOM 0 H GLY A 45 1.435 -9.957 -7.547 1.00 62.31 H new ATOM 0 HA2 GLY A 45 -0.196 -10.443 -9.761 1.00 71.11 H new ATOM 0 HA3 GLY A 45 -0.575 -10.777 -8.082 1.00 71.11 H new ATOM 743 N TYR A 46 -1.318 -8.085 -7.720 1.00 23.01 N ATOM 744 CA TYR A 46 -2.259 -6.969 -7.622 1.00 52.32 C ATOM 745 C TYR A 46 -2.023 -5.990 -8.764 1.00 21.30 C ATOM 746 O TYR A 46 -2.965 -5.534 -9.416 1.00 34.53 O ATOM 747 CB TYR A 46 -2.109 -6.227 -6.283 1.00 74.14 C ATOM 748 CG TYR A 46 -2.226 -7.096 -5.042 1.00 64.53 C ATOM 749 CD1 TYR A 46 -3.129 -8.152 -4.974 1.00 13.22 C ATOM 750 CD2 TYR A 46 -1.427 -6.849 -3.934 1.00 50.51 C ATOM 751 CE1 TYR A 46 -3.227 -8.934 -3.835 1.00 23.22 C ATOM 752 CE2 TYR A 46 -1.517 -7.622 -2.796 1.00 11.53 C ATOM 753 CZ TYR A 46 -2.416 -8.662 -2.748 1.00 42.32 C ATOM 754 OH TYR A 46 -2.511 -9.432 -1.607 1.00 1.01 O ATOM 0 H TYR A 46 -0.699 -8.186 -6.916 1.00 23.01 H new ATOM 0 HA TYR A 46 -3.268 -7.377 -7.682 1.00 52.32 H new ATOM 0 HB2 TYR A 46 -1.139 -5.730 -6.268 1.00 74.14 H new ATOM 0 HB3 TYR A 46 -2.868 -5.446 -6.232 1.00 74.14 H new ATOM 0 HD1 TYR A 46 -3.763 -8.365 -5.822 1.00 13.22 H new ATOM 0 HD2 TYR A 46 -0.720 -6.034 -3.964 1.00 50.51 H new ATOM 0 HE1 TYR A 46 -3.932 -9.751 -3.796 1.00 23.22 H new ATOM 0 HE2 TYR A 46 -0.885 -7.412 -1.946 1.00 11.53 H new ATOM 0 HH TYR A 46 -1.871 -9.108 -0.939 1.00 1.01 H new ATOM 764 N ILE A 47 -0.748 -5.690 -9.009 1.00 70.42 N ATOM 765 CA ILE A 47 -0.348 -4.764 -10.064 1.00 24.23 C ATOM 766 C ILE A 47 -0.881 -5.217 -11.425 1.00 13.21 C ATOM 767 O ILE A 47 -1.434 -4.415 -12.186 1.00 61.00 O ATOM 768 CB ILE A 47 1.198 -4.626 -10.140 1.00 23.41 C ATOM 769 CG1 ILE A 47 1.755 -4.100 -8.811 1.00 71.34 C ATOM 770 CG2 ILE A 47 1.602 -3.710 -11.289 1.00 70.32 C ATOM 771 CD1 ILE A 47 3.266 -3.980 -8.782 1.00 40.51 C ATOM 0 H ILE A 47 0.033 -6.081 -8.483 1.00 70.42 H new ATOM 0 HA ILE A 47 -0.778 -3.794 -9.815 1.00 24.23 H new ATOM 0 HB ILE A 47 1.621 -5.613 -10.326 1.00 23.41 H new ATOM 0 HG12 ILE A 47 1.319 -3.122 -8.607 1.00 71.34 H new ATOM 0 HG13 ILE A 47 1.438 -4.764 -8.007 1.00 71.34 H new ATOM 0 HG21 ILE A 47 2.688 -3.627 -11.324 1.00 70.32 H new ATOM 0 HG22 ILE A 47 1.239 -4.124 -12.230 1.00 70.32 H new ATOM 0 HG23 ILE A 47 1.168 -2.722 -11.137 1.00 70.32 H new ATOM 0 HD11 ILE A 47 3.582 -3.602 -7.810 1.00 40.51 H new ATOM 0 HD12 ILE A 47 3.712 -4.960 -8.953 1.00 40.51 H new ATOM 0 HD13 ILE A 47 3.591 -3.292 -9.562 1.00 40.51 H new ATOM 783 N GLN A 48 -0.726 -6.504 -11.718 1.00 20.53 N ATOM 784 CA GLN A 48 -1.182 -7.060 -12.993 1.00 14.03 C ATOM 785 C GLN A 48 -2.687 -6.884 -13.158 1.00 42.21 C ATOM 786 O GLN A 48 -3.159 -6.466 -14.217 1.00 41.52 O ATOM 787 CB GLN A 48 -0.832 -8.551 -13.107 1.00 11.20 C ATOM 788 CG GLN A 48 0.646 -8.882 -12.939 1.00 30.15 C ATOM 789 CD GLN A 48 1.550 -8.071 -13.844 1.00 72.31 C ATOM 790 OE1 GLN A 48 1.149 -7.640 -14.924 1.00 0.20 O ATOM 791 NE2 GLN A 48 2.783 -7.877 -13.418 1.00 41.23 N ATOM 0 H GLN A 48 -0.290 -7.182 -11.094 1.00 20.53 H new ATOM 0 HA GLN A 48 -0.668 -6.514 -13.784 1.00 14.03 H new ATOM 0 HB2 GLN A 48 -1.399 -9.100 -12.355 1.00 11.20 H new ATOM 0 HB3 GLN A 48 -1.161 -8.912 -14.081 1.00 11.20 H new ATOM 0 HG2 GLN A 48 0.934 -8.710 -11.902 1.00 30.15 H new ATOM 0 HG3 GLN A 48 0.799 -9.942 -13.141 1.00 30.15 H new ATOM 0 HE21 GLN A 48 3.076 -8.252 -12.515 1.00 41.23 H new ATOM 0 HE22 GLN A 48 3.444 -7.352 -13.991 1.00 41.23 H new ATOM 800 N LYS A 49 -3.429 -7.178 -12.096 1.00 45.35 N ATOM 801 CA LYS A 49 -4.889 -7.101 -12.118 1.00 44.13 C ATOM 802 C LYS A 49 -5.373 -5.680 -12.387 1.00 4.43 C ATOM 803 O LYS A 49 -6.324 -5.469 -13.148 1.00 20.42 O ATOM 804 CB LYS A 49 -5.463 -7.602 -10.792 1.00 21.33 C ATOM 805 CG LYS A 49 -5.107 -9.044 -10.474 1.00 54.23 C ATOM 806 CD LYS A 49 -5.643 -9.460 -9.114 1.00 31.04 C ATOM 807 CE LYS A 49 -5.350 -10.924 -8.821 1.00 3.41 C ATOM 808 NZ LYS A 49 -5.940 -11.821 -9.844 1.00 43.42 N ATOM 0 H LYS A 49 -3.041 -7.475 -11.201 1.00 45.35 H new ATOM 0 HA LYS A 49 -5.241 -7.736 -12.931 1.00 44.13 H new ATOM 0 HB2 LYS A 49 -5.102 -6.963 -9.986 1.00 21.33 H new ATOM 0 HB3 LYS A 49 -6.548 -7.503 -10.816 1.00 21.33 H new ATOM 0 HG2 LYS A 49 -5.515 -9.699 -11.244 1.00 54.23 H new ATOM 0 HG3 LYS A 49 -4.024 -9.166 -10.493 1.00 54.23 H new ATOM 0 HD2 LYS A 49 -5.196 -8.837 -8.340 1.00 31.04 H new ATOM 0 HD3 LYS A 49 -6.719 -9.289 -9.079 1.00 31.04 H new ATOM 0 HE2 LYS A 49 -4.272 -11.078 -8.782 1.00 3.41 H new ATOM 0 HE3 LYS A 49 -5.745 -11.184 -7.839 1.00 3.41 H new ATOM 0 HZ1 LYS A 49 -5.975 -12.793 -9.475 1.00 43.42 H new ATOM 0 HZ2 LYS A 49 -6.903 -11.502 -10.071 1.00 43.42 H new ATOM 0 HZ3 LYS A 49 -5.356 -11.798 -10.704 1.00 43.42 H new ATOM 822 N ILE A 50 -4.714 -4.715 -11.775 1.00 3.41 N ATOM 823 CA ILE A 50 -5.091 -3.318 -11.920 1.00 11.21 C ATOM 824 C ILE A 50 -4.733 -2.782 -13.309 1.00 4.22 C ATOM 825 O ILE A 50 -5.562 -2.164 -13.976 1.00 63.04 O ATOM 826 CB ILE A 50 -4.425 -2.441 -10.832 1.00 20.13 C ATOM 827 CG1 ILE A 50 -4.833 -2.934 -9.437 1.00 45.13 C ATOM 828 CG2 ILE A 50 -4.806 -0.973 -11.014 1.00 11.31 C ATOM 829 CD1 ILE A 50 -4.121 -2.228 -8.304 1.00 32.03 C ATOM 0 H ILE A 50 -3.909 -4.872 -11.168 1.00 3.41 H new ATOM 0 HA ILE A 50 -6.173 -3.266 -11.797 1.00 11.21 H new ATOM 0 HB ILE A 50 -3.343 -2.525 -10.932 1.00 20.13 H new ATOM 0 HG12 ILE A 50 -5.908 -2.802 -9.316 1.00 45.13 H new ATOM 0 HG13 ILE A 50 -4.634 -4.003 -9.368 1.00 45.13 H new ATOM 0 HG21 ILE A 50 -4.327 -0.374 -10.239 1.00 11.31 H new ATOM 0 HG22 ILE A 50 -4.475 -0.630 -11.994 1.00 11.31 H new ATOM 0 HG23 ILE A 50 -5.888 -0.866 -10.939 1.00 11.31 H new ATOM 0 HD11 ILE A 50 -4.463 -2.632 -7.351 1.00 32.03 H new ATOM 0 HD12 ILE A 50 -3.046 -2.381 -8.398 1.00 32.03 H new ATOM 0 HD13 ILE A 50 -4.340 -1.161 -8.345 1.00 32.03 H new ATOM 841 N LYS A 51 -3.506 -3.042 -13.752 1.00 73.21 N ATOM 842 CA LYS A 51 -3.040 -2.534 -15.043 1.00 63.43 C ATOM 843 C LYS A 51 -3.753 -3.189 -16.220 1.00 73.25 C ATOM 844 O LYS A 51 -3.872 -2.590 -17.291 1.00 33.02 O ATOM 845 CB LYS A 51 -1.527 -2.690 -15.186 1.00 41.52 C ATOM 846 CG LYS A 51 -0.733 -1.762 -14.285 1.00 12.51 C ATOM 847 CD LYS A 51 0.755 -1.868 -14.556 1.00 60.41 C ATOM 848 CE LYS A 51 1.543 -0.897 -13.694 1.00 72.10 C ATOM 849 NZ LYS A 51 3.004 -0.998 -13.937 1.00 1.12 N ATOM 0 H LYS A 51 -2.819 -3.597 -13.242 1.00 73.21 H new ATOM 0 HA LYS A 51 -3.287 -1.472 -15.063 1.00 63.43 H new ATOM 0 HB2 LYS A 51 -1.254 -3.721 -14.963 1.00 41.52 H new ATOM 0 HB3 LYS A 51 -1.247 -2.503 -16.223 1.00 41.52 H new ATOM 0 HG2 LYS A 51 -1.060 -0.734 -14.440 1.00 12.51 H new ATOM 0 HG3 LYS A 51 -0.933 -2.006 -13.242 1.00 12.51 H new ATOM 0 HD2 LYS A 51 1.091 -2.886 -14.361 1.00 60.41 H new ATOM 0 HD3 LYS A 51 0.951 -1.664 -15.609 1.00 60.41 H new ATOM 0 HE2 LYS A 51 1.211 0.121 -13.898 1.00 72.10 H new ATOM 0 HE3 LYS A 51 1.336 -1.095 -12.642 1.00 72.10 H new ATOM 0 HZ1 LYS A 51 3.505 -0.319 -13.329 1.00 1.12 H new ATOM 0 HZ2 LYS A 51 3.327 -1.962 -13.718 1.00 1.12 H new ATOM 0 HZ3 LYS A 51 3.206 -0.784 -14.935 1.00 1.12 H new ATOM 863 N SER A 52 -4.230 -4.404 -16.028 1.00 43.34 N ATOM 864 CA SER A 52 -4.933 -5.108 -17.087 1.00 24.01 C ATOM 865 C SER A 52 -6.413 -4.728 -17.118 1.00 34.35 C ATOM 866 O SER A 52 -7.169 -5.202 -17.965 1.00 41.42 O ATOM 867 CB SER A 52 -4.769 -6.617 -16.921 1.00 72.12 C ATOM 868 OG SER A 52 -3.394 -6.971 -16.910 1.00 30.35 O ATOM 0 H SER A 52 -4.145 -4.923 -15.154 1.00 43.34 H new ATOM 0 HA SER A 52 -4.494 -4.811 -18.039 1.00 24.01 H new ATOM 0 HB2 SER A 52 -5.241 -6.940 -15.993 1.00 72.12 H new ATOM 0 HB3 SER A 52 -5.277 -7.135 -17.734 1.00 72.12 H new ATOM 0 HG SER A 52 -3.038 -6.871 -16.003 1.00 30.35 H new ATOM 874 N GLY A 53 -6.817 -3.866 -16.192 1.00 2.23 N ATOM 875 CA GLY A 53 -8.196 -3.430 -16.137 1.00 24.24 C ATOM 876 C GLY A 53 -9.133 -4.535 -15.708 1.00 31.15 C ATOM 877 O GLY A 53 -10.319 -4.520 -16.036 1.00 14.41 O ATOM 0 H GLY A 53 -6.211 -3.462 -15.478 1.00 2.23 H new ATOM 0 HA2 GLY A 53 -8.282 -2.594 -15.443 1.00 24.24 H new ATOM 0 HA3 GLY A 53 -8.497 -3.062 -17.118 1.00 24.24 H new ATOM 881 N GLU A 54 -8.602 -5.496 -14.975 1.00 4.34 N ATOM 882 CA GLU A 54 -9.392 -6.610 -14.495 1.00 33.33 C ATOM 883 C GLU A 54 -10.085 -6.219 -13.213 1.00 42.22 C ATOM 884 O GLU A 54 -11.310 -6.293 -13.100 1.00 14.32 O ATOM 885 CB GLU A 54 -8.502 -7.830 -14.257 1.00 14.42 C ATOM 886 CG GLU A 54 -7.771 -8.308 -15.497 1.00 44.54 C ATOM 887 CD GLU A 54 -8.708 -8.834 -16.560 1.00 42.13 C ATOM 888 OE1 GLU A 54 -9.311 -8.015 -17.290 1.00 72.25 O ATOM 889 OE2 GLU A 54 -8.838 -10.069 -16.682 1.00 73.33 O ATOM 0 H GLU A 54 -7.621 -5.525 -14.699 1.00 4.34 H new ATOM 0 HA GLU A 54 -10.138 -6.867 -15.247 1.00 33.33 H new ATOM 0 HB2 GLU A 54 -7.770 -7.589 -13.486 1.00 14.42 H new ATOM 0 HB3 GLU A 54 -9.115 -8.645 -13.871 1.00 14.42 H new ATOM 0 HG2 GLU A 54 -7.186 -7.485 -15.909 1.00 44.54 H new ATOM 0 HG3 GLU A 54 -7.067 -9.092 -15.219 1.00 44.54 H new ATOM 896 N GLU A 55 -9.294 -5.776 -12.261 1.00 33.42 N ATOM 897 CA GLU A 55 -9.797 -5.360 -10.976 1.00 1.45 C ATOM 898 C GLU A 55 -9.171 -4.029 -10.592 1.00 55.22 C ATOM 899 O GLU A 55 -8.319 -3.507 -11.321 1.00 61.23 O ATOM 900 CB GLU A 55 -9.496 -6.423 -9.919 1.00 63.53 C ATOM 901 CG GLU A 55 -10.101 -7.786 -10.231 1.00 74.24 C ATOM 902 CD GLU A 55 -9.809 -8.818 -9.170 1.00 2.55 C ATOM 903 OE1 GLU A 55 -10.612 -8.944 -8.224 1.00 45.54 O ATOM 904 OE2 GLU A 55 -8.785 -9.517 -9.280 1.00 21.50 O ATOM 0 H GLU A 55 -8.282 -5.695 -12.359 1.00 33.42 H new ATOM 0 HA GLU A 55 -10.879 -5.238 -11.035 1.00 1.45 H new ATOM 0 HB2 GLU A 55 -8.416 -6.529 -9.820 1.00 63.53 H new ATOM 0 HB3 GLU A 55 -9.872 -6.081 -8.955 1.00 63.53 H new ATOM 0 HG2 GLU A 55 -11.180 -7.682 -10.341 1.00 74.24 H new ATOM 0 HG3 GLU A 55 -9.716 -8.138 -11.188 1.00 74.24 H new ATOM 911 N ASP A 56 -9.582 -3.476 -9.473 1.00 34.21 N ATOM 912 CA ASP A 56 -9.060 -2.193 -9.032 1.00 74.23 C ATOM 913 C ASP A 56 -8.441 -2.285 -7.655 1.00 75.11 C ATOM 914 O ASP A 56 -8.661 -3.247 -6.919 1.00 24.02 O ATOM 915 CB ASP A 56 -10.138 -1.105 -9.059 1.00 31.24 C ATOM 916 CG ASP A 56 -11.356 -1.457 -8.244 1.00 3.45 C ATOM 917 OD1 ASP A 56 -11.340 -1.251 -7.017 1.00 31.41 O ATOM 918 OD2 ASP A 56 -12.347 -1.936 -8.835 1.00 43.23 O ATOM 0 H ASP A 56 -10.275 -3.890 -8.850 1.00 34.21 H new ATOM 0 HA ASP A 56 -8.278 -1.914 -9.738 1.00 74.23 H new ATOM 0 HB2 ASP A 56 -9.714 -0.173 -8.684 1.00 31.24 H new ATOM 0 HB3 ASP A 56 -10.439 -0.926 -10.091 1.00 31.24 H new ATOM 923 N PHE A 57 -7.686 -1.263 -7.311 1.00 73.12 N ATOM 924 CA PHE A 57 -6.957 -1.200 -6.056 1.00 54.35 C ATOM 925 C PHE A 57 -7.895 -1.233 -4.853 1.00 62.14 C ATOM 926 O PHE A 57 -7.647 -1.950 -3.887 1.00 20.44 O ATOM 927 CB PHE A 57 -6.118 0.077 -6.033 1.00 31.05 C ATOM 928 CG PHE A 57 -5.235 0.233 -4.832 1.00 72.31 C ATOM 929 CD1 PHE A 57 -3.955 -0.286 -4.833 1.00 71.32 C ATOM 930 CD2 PHE A 57 -5.680 0.911 -3.709 1.00 62.23 C ATOM 931 CE1 PHE A 57 -3.135 -0.133 -3.738 1.00 63.53 C ATOM 932 CE2 PHE A 57 -4.862 1.067 -2.613 1.00 72.33 C ATOM 933 CZ PHE A 57 -3.589 0.545 -2.628 1.00 75.52 C ATOM 0 H PHE A 57 -7.558 -0.441 -7.901 1.00 73.12 H new ATOM 0 HA PHE A 57 -6.312 -2.076 -5.987 1.00 54.35 H new ATOM 0 HB2 PHE A 57 -5.496 0.102 -6.928 1.00 31.05 H new ATOM 0 HB3 PHE A 57 -6.788 0.935 -6.087 1.00 31.05 H new ATOM 0 HD1 PHE A 57 -3.594 -0.817 -5.701 1.00 71.32 H new ATOM 0 HD2 PHE A 57 -6.679 1.321 -3.693 1.00 62.23 H new ATOM 0 HE1 PHE A 57 -2.136 -0.544 -3.749 1.00 63.53 H new ATOM 0 HE2 PHE A 57 -5.219 1.598 -1.743 1.00 72.33 H new ATOM 0 HZ PHE A 57 -2.945 0.667 -1.769 1.00 75.52 H new ATOM 943 N GLU A 58 -8.977 -0.477 -4.927 1.00 43.42 N ATOM 944 CA GLU A 58 -9.912 -0.366 -3.812 1.00 10.23 C ATOM 945 C GLU A 58 -10.594 -1.691 -3.496 1.00 64.40 C ATOM 946 O GLU A 58 -10.734 -2.060 -2.326 1.00 4.34 O ATOM 947 CB GLU A 58 -10.956 0.703 -4.090 1.00 3.32 C ATOM 948 CG GLU A 58 -10.377 2.088 -4.279 1.00 72.21 C ATOM 949 CD GLU A 58 -11.449 3.130 -4.411 1.00 1.01 C ATOM 950 OE1 GLU A 58 -11.985 3.307 -5.527 1.00 31.45 O ATOM 951 OE2 GLU A 58 -11.784 3.771 -3.400 1.00 61.01 O ATOM 0 H GLU A 58 -9.233 0.072 -5.748 1.00 43.42 H new ATOM 0 HA GLU A 58 -9.328 -0.079 -2.938 1.00 10.23 H new ATOM 0 HB2 GLU A 58 -11.515 0.428 -4.985 1.00 3.32 H new ATOM 0 HB3 GLU A 58 -11.667 0.726 -3.264 1.00 3.32 H new ATOM 0 HG2 GLU A 58 -9.736 2.332 -3.432 1.00 72.21 H new ATOM 0 HG3 GLU A 58 -9.748 2.100 -5.169 1.00 72.21 H new ATOM 958 N SER A 59 -11.010 -2.407 -4.527 1.00 72.14 N ATOM 959 CA SER A 59 -11.693 -3.672 -4.336 1.00 24.23 C ATOM 960 C SER A 59 -10.741 -4.698 -3.733 1.00 41.53 C ATOM 961 O SER A 59 -11.137 -5.532 -2.914 1.00 43.05 O ATOM 962 CB SER A 59 -12.260 -4.179 -5.665 1.00 51.43 C ATOM 963 OG SER A 59 -13.029 -5.358 -5.484 1.00 4.30 O ATOM 0 H SER A 59 -10.886 -2.134 -5.502 1.00 72.14 H new ATOM 0 HA SER A 59 -12.523 -3.521 -3.645 1.00 24.23 H new ATOM 0 HB2 SER A 59 -12.880 -3.405 -6.117 1.00 51.43 H new ATOM 0 HB3 SER A 59 -11.443 -4.379 -6.358 1.00 51.43 H new ATOM 0 HG SER A 59 -13.379 -5.657 -6.349 1.00 4.30 H new ATOM 969 N LEU A 60 -9.484 -4.617 -4.124 1.00 30.41 N ATOM 970 CA LEU A 60 -8.472 -5.522 -3.620 1.00 0.40 C ATOM 971 C LEU A 60 -8.028 -5.123 -2.221 1.00 73.32 C ATOM 972 O LEU A 60 -7.647 -5.972 -1.423 1.00 55.11 O ATOM 973 CB LEU A 60 -7.271 -5.579 -4.569 1.00 54.11 C ATOM 974 CG LEU A 60 -7.381 -6.576 -5.733 1.00 44.12 C ATOM 975 CD1 LEU A 60 -8.612 -6.312 -6.579 1.00 54.12 C ATOM 976 CD2 LEU A 60 -6.127 -6.536 -6.588 1.00 63.25 C ATOM 0 H LEU A 60 -9.139 -3.929 -4.793 1.00 30.41 H new ATOM 0 HA LEU A 60 -8.913 -6.517 -3.564 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -7.112 -4.583 -4.983 1.00 54.11 H new ATOM 0 HB3 LEU A 60 -6.384 -5.827 -3.986 1.00 54.11 H new ATOM 0 HG LEU A 60 -7.482 -7.574 -5.306 1.00 44.12 H new ATOM 0 HD11 LEU A 60 -8.657 -7.036 -7.392 1.00 54.12 H new ATOM 0 HD12 LEU A 60 -9.505 -6.405 -5.961 1.00 54.12 H new ATOM 0 HD13 LEU A 60 -8.560 -5.305 -6.993 1.00 54.12 H new ATOM 0 HD21 LEU A 60 -6.222 -7.248 -7.407 1.00 63.25 H new ATOM 0 HD22 LEU A 60 -5.995 -5.533 -6.993 1.00 63.25 H new ATOM 0 HD23 LEU A 60 -5.262 -6.798 -5.978 1.00 63.25 H new ATOM 988 N ALA A 61 -8.091 -3.837 -1.926 1.00 35.40 N ATOM 989 CA ALA A 61 -7.694 -3.326 -0.622 1.00 0.10 C ATOM 990 C ALA A 61 -8.565 -3.905 0.488 1.00 74.45 C ATOM 991 O ALA A 61 -8.060 -4.422 1.474 1.00 24.40 O ATOM 992 CB ALA A 61 -7.749 -1.803 -0.602 1.00 14.45 C ATOM 0 H ALA A 61 -8.416 -3.121 -2.576 1.00 35.40 H new ATOM 0 HA ALA A 61 -6.666 -3.640 -0.441 1.00 0.10 H new ATOM 0 HB1 ALA A 61 -7.449 -1.441 0.381 1.00 14.45 H new ATOM 0 HB2 ALA A 61 -7.072 -1.405 -1.358 1.00 14.45 H new ATOM 0 HB3 ALA A 61 -8.766 -1.473 -0.815 1.00 14.45 H new ATOM 998 N SER A 62 -9.871 -3.852 0.300 1.00 43.11 N ATOM 999 CA SER A 62 -10.814 -4.336 1.305 1.00 43.21 C ATOM 1000 C SER A 62 -10.883 -5.877 1.354 1.00 44.32 C ATOM 1001 O SER A 62 -11.771 -6.450 1.999 1.00 40.23 O ATOM 1002 CB SER A 62 -12.197 -3.750 1.030 1.00 45.51 C ATOM 1003 OG SER A 62 -12.142 -2.330 0.980 1.00 43.15 O ATOM 0 H SER A 62 -10.309 -3.478 -0.542 1.00 43.11 H new ATOM 0 HA SER A 62 -10.458 -4.005 2.281 1.00 43.21 H new ATOM 0 HB2 SER A 62 -12.580 -4.137 0.086 1.00 45.51 H new ATOM 0 HB3 SER A 62 -12.892 -4.064 1.809 1.00 45.51 H new ATOM 0 HG SER A 62 -11.895 -1.981 1.862 1.00 43.15 H new ATOM 1009 N GLN A 63 -9.941 -6.543 0.694 1.00 53.54 N ATOM 1010 CA GLN A 63 -9.917 -7.999 0.668 1.00 12.41 C ATOM 1011 C GLN A 63 -8.518 -8.546 0.938 1.00 52.22 C ATOM 1012 O GLN A 63 -8.306 -9.302 1.887 1.00 52.23 O ATOM 1013 CB GLN A 63 -10.416 -8.524 -0.680 1.00 63.05 C ATOM 1014 CG GLN A 63 -11.885 -8.251 -0.955 1.00 52.11 C ATOM 1015 CD GLN A 63 -12.336 -8.819 -2.283 1.00 74.32 C ATOM 1016 OE1 GLN A 63 -12.759 -9.970 -2.364 1.00 64.23 O ATOM 1017 NE2 GLN A 63 -12.249 -8.026 -3.326 1.00 4.40 N ATOM 0 H GLN A 63 -9.186 -6.098 0.172 1.00 53.54 H new ATOM 0 HA GLN A 63 -10.581 -8.344 1.461 1.00 12.41 H new ATOM 0 HB2 GLN A 63 -9.820 -8.074 -1.474 1.00 63.05 H new ATOM 0 HB3 GLN A 63 -10.245 -9.600 -0.723 1.00 63.05 H new ATOM 0 HG2 GLN A 63 -12.488 -8.681 -0.155 1.00 52.11 H new ATOM 0 HG3 GLN A 63 -12.061 -7.175 -0.944 1.00 52.11 H new ATOM 0 HE21 GLN A 63 -11.892 -7.077 -3.217 1.00 4.40 H new ATOM 0 HE22 GLN A 63 -12.538 -8.359 -4.246 1.00 4.40 H new ATOM 1026 N PHE A 64 -7.570 -8.137 0.116 1.00 30.21 N ATOM 1027 CA PHE A 64 -6.212 -8.657 0.170 1.00 44.12 C ATOM 1028 C PHE A 64 -5.292 -7.797 1.036 1.00 3.01 C ATOM 1029 O PHE A 64 -4.068 -7.853 0.894 1.00 10.44 O ATOM 1030 CB PHE A 64 -5.638 -8.752 -1.244 1.00 32.34 C ATOM 1031 CG PHE A 64 -6.417 -9.645 -2.168 1.00 73.03 C ATOM 1032 CD1 PHE A 64 -6.125 -10.995 -2.256 1.00 2.34 C ATOM 1033 CD2 PHE A 64 -7.437 -9.133 -2.951 1.00 72.54 C ATOM 1034 CE1 PHE A 64 -6.837 -11.818 -3.108 1.00 41.01 C ATOM 1035 CE2 PHE A 64 -8.152 -9.947 -3.803 1.00 63.04 C ATOM 1036 CZ PHE A 64 -7.852 -11.293 -3.882 1.00 22.34 C ATOM 0 H PHE A 64 -7.717 -7.435 -0.609 1.00 30.21 H new ATOM 0 HA PHE A 64 -6.263 -9.646 0.626 1.00 44.12 H new ATOM 0 HB2 PHE A 64 -5.596 -7.752 -1.674 1.00 32.34 H new ATOM 0 HB3 PHE A 64 -4.613 -9.117 -1.184 1.00 32.34 H new ATOM 0 HD1 PHE A 64 -5.332 -11.410 -1.652 1.00 2.34 H new ATOM 0 HD2 PHE A 64 -7.676 -8.081 -2.894 1.00 72.54 H new ATOM 0 HE1 PHE A 64 -6.600 -12.870 -3.168 1.00 41.01 H new ATOM 0 HE2 PHE A 64 -8.945 -9.533 -4.408 1.00 63.04 H new ATOM 0 HZ PHE A 64 -8.411 -11.934 -4.548 1.00 22.34 H new ATOM 1046 N SER A 65 -5.857 -7.015 1.929 1.00 33.12 N ATOM 1047 CA SER A 65 -5.045 -6.201 2.805 1.00 52.41 C ATOM 1048 C SER A 65 -5.268 -6.594 4.251 1.00 11.35 C ATOM 1049 O SER A 65 -6.385 -6.909 4.656 1.00 54.10 O ATOM 1050 CB SER A 65 -5.324 -4.713 2.609 1.00 54.41 C ATOM 1051 OG SER A 65 -4.358 -3.925 3.292 1.00 52.33 O ATOM 0 H SER A 65 -6.864 -6.926 2.067 1.00 33.12 H new ATOM 0 HA SER A 65 -4.001 -6.379 2.547 1.00 52.41 H new ATOM 0 HB2 SER A 65 -5.310 -4.473 1.546 1.00 54.41 H new ATOM 0 HB3 SER A 65 -6.322 -4.474 2.977 1.00 54.41 H new ATOM 0 HG SER A 65 -3.547 -4.455 3.438 1.00 52.33 H new ATOM 1057 N ASP A 66 -4.200 -6.570 5.026 1.00 23.01 N ATOM 1058 CA ASP A 66 -4.262 -6.960 6.426 1.00 54.02 C ATOM 1059 C ASP A 66 -4.393 -5.727 7.319 1.00 74.03 C ATOM 1060 O ASP A 66 -4.234 -5.807 8.534 1.00 13.51 O ATOM 1061 CB ASP A 66 -3.000 -7.741 6.808 1.00 43.14 C ATOM 1062 CG ASP A 66 -2.585 -8.751 5.759 1.00 13.22 C ATOM 1063 OD1 ASP A 66 -3.245 -9.794 5.622 1.00 71.32 O ATOM 1064 OD2 ASP A 66 -1.588 -8.494 5.050 1.00 53.33 O ATOM 0 H ASP A 66 -3.274 -6.283 4.710 1.00 23.01 H new ATOM 0 HA ASP A 66 -5.137 -7.594 6.570 1.00 54.02 H new ATOM 0 HB2 ASP A 66 -2.182 -7.040 6.972 1.00 43.14 H new ATOM 0 HB3 ASP A 66 -3.172 -8.257 7.753 1.00 43.14 H new ATOM 1069 N SER A 67 -4.684 -4.594 6.709 1.00 51.41 N ATOM 1070 CA SER A 67 -4.820 -3.344 7.441 1.00 14.24 C ATOM 1071 C SER A 67 -6.282 -3.036 7.716 1.00 44.20 C ATOM 1072 O SER A 67 -7.152 -3.326 6.891 1.00 24.21 O ATOM 1073 CB SER A 67 -4.183 -2.197 6.643 1.00 15.54 C ATOM 1074 OG SER A 67 -4.380 -0.946 7.281 1.00 51.22 O ATOM 0 H SER A 67 -4.832 -4.511 5.703 1.00 51.41 H new ATOM 0 HA SER A 67 -4.305 -3.447 8.396 1.00 14.24 H new ATOM 0 HB2 SER A 67 -3.115 -2.383 6.527 1.00 15.54 H new ATOM 0 HB3 SER A 67 -4.612 -2.167 5.642 1.00 15.54 H new ATOM 0 HG SER A 67 -3.961 -0.238 6.749 1.00 51.22 H new ATOM 1080 N SER A 68 -6.554 -2.449 8.873 1.00 74.25 N ATOM 1081 CA SER A 68 -7.903 -2.059 9.242 1.00 65.22 C ATOM 1082 C SER A 68 -8.356 -0.864 8.400 1.00 31.34 C ATOM 1083 O SER A 68 -9.547 -0.563 8.314 1.00 41.32 O ATOM 1084 CB SER A 68 -7.961 -1.706 10.727 1.00 42.41 C ATOM 1085 OG SER A 68 -7.439 -2.763 11.521 1.00 42.42 O ATOM 0 H SER A 68 -5.849 -2.232 9.577 1.00 74.25 H new ATOM 0 HA SER A 68 -8.574 -2.897 9.053 1.00 65.22 H new ATOM 0 HB2 SER A 68 -7.393 -0.794 10.910 1.00 42.41 H new ATOM 0 HB3 SER A 68 -8.992 -1.503 11.017 1.00 42.41 H new ATOM 0 HG SER A 68 -7.485 -2.514 12.468 1.00 42.42 H new ATOM 1091 N SER A 69 -7.392 -0.197 7.765 1.00 63.25 N ATOM 1092 CA SER A 69 -7.680 0.942 6.912 1.00 34.25 C ATOM 1093 C SER A 69 -8.315 0.487 5.601 1.00 64.41 C ATOM 1094 O SER A 69 -8.751 1.306 4.788 1.00 1.34 O ATOM 1095 CB SER A 69 -6.406 1.723 6.631 1.00 11.02 C ATOM 1096 OG SER A 69 -5.807 2.166 7.838 1.00 70.45 O ATOM 0 H SER A 69 -6.402 -0.432 7.830 1.00 63.25 H new ATOM 0 HA SER A 69 -8.386 1.590 7.432 1.00 34.25 H new ATOM 0 HB2 SER A 69 -5.704 1.096 6.081 1.00 11.02 H new ATOM 0 HB3 SER A 69 -6.633 2.580 5.997 1.00 11.02 H new ATOM 0 HG SER A 69 -4.988 2.664 7.633 1.00 70.45 H new ATOM 1102 N ALA A 70 -8.364 -0.828 5.403 1.00 60.32 N ATOM 1103 CA ALA A 70 -8.981 -1.405 4.227 1.00 1.14 C ATOM 1104 C ALA A 70 -10.482 -1.153 4.253 1.00 2.22 C ATOM 1105 O ALA A 70 -11.141 -1.112 3.211 1.00 10.10 O ATOM 1106 CB ALA A 70 -8.691 -2.893 4.160 1.00 12.34 C ATOM 0 H ALA A 70 -7.978 -1.514 6.052 1.00 60.32 H new ATOM 0 HA ALA A 70 -8.563 -0.933 3.338 1.00 1.14 H new ATOM 0 HB1 ALA A 70 -9.160 -3.315 3.271 1.00 12.34 H new ATOM 0 HB2 ALA A 70 -7.614 -3.052 4.112 1.00 12.34 H new ATOM 0 HB3 ALA A 70 -9.091 -3.382 5.049 1.00 12.34 H new ATOM 1112 N LYS A 71 -11.008 -0.972 5.461 1.00 55.10 N ATOM 1113 CA LYS A 71 -12.412 -0.661 5.665 1.00 41.01 C ATOM 1114 C LYS A 71 -12.726 0.703 5.053 1.00 74.51 C ATOM 1115 O LYS A 71 -13.799 0.921 4.496 1.00 20.22 O ATOM 1116 CB LYS A 71 -12.724 -0.652 7.168 1.00 11.43 C ATOM 1117 CG LYS A 71 -14.197 -0.479 7.515 1.00 62.11 C ATOM 1118 CD LYS A 71 -15.018 -1.699 7.126 1.00 44.24 C ATOM 1119 CE LYS A 71 -14.589 -2.940 7.899 1.00 74.24 C ATOM 1120 NZ LYS A 71 -14.746 -2.767 9.367 1.00 75.22 N ATOM 0 H LYS A 71 -10.469 -1.038 6.324 1.00 55.10 H new ATOM 0 HA LYS A 71 -13.029 -1.418 5.181 1.00 41.01 H new ATOM 0 HB2 LYS A 71 -12.370 -1.586 7.604 1.00 11.43 H new ATOM 0 HB3 LYS A 71 -12.158 0.153 7.637 1.00 11.43 H new ATOM 0 HG2 LYS A 71 -14.299 -0.299 8.585 1.00 62.11 H new ATOM 0 HG3 LYS A 71 -14.589 0.401 7.005 1.00 62.11 H new ATOM 0 HD2 LYS A 71 -16.074 -1.501 7.313 1.00 44.24 H new ATOM 0 HD3 LYS A 71 -14.912 -1.882 6.057 1.00 44.24 H new ATOM 0 HE2 LYS A 71 -15.181 -3.794 7.570 1.00 74.24 H new ATOM 0 HE3 LYS A 71 -13.548 -3.167 7.671 1.00 74.24 H new ATOM 0 HZ1 LYS A 71 -14.657 -3.691 9.837 1.00 75.22 H new ATOM 0 HZ2 LYS A 71 -14.008 -2.125 9.722 1.00 75.22 H new ATOM 0 HZ3 LYS A 71 -15.683 -2.364 9.571 1.00 75.22 H new ATOM 1134 N ALA A 72 -11.756 1.604 5.136 1.00 34.32 N ATOM 1135 CA ALA A 72 -11.888 2.945 4.590 1.00 50.03 C ATOM 1136 C ALA A 72 -11.478 2.977 3.118 1.00 23.12 C ATOM 1137 O ALA A 72 -11.175 4.039 2.569 1.00 70.23 O ATOM 1138 CB ALA A 72 -11.039 3.917 5.395 1.00 14.00 C ATOM 0 H ALA A 72 -10.857 1.425 5.584 1.00 34.32 H new ATOM 0 HA ALA A 72 -12.934 3.244 4.657 1.00 50.03 H new ATOM 0 HB1 ALA A 72 -11.142 4.920 4.981 1.00 14.00 H new ATOM 0 HB2 ALA A 72 -11.372 3.917 6.433 1.00 14.00 H new ATOM 0 HB3 ALA A 72 -9.994 3.611 5.349 1.00 14.00 H new ATOM 1144 N ARG A 73 -11.465 1.793 2.488 1.00 11.02 N ATOM 1145 CA ARG A 73 -11.114 1.638 1.064 1.00 14.02 C ATOM 1146 C ARG A 73 -9.627 1.904 0.813 1.00 42.10 C ATOM 1147 O ARG A 73 -9.184 1.955 -0.328 1.00 72.35 O ATOM 1148 CB ARG A 73 -11.990 2.542 0.176 1.00 34.25 C ATOM 1149 CG ARG A 73 -13.475 2.214 0.248 1.00 24.05 C ATOM 1150 CD ARG A 73 -14.324 3.246 -0.480 1.00 31.41 C ATOM 1151 NE ARG A 73 -14.010 3.332 -1.909 1.00 0.54 N ATOM 1152 CZ ARG A 73 -14.922 3.406 -2.880 1.00 54.14 C ATOM 1153 NH1 ARG A 73 -16.219 3.398 -2.590 1.00 71.51 N ATOM 1154 NH2 ARG A 73 -14.532 3.495 -4.142 1.00 43.32 N ATOM 0 H ARG A 73 -11.697 0.914 2.950 1.00 11.02 H new ATOM 0 HA ARG A 73 -11.311 0.601 0.794 1.00 14.02 H new ATOM 0 HB2 ARG A 73 -11.841 3.581 0.471 1.00 34.25 H new ATOM 0 HB3 ARG A 73 -11.657 2.454 -0.858 1.00 34.25 H new ATOM 0 HG2 ARG A 73 -13.650 1.230 -0.186 1.00 24.05 H new ATOM 0 HG3 ARG A 73 -13.784 2.162 1.292 1.00 24.05 H new ATOM 0 HD2 ARG A 73 -15.378 2.994 -0.358 1.00 31.41 H new ATOM 0 HD3 ARG A 73 -14.174 4.223 -0.020 1.00 31.41 H new ATOM 0 HE ARG A 73 -13.027 3.336 -2.180 1.00 0.54 H new ATOM 0 HH11 ARG A 73 -16.524 3.335 -1.619 1.00 71.51 H new ATOM 0 HH12 ARG A 73 -16.909 3.455 -3.339 1.00 71.51 H new ATOM 0 HH21 ARG A 73 -13.538 3.507 -4.369 1.00 43.32 H new ATOM 0 HH22 ARG A 73 -15.226 3.552 -4.887 1.00 43.32 H new ATOM 1168 N GLY A 74 -8.866 2.060 1.892 1.00 40.44 N ATOM 1169 CA GLY A 74 -7.440 2.290 1.771 1.00 61.34 C ATOM 1170 C GLY A 74 -7.087 3.754 1.589 1.00 24.24 C ATOM 1171 O GLY A 74 -5.915 4.129 1.661 1.00 21.12 O ATOM 0 H GLY A 74 -9.214 2.031 2.850 1.00 40.44 H new ATOM 0 HA2 GLY A 74 -6.940 1.910 2.662 1.00 61.34 H new ATOM 0 HA3 GLY A 74 -7.057 1.722 0.923 1.00 61.34 H new ATOM 1175 N ASP A 75 -8.092 4.580 1.366 1.00 1.11 N ATOM 1176 CA ASP A 75 -7.885 6.009 1.147 1.00 32.53 C ATOM 1177 C ASP A 75 -7.781 6.766 2.462 1.00 12.41 C ATOM 1178 O ASP A 75 -8.678 6.700 3.306 1.00 54.11 O ATOM 1179 CB ASP A 75 -9.008 6.589 0.285 1.00 62.14 C ATOM 1180 CG ASP A 75 -9.039 8.109 0.286 1.00 5.23 C ATOM 1181 OD1 ASP A 75 -7.992 8.739 0.055 1.00 51.43 O ATOM 1182 OD2 ASP A 75 -10.133 8.677 0.502 1.00 44.43 O ATOM 0 H ASP A 75 -9.069 4.288 1.331 1.00 1.11 H new ATOM 0 HA ASP A 75 -6.939 6.128 0.618 1.00 32.53 H new ATOM 0 HB2 ASP A 75 -8.891 6.235 -0.739 1.00 62.14 H new ATOM 0 HB3 ASP A 75 -9.965 6.212 0.645 1.00 62.14 H new ATOM 1187 N LEU A 76 -6.680 7.479 2.627 1.00 14.13 N ATOM 1188 CA LEU A 76 -6.431 8.257 3.834 1.00 73.02 C ATOM 1189 C LEU A 76 -6.962 9.669 3.690 1.00 34.02 C ATOM 1190 O LEU A 76 -7.298 10.324 4.680 1.00 41.34 O ATOM 1191 CB LEU A 76 -4.931 8.315 4.126 1.00 73.23 C ATOM 1192 CG LEU A 76 -4.264 6.983 4.441 1.00 44.14 C ATOM 1193 CD1 LEU A 76 -2.764 7.164 4.596 1.00 54.33 C ATOM 1194 CD2 LEU A 76 -4.863 6.378 5.698 1.00 10.41 C ATOM 0 H LEU A 76 -5.935 7.537 1.933 1.00 14.13 H new ATOM 0 HA LEU A 76 -6.948 7.766 4.658 1.00 73.02 H new ATOM 0 HB2 LEU A 76 -4.429 8.756 3.265 1.00 73.23 H new ATOM 0 HB3 LEU A 76 -4.770 8.988 4.968 1.00 73.23 H new ATOM 0 HG LEU A 76 -4.442 6.299 3.611 1.00 44.14 H new ATOM 0 HD11 LEU A 76 -2.303 6.202 4.821 1.00 54.33 H new ATOM 0 HD12 LEU A 76 -2.347 7.558 3.669 1.00 54.33 H new ATOM 0 HD13 LEU A 76 -2.564 7.861 5.409 1.00 54.33 H new ATOM 0 HD21 LEU A 76 -4.377 5.426 5.911 1.00 10.41 H new ATOM 0 HD22 LEU A 76 -4.713 7.058 6.536 1.00 10.41 H new ATOM 0 HD23 LEU A 76 -5.931 6.215 5.550 1.00 10.41 H new ATOM 1206 N GLY A 77 -7.057 10.126 2.464 1.00 45.14 N ATOM 1207 CA GLY A 77 -7.475 11.475 2.215 1.00 41.43 C ATOM 1208 C GLY A 77 -6.308 12.337 1.803 1.00 14.23 C ATOM 1209 O GLY A 77 -5.221 11.825 1.532 1.00 43.34 O ATOM 0 H GLY A 77 -6.850 9.580 1.628 1.00 45.14 H new ATOM 0 HA2 GLY A 77 -8.233 11.486 1.432 1.00 41.43 H new ATOM 0 HA3 GLY A 77 -7.937 11.887 3.112 1.00 41.43 H new ATOM 1213 N ALA A 78 -6.520 13.629 1.753 1.00 40.33 N ATOM 1214 CA ALA A 78 -5.481 14.552 1.350 1.00 62.31 C ATOM 1215 C ALA A 78 -4.613 14.960 2.539 1.00 13.13 C ATOM 1216 O ALA A 78 -5.054 15.690 3.427 1.00 74.43 O ATOM 1217 CB ALA A 78 -6.093 15.770 0.678 1.00 73.20 C ATOM 0 H ALA A 78 -7.409 14.070 1.988 1.00 40.33 H new ATOM 0 HA ALA A 78 -4.835 14.048 0.631 1.00 62.31 H new ATOM 0 HB1 ALA A 78 -5.301 16.457 0.379 1.00 73.20 H new ATOM 0 HB2 ALA A 78 -6.653 15.457 -0.203 1.00 73.20 H new ATOM 0 HB3 ALA A 78 -6.764 16.271 1.375 1.00 73.20 H new ATOM 1223 N PHE A 79 -3.384 14.492 2.541 1.00 65.44 N ATOM 1224 CA PHE A 79 -2.438 14.788 3.604 1.00 3.11 C ATOM 1225 C PHE A 79 -1.238 15.541 3.043 1.00 51.33 C ATOM 1226 O PHE A 79 -1.153 15.773 1.841 1.00 14.21 O ATOM 1227 CB PHE A 79 -1.987 13.488 4.303 1.00 72.32 C ATOM 1228 CG PHE A 79 -1.321 12.480 3.394 1.00 54.40 C ATOM 1229 CD1 PHE A 79 -2.078 11.573 2.668 1.00 33.34 C ATOM 1230 CD2 PHE A 79 0.060 12.441 3.273 1.00 11.34 C ATOM 1231 CE1 PHE A 79 -1.472 10.648 1.840 1.00 72.03 C ATOM 1232 CE2 PHE A 79 0.672 11.516 2.448 1.00 10.23 C ATOM 1233 CZ PHE A 79 -0.096 10.619 1.730 1.00 42.42 C ATOM 0 H PHE A 79 -3.008 13.894 1.805 1.00 65.44 H new ATOM 0 HA PHE A 79 -2.929 15.420 4.344 1.00 3.11 H new ATOM 0 HB2 PHE A 79 -1.296 13.744 5.106 1.00 72.32 H new ATOM 0 HB3 PHE A 79 -2.856 13.021 4.767 1.00 72.32 H new ATOM 0 HD1 PHE A 79 -3.155 11.590 2.751 1.00 33.34 H new ATOM 0 HD2 PHE A 79 0.664 13.142 3.830 1.00 11.34 H new ATOM 0 HE1 PHE A 79 -2.074 9.948 1.279 1.00 72.03 H new ATOM 0 HE2 PHE A 79 1.749 11.494 2.365 1.00 10.23 H new ATOM 0 HZ PHE A 79 0.380 9.896 1.084 1.00 42.42 H new ATOM 1243 N SER A 80 -0.325 15.927 3.902 1.00 64.45 N ATOM 1244 CA SER A 80 0.855 16.633 3.468 1.00 45.25 C ATOM 1245 C SER A 80 2.062 16.163 4.267 1.00 44.44 C ATOM 1246 O SER A 80 1.924 15.347 5.181 1.00 50.43 O ATOM 1247 CB SER A 80 0.660 18.146 3.622 1.00 41.01 C ATOM 1248 OG SER A 80 1.653 18.870 2.906 1.00 4.35 O ATOM 0 H SER A 80 -0.377 15.763 4.907 1.00 64.45 H new ATOM 0 HA SER A 80 1.029 16.419 2.413 1.00 45.25 H new ATOM 0 HB2 SER A 80 -0.329 18.426 3.260 1.00 41.01 H new ATOM 0 HB3 SER A 80 0.701 18.415 4.678 1.00 41.01 H new ATOM 0 HG SER A 80 1.394 18.935 1.963 1.00 4.35 H new ATOM 1254 N ARG A 81 3.237 16.679 3.923 1.00 4.15 N ATOM 1255 CA ARG A 81 4.468 16.291 4.587 1.00 0.33 C ATOM 1256 C ARG A 81 4.430 16.610 6.080 1.00 43.20 C ATOM 1257 O ARG A 81 4.079 17.722 6.492 1.00 41.22 O ATOM 1258 CB ARG A 81 5.706 16.912 3.888 1.00 60.14 C ATOM 1259 CG ARG A 81 5.601 18.408 3.571 1.00 12.14 C ATOM 1260 CD ARG A 81 5.913 19.275 4.777 1.00 44.14 C ATOM 1261 NE ARG A 81 5.723 20.699 4.493 1.00 62.32 N ATOM 1262 CZ ARG A 81 5.653 21.647 5.427 1.00 2.31 C ATOM 1263 NH1 ARG A 81 5.777 21.326 6.710 1.00 25.12 N ATOM 1264 NH2 ARG A 81 5.463 22.916 5.078 1.00 72.31 N ATOM 0 H ARG A 81 3.359 17.371 3.183 1.00 4.15 H new ATOM 0 HA ARG A 81 4.561 15.208 4.501 1.00 0.33 H new ATOM 0 HB2 ARG A 81 6.578 16.753 4.522 1.00 60.14 H new ATOM 0 HB3 ARG A 81 5.885 16.373 2.958 1.00 60.14 H new ATOM 0 HG2 ARG A 81 6.288 18.655 2.761 1.00 12.14 H new ATOM 0 HG3 ARG A 81 4.595 18.632 3.215 1.00 12.14 H new ATOM 0 HD2 ARG A 81 5.272 18.983 5.609 1.00 44.14 H new ATOM 0 HD3 ARG A 81 6.942 19.102 5.091 1.00 44.14 H new ATOM 0 HE ARG A 81 5.639 20.984 3.517 1.00 62.32 H new ATOM 0 HH11 ARG A 81 5.926 20.354 6.980 1.00 25.12 H new ATOM 0 HH12 ARG A 81 5.723 22.052 7.425 1.00 25.12 H new ATOM 0 HH21 ARG A 81 5.370 23.166 4.093 1.00 72.31 H new ATOM 0 HH22 ARG A 81 5.410 23.640 5.795 1.00 72.31 H new ATOM 1278 N GLY A 82 4.746 15.617 6.873 1.00 20.13 N ATOM 1279 CA GLY A 82 4.747 15.776 8.301 1.00 72.12 C ATOM 1280 C GLY A 82 3.646 14.976 8.942 1.00 41.11 C ATOM 1281 O GLY A 82 3.339 15.152 10.128 1.00 72.15 O ATOM 0 H GLY A 82 5.007 14.686 6.549 1.00 20.13 H new ATOM 0 HA2 GLY A 82 5.710 15.461 8.703 1.00 72.12 H new ATOM 0 HA3 GLY A 82 4.627 16.830 8.552 1.00 72.12 H new ATOM 1285 N GLN A 83 3.040 14.094 8.164 1.00 74.43 N ATOM 1286 CA GLN A 83 1.957 13.268 8.659 1.00 45.51 C ATOM 1287 C GLN A 83 2.286 11.792 8.504 1.00 21.00 C ATOM 1288 O GLN A 83 1.897 10.965 9.335 1.00 42.14 O ATOM 1289 CB GLN A 83 0.650 13.584 7.921 1.00 13.45 C ATOM 1290 CG GLN A 83 0.224 15.045 7.997 1.00 62.41 C ATOM 1291 CD GLN A 83 -1.130 15.301 7.349 1.00 22.52 C ATOM 1292 OE1 GLN A 83 -1.367 16.365 6.776 1.00 15.23 O ATOM 1293 NE2 GLN A 83 -2.036 14.341 7.456 1.00 53.53 N ATOM 0 H GLN A 83 3.282 13.933 7.186 1.00 74.43 H new ATOM 0 HA GLN A 83 1.829 13.491 9.718 1.00 45.51 H new ATOM 0 HB2 GLN A 83 0.761 13.304 6.873 1.00 13.45 H new ATOM 0 HB3 GLN A 83 -0.146 12.964 8.334 1.00 13.45 H new ATOM 0 HG2 GLN A 83 0.185 15.353 9.042 1.00 62.41 H new ATOM 0 HG3 GLN A 83 0.977 15.664 7.510 1.00 62.41 H new ATOM 0 HE21 GLN A 83 -1.804 13.472 7.938 1.00 53.53 H new ATOM 0 HE22 GLN A 83 -2.966 14.470 7.057 1.00 53.53 H new ATOM 1302 N MET A 84 3.011 11.458 7.459 1.00 11.01 N ATOM 1303 CA MET A 84 3.318 10.075 7.169 1.00 61.02 C ATOM 1304 C MET A 84 4.815 9.784 7.343 1.00 42.32 C ATOM 1305 O MET A 84 5.625 10.700 7.458 1.00 11.31 O ATOM 1306 CB MET A 84 2.848 9.738 5.748 1.00 14.42 C ATOM 1307 CG MET A 84 3.023 8.289 5.360 1.00 20.25 C ATOM 1308 SD MET A 84 2.254 7.154 6.531 1.00 44.14 S ATOM 1309 CE MET A 84 0.532 7.639 6.398 1.00 13.44 C ATOM 0 H MET A 84 3.400 12.127 6.795 1.00 11.01 H new ATOM 0 HA MET A 84 2.788 9.440 7.879 1.00 61.02 H new ATOM 0 HB2 MET A 84 1.794 10.002 5.655 1.00 14.42 H new ATOM 0 HB3 MET A 84 3.396 10.360 5.040 1.00 14.42 H new ATOM 0 HG2 MET A 84 2.595 8.128 4.371 1.00 20.25 H new ATOM 0 HG3 MET A 84 4.087 8.063 5.287 1.00 20.25 H new ATOM 0 HE1 MET A 84 -0.094 6.897 6.894 1.00 13.44 H new ATOM 0 HE2 MET A 84 0.390 8.610 6.873 1.00 13.44 H new ATOM 0 HE3 MET A 84 0.253 7.705 5.346 1.00 13.44 H new ATOM 1319 N GLN A 85 5.164 8.502 7.400 1.00 61.23 N ATOM 1320 CA GLN A 85 6.552 8.082 7.540 1.00 0.35 C ATOM 1321 C GLN A 85 7.292 8.271 6.218 1.00 1.24 C ATOM 1322 O GLN A 85 6.700 8.123 5.153 1.00 21.32 O ATOM 1323 CB GLN A 85 6.617 6.621 7.992 1.00 25.31 C ATOM 1324 CG GLN A 85 5.868 6.363 9.291 1.00 45.24 C ATOM 1325 CD GLN A 85 5.910 4.912 9.739 1.00 12.24 C ATOM 1326 OE1 GLN A 85 4.964 4.423 10.355 1.00 40.20 O ATOM 1327 NE2 GLN A 85 7.002 4.225 9.455 1.00 54.12 N ATOM 0 H GLN A 85 4.497 7.731 7.351 1.00 61.23 H new ATOM 0 HA GLN A 85 7.036 8.698 8.298 1.00 0.35 H new ATOM 0 HB2 GLN A 85 6.203 5.986 7.209 1.00 25.31 H new ATOM 0 HB3 GLN A 85 7.660 6.332 8.118 1.00 25.31 H new ATOM 0 HG2 GLN A 85 6.292 6.989 10.076 1.00 45.24 H new ATOM 0 HG3 GLN A 85 4.828 6.667 9.168 1.00 45.24 H new ATOM 0 HE21 GLN A 85 7.764 4.668 8.942 1.00 54.12 H new ATOM 0 HE22 GLN A 85 7.083 3.252 9.749 1.00 54.12 H new ATOM 1336 N LYS A 86 8.590 8.565 6.309 1.00 2.34 N ATOM 1337 CA LYS A 86 9.452 8.873 5.141 1.00 74.35 C ATOM 1338 C LYS A 86 9.197 7.977 3.895 1.00 34.44 C ATOM 1339 O LYS A 86 8.921 8.507 2.815 1.00 35.31 O ATOM 1340 CB LYS A 86 10.938 8.819 5.543 1.00 22.34 C ATOM 1341 CG LYS A 86 11.909 9.112 4.405 1.00 33.44 C ATOM 1342 CD LYS A 86 11.843 10.568 3.966 1.00 51.34 C ATOM 1343 CE LYS A 86 12.774 10.830 2.793 1.00 63.20 C ATOM 1344 NZ LYS A 86 12.906 12.279 2.496 1.00 11.52 N ATOM 0 H LYS A 86 9.088 8.599 7.199 1.00 2.34 H new ATOM 0 HA LYS A 86 9.180 9.884 4.836 1.00 74.35 H new ATOM 0 HB2 LYS A 86 11.111 9.536 6.346 1.00 22.34 H new ATOM 0 HB3 LYS A 86 11.157 7.830 5.946 1.00 22.34 H new ATOM 0 HG2 LYS A 86 12.924 8.874 4.723 1.00 33.44 H new ATOM 0 HG3 LYS A 86 11.681 8.466 3.557 1.00 33.44 H new ATOM 0 HD2 LYS A 86 10.820 10.820 3.686 1.00 51.34 H new ATOM 0 HD3 LYS A 86 12.114 11.215 4.800 1.00 51.34 H new ATOM 0 HE2 LYS A 86 13.758 10.414 3.012 1.00 63.20 H new ATOM 0 HE3 LYS A 86 12.398 10.312 1.910 1.00 63.20 H new ATOM 0 HZ1 LYS A 86 13.550 12.411 1.690 1.00 11.52 H new ATOM 0 HZ2 LYS A 86 11.972 12.672 2.261 1.00 11.52 H new ATOM 0 HZ3 LYS A 86 13.289 12.771 3.329 1.00 11.52 H new ATOM 1358 N PRO A 87 9.274 6.615 4.022 1.00 50.44 N ATOM 1359 CA PRO A 87 9.111 5.693 2.874 1.00 1.42 C ATOM 1360 C PRO A 87 7.793 5.879 2.114 1.00 4.05 C ATOM 1361 O PRO A 87 7.718 5.619 0.915 1.00 21.21 O ATOM 1362 CB PRO A 87 9.157 4.294 3.517 1.00 40.40 C ATOM 1363 CG PRO A 87 8.931 4.528 4.971 1.00 12.15 C ATOM 1364 CD PRO A 87 9.528 5.869 5.265 1.00 14.11 C ATOM 0 HA PRO A 87 9.884 5.870 2.126 1.00 1.42 H new ATOM 0 HB2 PRO A 87 8.390 3.642 3.099 1.00 40.40 H new ATOM 0 HB3 PRO A 87 10.118 3.810 3.340 1.00 40.40 H new ATOM 0 HG2 PRO A 87 7.867 4.513 5.209 1.00 12.15 H new ATOM 0 HG3 PRO A 87 9.403 3.750 5.571 1.00 12.15 H new ATOM 0 HD2 PRO A 87 9.056 6.343 6.125 1.00 14.11 H new ATOM 0 HD3 PRO A 87 10.593 5.799 5.485 1.00 14.11 H new ATOM 1372 N PHE A 88 6.766 6.325 2.813 1.00 21.32 N ATOM 1373 CA PHE A 88 5.458 6.516 2.206 1.00 22.41 C ATOM 1374 C PHE A 88 5.239 7.999 1.882 1.00 13.34 C ATOM 1375 O PHE A 88 4.701 8.347 0.830 1.00 62.40 O ATOM 1376 CB PHE A 88 4.370 6.003 3.167 1.00 12.54 C ATOM 1377 CG PHE A 88 2.987 5.868 2.569 1.00 42.52 C ATOM 1378 CD1 PHE A 88 2.235 6.988 2.234 1.00 55.22 C ATOM 1379 CD2 PHE A 88 2.435 4.617 2.359 1.00 32.13 C ATOM 1380 CE1 PHE A 88 0.969 6.859 1.705 1.00 24.53 C ATOM 1381 CE2 PHE A 88 1.168 4.483 1.828 1.00 41.44 C ATOM 1382 CZ PHE A 88 0.434 5.605 1.500 1.00 40.03 C ATOM 0 H PHE A 88 6.811 6.563 3.804 1.00 21.32 H new ATOM 0 HA PHE A 88 5.402 5.952 1.275 1.00 22.41 H new ATOM 0 HB2 PHE A 88 4.678 5.030 3.551 1.00 12.54 H new ATOM 0 HB3 PHE A 88 4.314 6.679 4.020 1.00 12.54 H new ATOM 0 HD1 PHE A 88 2.649 7.973 2.390 1.00 55.22 H new ATOM 0 HD2 PHE A 88 3.003 3.734 2.614 1.00 32.13 H new ATOM 0 HE1 PHE A 88 0.397 7.739 1.451 1.00 24.53 H new ATOM 0 HE2 PHE A 88 0.751 3.500 1.669 1.00 41.44 H new ATOM 0 HZ PHE A 88 -0.557 5.501 1.084 1.00 40.03 H new ATOM 1392 N GLU A 89 5.685 8.853 2.794 1.00 70.41 N ATOM 1393 CA GLU A 89 5.527 10.304 2.682 1.00 72.14 C ATOM 1394 C GLU A 89 6.162 10.837 1.398 1.00 13.40 C ATOM 1395 O GLU A 89 5.471 11.337 0.510 1.00 73.42 O ATOM 1396 CB GLU A 89 6.188 10.983 3.887 1.00 71.40 C ATOM 1397 CG GLU A 89 5.885 12.465 4.016 1.00 50.33 C ATOM 1398 CD GLU A 89 4.562 12.725 4.693 1.00 72.25 C ATOM 1399 OE1 GLU A 89 3.525 12.495 4.075 1.00 75.32 O ATOM 1400 OE2 GLU A 89 4.573 13.153 5.875 1.00 3.43 O ATOM 0 H GLU A 89 6.171 8.559 3.641 1.00 70.41 H new ATOM 0 HA GLU A 89 4.460 10.527 2.657 1.00 72.14 H new ATOM 0 HB2 GLU A 89 5.863 10.478 4.797 1.00 71.40 H new ATOM 0 HB3 GLU A 89 7.268 10.850 3.817 1.00 71.40 H new ATOM 0 HG2 GLU A 89 6.681 12.948 4.583 1.00 50.33 H new ATOM 0 HG3 GLU A 89 5.878 12.919 3.025 1.00 50.33 H new ATOM 1407 N ASP A 90 7.482 10.699 1.303 1.00 55.21 N ATOM 1408 CA ASP A 90 8.241 11.229 0.172 1.00 73.23 C ATOM 1409 C ASP A 90 7.799 10.595 -1.139 1.00 12.44 C ATOM 1410 O ASP A 90 7.748 11.255 -2.176 1.00 45.14 O ATOM 1411 CB ASP A 90 9.739 11.010 0.386 1.00 21.55 C ATOM 1412 CG ASP A 90 10.588 11.752 -0.625 1.00 70.41 C ATOM 1413 OD1 ASP A 90 10.770 12.979 -0.463 1.00 43.34 O ATOM 1414 OD2 ASP A 90 11.089 11.122 -1.571 1.00 1.33 O ATOM 0 H ASP A 90 8.052 10.221 2.001 1.00 55.21 H new ATOM 0 HA ASP A 90 8.044 12.299 0.111 1.00 73.23 H new ATOM 0 HB2 ASP A 90 10.010 11.335 1.390 1.00 21.55 H new ATOM 0 HB3 ASP A 90 9.958 9.944 0.326 1.00 21.55 H new ATOM 1419 N ALA A 91 7.449 9.317 -1.075 1.00 44.12 N ATOM 1420 CA ALA A 91 7.012 8.580 -2.250 1.00 22.14 C ATOM 1421 C ALA A 91 5.695 9.132 -2.791 1.00 61.52 C ATOM 1422 O ALA A 91 5.471 9.143 -3.996 1.00 4.02 O ATOM 1423 CB ALA A 91 6.877 7.102 -1.930 1.00 73.45 C ATOM 0 H ALA A 91 7.460 8.768 -0.216 1.00 44.12 H new ATOM 0 HA ALA A 91 7.770 8.703 -3.024 1.00 22.14 H new ATOM 0 HB1 ALA A 91 6.549 6.565 -2.820 1.00 73.45 H new ATOM 0 HB2 ALA A 91 7.841 6.711 -1.605 1.00 73.45 H new ATOM 0 HB3 ALA A 91 6.144 6.967 -1.135 1.00 73.45 H new ATOM 1429 N SER A 92 4.842 9.611 -1.896 1.00 73.32 N ATOM 1430 CA SER A 92 3.547 10.161 -2.284 1.00 73.23 C ATOM 1431 C SER A 92 3.705 11.419 -3.142 1.00 70.41 C ATOM 1432 O SER A 92 2.857 11.724 -3.986 1.00 72.34 O ATOM 1433 CB SER A 92 2.709 10.461 -1.044 1.00 74.10 C ATOM 1434 OG SER A 92 2.402 9.269 -0.341 1.00 43.42 O ATOM 0 H SER A 92 5.023 9.630 -0.892 1.00 73.32 H new ATOM 0 HA SER A 92 3.032 9.413 -2.888 1.00 73.23 H new ATOM 0 HB2 SER A 92 3.251 11.144 -0.390 1.00 74.10 H new ATOM 0 HB3 SER A 92 1.787 10.964 -1.336 1.00 74.10 H new ATOM 0 HG SER A 92 3.179 8.992 0.188 1.00 43.42 H new ATOM 1440 N PHE A 93 4.799 12.136 -2.936 1.00 1.20 N ATOM 1441 CA PHE A 93 5.072 13.344 -3.697 1.00 62.04 C ATOM 1442 C PHE A 93 5.819 13.009 -4.985 1.00 15.13 C ATOM 1443 O PHE A 93 6.029 13.872 -5.838 1.00 63.14 O ATOM 1444 CB PHE A 93 5.893 14.338 -2.866 1.00 52.12 C ATOM 1445 CG PHE A 93 5.219 14.779 -1.595 1.00 12.05 C ATOM 1446 CD1 PHE A 93 4.131 15.629 -1.634 1.00 0.20 C ATOM 1447 CD2 PHE A 93 5.675 14.339 -0.365 1.00 55.52 C ATOM 1448 CE1 PHE A 93 3.508 16.035 -0.468 1.00 21.33 C ATOM 1449 CE2 PHE A 93 5.059 14.742 0.803 1.00 51.31 C ATOM 1450 CZ PHE A 93 3.973 15.590 0.750 1.00 75.14 C ATOM 0 H PHE A 93 5.513 11.901 -2.247 1.00 1.20 H new ATOM 0 HA PHE A 93 4.116 13.804 -3.950 1.00 62.04 H new ATOM 0 HB2 PHE A 93 6.852 13.883 -2.617 1.00 52.12 H new ATOM 0 HB3 PHE A 93 6.106 15.216 -3.476 1.00 52.12 H new ATOM 0 HD1 PHE A 93 3.762 15.981 -2.586 1.00 0.20 H new ATOM 0 HD2 PHE A 93 6.523 13.672 -0.318 1.00 55.52 H new ATOM 0 HE1 PHE A 93 2.658 16.700 -0.512 1.00 21.33 H new ATOM 0 HE2 PHE A 93 5.427 14.394 1.757 1.00 51.31 H new ATOM 0 HZ PHE A 93 3.488 15.905 1.662 1.00 75.14 H new ATOM 1460 N ALA A 94 6.214 11.753 -5.116 1.00 54.42 N ATOM 1461 CA ALA A 94 6.965 11.302 -6.276 1.00 74.51 C ATOM 1462 C ALA A 94 6.092 10.495 -7.225 1.00 44.41 C ATOM 1463 O ALA A 94 6.541 10.082 -8.293 1.00 2.50 O ATOM 1464 CB ALA A 94 8.156 10.472 -5.833 1.00 54.33 C ATOM 0 H ALA A 94 6.025 11.024 -4.428 1.00 54.42 H new ATOM 0 HA ALA A 94 7.317 12.184 -6.812 1.00 74.51 H new ATOM 0 HB1 ALA A 94 8.713 10.138 -6.709 1.00 54.33 H new ATOM 0 HB2 ALA A 94 8.805 11.076 -5.199 1.00 54.33 H new ATOM 0 HB3 ALA A 94 7.807 9.605 -5.273 1.00 54.33 H new ATOM 1470 N LEU A 95 4.850 10.267 -6.835 1.00 54.04 N ATOM 1471 CA LEU A 95 3.928 9.495 -7.652 1.00 14.41 C ATOM 1472 C LEU A 95 2.991 10.404 -8.428 1.00 2.54 C ATOM 1473 O LEU A 95 2.457 11.376 -7.886 1.00 24.12 O ATOM 1474 CB LEU A 95 3.117 8.525 -6.790 1.00 22.12 C ATOM 1475 CG LEU A 95 3.918 7.461 -6.041 1.00 72.05 C ATOM 1476 CD1 LEU A 95 2.994 6.598 -5.206 1.00 14.20 C ATOM 1477 CD2 LEU A 95 4.712 6.601 -7.011 1.00 74.32 C ATOM 0 H LEU A 95 4.456 10.605 -5.957 1.00 54.04 H new ATOM 0 HA LEU A 95 4.522 8.921 -8.363 1.00 14.41 H new ATOM 0 HB2 LEU A 95 2.551 9.105 -6.061 1.00 22.12 H new ATOM 0 HB3 LEU A 95 2.392 8.022 -7.429 1.00 22.12 H new ATOM 0 HG LEU A 95 4.621 7.965 -5.378 1.00 72.05 H new ATOM 0 HD11 LEU A 95 3.578 5.844 -4.678 1.00 14.20 H new ATOM 0 HD12 LEU A 95 2.468 7.222 -4.483 1.00 14.20 H new ATOM 0 HD13 LEU A 95 2.270 6.106 -5.855 1.00 14.20 H new ATOM 0 HD21 LEU A 95 5.274 5.851 -6.455 1.00 74.32 H new ATOM 0 HD22 LEU A 95 4.029 6.105 -7.701 1.00 74.32 H new ATOM 0 HD23 LEU A 95 5.403 7.230 -7.573 1.00 74.32 H new ATOM 1489 N ARG A 96 2.798 10.084 -9.692 1.00 11.14 N ATOM 1490 CA ARG A 96 1.901 10.846 -10.550 1.00 21.31 C ATOM 1491 C ARG A 96 0.537 10.157 -10.641 1.00 24.42 C ATOM 1492 O ARG A 96 0.395 9.007 -10.237 1.00 21.45 O ATOM 1493 CB ARG A 96 2.518 11.039 -11.942 1.00 1.43 C ATOM 1494 CG ARG A 96 2.898 9.746 -12.652 1.00 45.11 C ATOM 1495 CD ARG A 96 3.631 10.033 -13.953 1.00 30.11 C ATOM 1496 NE ARG A 96 4.069 8.806 -14.628 1.00 62.33 N ATOM 1497 CZ ARG A 96 4.923 8.778 -15.660 1.00 24.53 C ATOM 1498 NH1 ARG A 96 5.445 9.910 -16.135 1.00 74.41 N ATOM 1499 NH2 ARG A 96 5.262 7.618 -16.206 1.00 22.13 N ATOM 0 H ARG A 96 3.252 9.296 -10.154 1.00 11.14 H new ATOM 0 HA ARG A 96 1.753 11.833 -10.111 1.00 21.31 H new ATOM 0 HB2 ARG A 96 1.811 11.586 -12.566 1.00 1.43 H new ATOM 0 HB3 ARG A 96 3.408 11.661 -11.847 1.00 1.43 H new ATOM 0 HG2 ARG A 96 3.529 9.141 -12.001 1.00 45.11 H new ATOM 0 HG3 ARG A 96 2.001 9.163 -12.857 1.00 45.11 H new ATOM 0 HD2 ARG A 96 2.978 10.598 -14.618 1.00 30.11 H new ATOM 0 HD3 ARG A 96 4.498 10.661 -13.748 1.00 30.11 H new ATOM 0 HE ARG A 96 3.700 7.917 -14.290 1.00 62.33 H new ATOM 0 HH11 ARG A 96 5.195 10.804 -15.712 1.00 74.41 H new ATOM 0 HH12 ARG A 96 6.095 9.882 -16.921 1.00 74.41 H new ATOM 0 HH21 ARG A 96 4.873 6.749 -15.840 1.00 22.13 H new ATOM 0 HH22 ARG A 96 5.912 7.595 -16.992 1.00 22.13 H new ATOM 1513 N THR A 97 -0.458 10.864 -11.155 1.00 11.12 N ATOM 1514 CA THR A 97 -1.815 10.332 -11.258 1.00 55.21 C ATOM 1515 C THR A 97 -1.848 9.032 -12.067 1.00 33.15 C ATOM 1516 O THR A 97 -1.401 8.990 -13.219 1.00 64.15 O ATOM 1517 CB THR A 97 -2.762 11.359 -11.906 1.00 54.10 C ATOM 1518 OG1 THR A 97 -2.654 12.612 -11.218 1.00 54.01 O ATOM 1519 CG2 THR A 97 -4.204 10.877 -11.845 1.00 72.21 C ATOM 0 H THR A 97 -0.353 11.814 -11.510 1.00 11.12 H new ATOM 0 HA THR A 97 -2.153 10.122 -10.243 1.00 55.21 H new ATOM 0 HB THR A 97 -2.476 11.481 -12.951 1.00 54.10 H new ATOM 0 HG1 THR A 97 -3.530 12.864 -10.857 1.00 54.01 H new ATOM 0 HG21 THR A 97 -4.855 11.618 -12.308 1.00 72.21 H new ATOM 0 HG22 THR A 97 -4.294 9.931 -12.378 1.00 72.21 H new ATOM 0 HG23 THR A 97 -4.497 10.737 -10.805 1.00 72.21 H new ATOM 1527 N GLY A 98 -2.365 7.975 -11.454 1.00 60.14 N ATOM 1528 CA GLY A 98 -2.452 6.696 -12.129 1.00 64.24 C ATOM 1529 C GLY A 98 -1.246 5.826 -11.865 1.00 72.11 C ATOM 1530 O GLY A 98 -1.212 4.658 -12.258 1.00 14.04 O ATOM 0 H GLY A 98 -2.726 7.981 -10.500 1.00 60.14 H new ATOM 0 HA2 GLY A 98 -3.352 6.175 -11.801 1.00 64.24 H new ATOM 0 HA3 GLY A 98 -2.551 6.860 -13.202 1.00 64.24 H new ATOM 1534 N GLU A 99 -0.256 6.394 -11.202 1.00 10.12 N ATOM 1535 CA GLU A 99 0.960 5.680 -10.879 1.00 61.12 C ATOM 1536 C GLU A 99 0.847 5.060 -9.493 1.00 43.43 C ATOM 1537 O GLU A 99 0.236 5.641 -8.585 1.00 73.10 O ATOM 1538 CB GLU A 99 2.159 6.626 -10.961 1.00 14.32 C ATOM 1539 CG GLU A 99 3.496 5.976 -10.675 1.00 3.50 C ATOM 1540 CD GLU A 99 4.651 6.912 -10.931 1.00 13.42 C ATOM 1541 OE1 GLU A 99 4.697 7.992 -10.319 1.00 2.23 O ATOM 1542 OE2 GLU A 99 5.526 6.567 -11.745 1.00 34.22 O ATOM 0 H GLU A 99 -0.274 7.360 -10.874 1.00 10.12 H new ATOM 0 HA GLU A 99 1.109 4.877 -11.601 1.00 61.12 H new ATOM 0 HB2 GLU A 99 2.190 7.067 -11.958 1.00 14.32 H new ATOM 0 HB3 GLU A 99 2.009 7.443 -10.256 1.00 14.32 H new ATOM 0 HG2 GLU A 99 3.522 5.645 -9.637 1.00 3.50 H new ATOM 0 HG3 GLU A 99 3.606 5.087 -11.296 1.00 3.50 H new ATOM 1549 N MET A 100 1.417 3.887 -9.334 1.00 50.22 N ATOM 1550 CA MET A 100 1.336 3.172 -8.084 1.00 52.43 C ATOM 1551 C MET A 100 2.696 2.604 -7.692 1.00 71.44 C ATOM 1552 O MET A 100 3.419 2.066 -8.530 1.00 52.22 O ATOM 1553 CB MET A 100 0.306 2.047 -8.211 1.00 22.55 C ATOM 1554 CG MET A 100 0.098 1.235 -6.948 1.00 51.10 C ATOM 1555 SD MET A 100 -1.147 -0.052 -7.157 1.00 73.25 S ATOM 1556 CE MET A 100 -0.428 -1.004 -8.492 1.00 2.31 C ATOM 0 H MET A 100 1.945 3.406 -10.062 1.00 50.22 H new ATOM 0 HA MET A 100 1.025 3.864 -7.301 1.00 52.43 H new ATOM 0 HB2 MET A 100 -0.649 2.479 -8.511 1.00 22.55 H new ATOM 0 HB3 MET A 100 0.618 1.376 -9.011 1.00 22.55 H new ATOM 0 HG2 MET A 100 1.043 0.779 -6.653 1.00 51.10 H new ATOM 0 HG3 MET A 100 -0.202 1.899 -6.137 1.00 51.10 H new ATOM 0 HE1 MET A 100 -0.686 -2.056 -8.369 1.00 2.31 H new ATOM 0 HE2 MET A 100 -0.816 -0.644 -9.445 1.00 2.31 H new ATOM 0 HE3 MET A 100 0.656 -0.892 -8.476 1.00 2.31 H new ATOM 1566 N SER A 101 3.042 2.748 -6.427 1.00 24.24 N ATOM 1567 CA SER A 101 4.283 2.210 -5.904 1.00 61.34 C ATOM 1568 C SER A 101 3.991 0.898 -5.189 1.00 71.42 C ATOM 1569 O SER A 101 3.177 0.861 -4.265 1.00 22.12 O ATOM 1570 CB SER A 101 4.937 3.212 -4.946 1.00 13.23 C ATOM 1571 OG SER A 101 6.216 2.765 -4.520 1.00 71.03 O ATOM 0 H SER A 101 2.474 3.239 -5.736 1.00 24.24 H new ATOM 0 HA SER A 101 4.977 2.028 -6.725 1.00 61.34 H new ATOM 0 HB2 SER A 101 5.034 4.179 -5.440 1.00 13.23 H new ATOM 0 HB3 SER A 101 4.294 3.360 -4.078 1.00 13.23 H new ATOM 0 HG SER A 101 6.608 3.426 -3.912 1.00 71.03 H new ATOM 1577 N GLY A 102 4.645 -0.166 -5.617 1.00 42.45 N ATOM 1578 CA GLY A 102 4.377 -1.475 -5.055 1.00 44.21 C ATOM 1579 C GLY A 102 5.247 -1.822 -3.857 1.00 60.31 C ATOM 1580 O GLY A 102 4.780 -1.777 -2.722 1.00 54.14 O ATOM 0 H GLY A 102 5.359 -0.150 -6.345 1.00 42.45 H new ATOM 0 HA2 GLY A 102 3.330 -1.524 -4.757 1.00 44.21 H new ATOM 0 HA3 GLY A 102 4.524 -2.229 -5.829 1.00 44.21 H new ATOM 1584 N PRO A 103 6.525 -2.182 -4.077 1.00 21.45 N ATOM 1585 CA PRO A 103 7.423 -2.606 -3.003 1.00 12.14 C ATOM 1586 C PRO A 103 7.885 -1.462 -2.093 1.00 74.24 C ATOM 1587 O PRO A 103 8.948 -0.875 -2.300 1.00 65.33 O ATOM 1588 CB PRO A 103 8.626 -3.230 -3.742 1.00 52.10 C ATOM 1589 CG PRO A 103 8.231 -3.280 -5.185 1.00 44.43 C ATOM 1590 CD PRO A 103 7.196 -2.211 -5.376 1.00 33.15 C ATOM 0 HA PRO A 103 6.914 -3.294 -2.328 1.00 12.14 H new ATOM 0 HB2 PRO A 103 9.525 -2.630 -3.603 1.00 52.10 H new ATOM 0 HB3 PRO A 103 8.846 -4.227 -3.361 1.00 52.10 H new ATOM 0 HG2 PRO A 103 9.092 -3.107 -5.830 1.00 44.43 H new ATOM 0 HG3 PRO A 103 7.830 -4.260 -5.445 1.00 44.43 H new ATOM 0 HD2 PRO A 103 7.647 -1.249 -5.621 1.00 33.15 H new ATOM 0 HD3 PRO A 103 6.506 -2.455 -6.184 1.00 33.15 H new ATOM 1598 N VAL A 104 7.065 -1.130 -1.112 1.00 33.31 N ATOM 1599 CA VAL A 104 7.420 -0.133 -0.115 1.00 45.13 C ATOM 1600 C VAL A 104 7.483 -0.795 1.252 1.00 34.24 C ATOM 1601 O VAL A 104 6.453 -1.083 1.864 1.00 13.35 O ATOM 1602 CB VAL A 104 6.407 1.039 -0.076 1.00 31.53 C ATOM 1603 CG1 VAL A 104 6.789 2.053 0.998 1.00 53.44 C ATOM 1604 CG2 VAL A 104 6.319 1.711 -1.436 1.00 21.43 C ATOM 0 H VAL A 104 6.140 -1.540 -0.983 1.00 33.31 H new ATOM 0 HA VAL A 104 8.391 0.281 -0.386 1.00 45.13 H new ATOM 0 HB VAL A 104 5.427 0.633 0.174 1.00 31.53 H new ATOM 0 HG11 VAL A 104 6.063 2.866 1.006 1.00 53.44 H new ATOM 0 HG12 VAL A 104 6.798 1.565 1.973 1.00 53.44 H new ATOM 0 HG13 VAL A 104 7.780 2.454 0.784 1.00 53.44 H new ATOM 0 HG21 VAL A 104 5.603 2.532 -1.391 1.00 21.43 H new ATOM 0 HG22 VAL A 104 7.299 2.099 -1.714 1.00 21.43 H new ATOM 0 HG23 VAL A 104 5.992 0.985 -2.180 1.00 21.43 H new ATOM 1614 N PHE A 105 8.684 -1.051 1.720 1.00 63.22 N ATOM 1615 CA PHE A 105 8.875 -1.740 2.981 1.00 71.23 C ATOM 1616 C PHE A 105 8.793 -0.786 4.159 1.00 53.12 C ATOM 1617 O PHE A 105 9.525 0.200 4.231 1.00 65.34 O ATOM 1618 CB PHE A 105 10.208 -2.485 2.989 1.00 24.04 C ATOM 1619 CG PHE A 105 10.288 -3.570 1.952 1.00 72.25 C ATOM 1620 CD1 PHE A 105 9.830 -4.846 2.231 1.00 51.11 C ATOM 1621 CD2 PHE A 105 10.817 -3.311 0.699 1.00 22.21 C ATOM 1622 CE1 PHE A 105 9.898 -5.844 1.281 1.00 63.04 C ATOM 1623 CE2 PHE A 105 10.888 -4.305 -0.257 1.00 5.04 C ATOM 1624 CZ PHE A 105 10.427 -5.573 0.035 1.00 72.55 C ATOM 0 H PHE A 105 9.549 -0.792 1.245 1.00 63.22 H new ATOM 0 HA PHE A 105 8.067 -2.464 3.085 1.00 71.23 H new ATOM 0 HB2 PHE A 105 11.016 -1.772 2.822 1.00 24.04 H new ATOM 0 HB3 PHE A 105 10.366 -2.922 3.975 1.00 24.04 H new ATOM 0 HD1 PHE A 105 9.414 -5.063 3.204 1.00 51.11 H new ATOM 0 HD2 PHE A 105 11.178 -2.320 0.467 1.00 22.21 H new ATOM 0 HE1 PHE A 105 9.538 -6.836 1.512 1.00 63.04 H new ATOM 0 HE2 PHE A 105 11.303 -4.091 -1.231 1.00 5.04 H new ATOM 0 HZ PHE A 105 10.480 -6.352 -0.711 1.00 72.55 H new ATOM 1634 N THR A 106 7.886 -1.076 5.061 1.00 73.43 N ATOM 1635 CA THR A 106 7.703 -0.290 6.259 1.00 21.45 C ATOM 1636 C THR A 106 7.645 -1.239 7.474 1.00 13.53 C ATOM 1637 O THR A 106 7.957 -2.427 7.343 1.00 3.31 O ATOM 1638 CB THR A 106 6.404 0.546 6.162 1.00 63.02 C ATOM 1639 OG1 THR A 106 6.138 0.840 4.782 1.00 23.14 O ATOM 1640 CG2 THR A 106 6.543 1.864 6.918 1.00 22.32 C ATOM 0 H THR A 106 7.250 -1.869 4.984 1.00 73.43 H new ATOM 0 HA THR A 106 8.539 0.400 6.375 1.00 21.45 H new ATOM 0 HB THR A 106 5.591 -0.031 6.602 1.00 63.02 H new ATOM 0 HG1 THR A 106 5.315 1.368 4.713 1.00 23.14 H new ATOM 0 HG21 THR A 106 5.616 2.431 6.833 1.00 22.32 H new ATOM 0 HG22 THR A 106 6.749 1.661 7.969 1.00 22.32 H new ATOM 0 HG23 THR A 106 7.363 2.443 6.493 1.00 22.32 H new ATOM 1648 N ASP A 107 7.248 -0.720 8.631 1.00 44.13 N ATOM 1649 CA ASP A 107 7.197 -1.500 9.877 1.00 14.53 C ATOM 1650 C ASP A 107 6.354 -2.772 9.737 1.00 3.00 C ATOM 1651 O ASP A 107 6.837 -3.880 9.990 1.00 62.23 O ATOM 1652 CB ASP A 107 6.638 -0.642 11.018 1.00 24.32 C ATOM 1653 CG ASP A 107 7.472 0.593 11.293 1.00 10.01 C ATOM 1654 OD1 ASP A 107 7.317 1.601 10.566 1.00 44.41 O ATOM 1655 OD2 ASP A 107 8.289 0.565 12.237 1.00 0.32 O ATOM 0 H ASP A 107 6.952 0.250 8.739 1.00 44.13 H new ATOM 0 HA ASP A 107 8.220 -1.802 10.103 1.00 14.53 H new ATOM 0 HB2 ASP A 107 5.620 -0.339 10.772 1.00 24.32 H new ATOM 0 HB3 ASP A 107 6.581 -1.245 11.924 1.00 24.32 H new ATOM 1660 N SER A 108 5.105 -2.610 9.332 1.00 3.40 N ATOM 1661 CA SER A 108 4.177 -3.734 9.218 1.00 42.33 C ATOM 1662 C SER A 108 4.509 -4.660 8.045 1.00 32.22 C ATOM 1663 O SER A 108 4.261 -5.868 8.106 1.00 71.45 O ATOM 1664 CB SER A 108 2.755 -3.212 9.093 1.00 11.15 C ATOM 1665 OG SER A 108 2.707 -2.090 8.222 1.00 51.52 O ATOM 0 H SER A 108 4.705 -1.708 9.074 1.00 3.40 H new ATOM 0 HA SER A 108 4.276 -4.331 10.125 1.00 42.33 H new ATOM 0 HB2 SER A 108 2.105 -4.001 8.715 1.00 11.15 H new ATOM 0 HB3 SER A 108 2.377 -2.932 10.076 1.00 11.15 H new ATOM 0 HG SER A 108 1.784 -1.769 8.153 1.00 51.52 H new ATOM 1671 N GLY A 109 5.073 -4.106 6.995 1.00 62.30 N ATOM 1672 CA GLY A 109 5.390 -4.900 5.837 1.00 1.43 C ATOM 1673 C GLY A 109 5.435 -4.072 4.586 1.00 62.43 C ATOM 1674 O GLY A 109 5.942 -2.951 4.603 1.00 51.00 O ATOM 0 H GLY A 109 5.318 -3.119 6.922 1.00 62.30 H new ATOM 0 HA2 GLY A 109 6.353 -5.388 5.984 1.00 1.43 H new ATOM 0 HA3 GLY A 109 4.647 -5.689 5.723 1.00 1.43 H new ATOM 1678 N ILE A 110 4.888 -4.600 3.510 1.00 34.31 N ATOM 1679 CA ILE A 110 4.898 -3.903 2.241 1.00 24.44 C ATOM 1680 C ILE A 110 3.638 -3.061 2.084 1.00 71.21 C ATOM 1681 O ILE A 110 2.520 -3.551 2.270 1.00 62.54 O ATOM 1682 CB ILE A 110 5.020 -4.879 1.048 1.00 21.41 C ATOM 1683 CG1 ILE A 110 6.214 -5.822 1.247 1.00 11.40 C ATOM 1684 CG2 ILE A 110 5.165 -4.104 -0.257 1.00 43.54 C ATOM 1685 CD1 ILE A 110 6.370 -6.858 0.152 1.00 52.14 C ATOM 0 H ILE A 110 4.430 -5.511 3.490 1.00 34.31 H new ATOM 0 HA ILE A 110 5.773 -3.254 2.239 1.00 24.44 H new ATOM 0 HB ILE A 110 4.112 -5.479 0.996 1.00 21.41 H new ATOM 0 HG12 ILE A 110 7.127 -5.229 1.305 1.00 11.40 H new ATOM 0 HG13 ILE A 110 6.105 -6.333 2.204 1.00 11.40 H new ATOM 0 HG21 ILE A 110 5.250 -4.804 -1.088 1.00 43.54 H new ATOM 0 HG22 ILE A 110 4.290 -3.471 -0.403 1.00 43.54 H new ATOM 0 HG23 ILE A 110 6.059 -3.482 -0.213 1.00 43.54 H new ATOM 0 HD11 ILE A 110 7.236 -7.485 0.365 1.00 52.14 H new ATOM 0 HD12 ILE A 110 5.475 -7.478 0.107 1.00 52.14 H new ATOM 0 HD13 ILE A 110 6.512 -6.357 -0.805 1.00 52.14 H new ATOM 1697 N HIS A 111 3.827 -1.796 1.778 1.00 73.41 N ATOM 1698 CA HIS A 111 2.727 -0.873 1.581 1.00 32.14 C ATOM 1699 C HIS A 111 2.634 -0.487 0.120 1.00 43.03 C ATOM 1700 O HIS A 111 3.623 -0.087 -0.479 1.00 11.41 O ATOM 1701 CB HIS A 111 2.923 0.397 2.427 1.00 1.31 C ATOM 1702 CG HIS A 111 2.849 0.184 3.911 1.00 15.35 C ATOM 1703 ND1 HIS A 111 2.071 0.958 4.744 1.00 52.32 N ATOM 1704 CD2 HIS A 111 3.479 -0.703 4.716 1.00 22.54 C ATOM 1705 CE1 HIS A 111 2.226 0.557 5.988 1.00 63.21 C ATOM 1706 NE2 HIS A 111 3.073 -0.450 6.002 1.00 54.45 N ATOM 0 H HIS A 111 4.749 -1.376 1.658 1.00 73.41 H new ATOM 0 HA HIS A 111 1.807 -1.368 1.892 1.00 32.14 H new ATOM 0 HB2 HIS A 111 3.893 0.832 2.185 1.00 1.31 H new ATOM 0 HB3 HIS A 111 2.166 1.127 2.141 1.00 1.31 H new ATOM 0 HD2 HIS A 111 4.173 -1.469 4.404 1.00 22.54 H new ATOM 0 HE1 HIS A 111 1.739 0.983 6.853 1.00 63.21 H new ATOM 0 HE2 HIS A 111 3.378 -0.959 6.832 1.00 54.45 H new ATOM 1715 N ILE A 112 1.458 -0.607 -0.448 1.00 12.54 N ATOM 1716 CA ILE A 112 1.253 -0.223 -1.829 1.00 55.21 C ATOM 1717 C ILE A 112 0.625 1.156 -1.867 1.00 3.03 C ATOM 1718 O ILE A 112 -0.427 1.383 -1.265 1.00 11.31 O ATOM 1719 CB ILE A 112 0.339 -1.220 -2.570 1.00 44.43 C ATOM 1720 CG1 ILE A 112 0.834 -2.652 -2.370 1.00 70.30 C ATOM 1721 CG2 ILE A 112 0.290 -0.885 -4.054 1.00 72.43 C ATOM 1722 CD1 ILE A 112 -0.031 -3.695 -3.041 1.00 12.15 C ATOM 0 H ILE A 112 0.627 -0.967 0.022 1.00 12.54 H new ATOM 0 HA ILE A 112 2.221 -0.221 -2.330 1.00 55.21 H new ATOM 0 HB ILE A 112 -0.666 -1.140 -2.157 1.00 44.43 H new ATOM 0 HG12 ILE A 112 1.850 -2.733 -2.756 1.00 70.30 H new ATOM 0 HG13 ILE A 112 0.881 -2.865 -1.302 1.00 70.30 H new ATOM 0 HG21 ILE A 112 -0.358 -1.596 -4.566 1.00 72.43 H new ATOM 0 HG22 ILE A 112 -0.101 0.124 -4.187 1.00 72.43 H new ATOM 0 HG23 ILE A 112 1.294 -0.943 -4.473 1.00 72.43 H new ATOM 0 HD11 ILE A 112 0.383 -4.686 -2.855 1.00 12.15 H new ATOM 0 HD12 ILE A 112 -1.042 -3.643 -2.638 1.00 12.15 H new ATOM 0 HD13 ILE A 112 -0.058 -3.509 -4.115 1.00 12.15 H new ATOM 1734 N ILE A 113 1.277 2.072 -2.554 1.00 55.11 N ATOM 1735 CA ILE A 113 0.828 3.452 -2.608 1.00 70.03 C ATOM 1736 C ILE A 113 0.239 3.780 -3.971 1.00 71.43 C ATOM 1737 O ILE A 113 0.951 3.780 -4.977 1.00 71.43 O ATOM 1738 CB ILE A 113 1.998 4.427 -2.340 1.00 72.20 C ATOM 1739 CG1 ILE A 113 2.847 3.940 -1.162 1.00 73.25 C ATOM 1740 CG2 ILE A 113 1.464 5.829 -2.069 1.00 63.32 C ATOM 1741 CD1 ILE A 113 4.085 4.776 -0.916 1.00 42.43 C ATOM 0 H ILE A 113 2.126 1.885 -3.087 1.00 55.11 H new ATOM 0 HA ILE A 113 0.066 3.569 -1.838 1.00 70.03 H new ATOM 0 HB ILE A 113 2.631 4.460 -3.227 1.00 72.20 H new ATOM 0 HG12 ILE A 113 2.235 3.940 -0.260 1.00 73.25 H new ATOM 0 HG13 ILE A 113 3.147 2.908 -1.344 1.00 73.25 H new ATOM 0 HG21 ILE A 113 2.298 6.506 -1.882 1.00 63.32 H new ATOM 0 HG22 ILE A 113 0.901 6.178 -2.935 1.00 63.32 H new ATOM 0 HG23 ILE A 113 0.811 5.807 -1.196 1.00 63.32 H new ATOM 0 HD11 ILE A 113 4.635 4.370 -0.067 1.00 42.43 H new ATOM 0 HD12 ILE A 113 4.719 4.756 -1.802 1.00 42.43 H new ATOM 0 HD13 ILE A 113 3.793 5.804 -0.701 1.00 42.43 H new ATOM 1753 N LEU A 114 -1.049 4.050 -4.006 1.00 41.31 N ATOM 1754 CA LEU A 114 -1.710 4.423 -5.244 1.00 42.12 C ATOM 1755 C LEU A 114 -1.992 5.916 -5.269 1.00 12.25 C ATOM 1756 O LEU A 114 -2.642 6.450 -4.362 1.00 64.42 O ATOM 1757 CB LEU A 114 -3.021 3.654 -5.421 1.00 62.42 C ATOM 1758 CG LEU A 114 -3.837 4.027 -6.666 1.00 1.10 C ATOM 1759 CD1 LEU A 114 -3.120 3.600 -7.937 1.00 5.11 C ATOM 1760 CD2 LEU A 114 -5.226 3.421 -6.601 1.00 74.44 C ATOM 0 H LEU A 114 -1.662 4.019 -3.191 1.00 41.31 H new ATOM 0 HA LEU A 114 -1.040 4.169 -6.066 1.00 42.12 H new ATOM 0 HB2 LEU A 114 -2.795 2.588 -5.460 1.00 62.42 H new ATOM 0 HB3 LEU A 114 -3.640 3.816 -4.539 1.00 62.42 H new ATOM 0 HG LEU A 114 -3.940 5.112 -6.687 1.00 1.10 H new ATOM 0 HD11 LEU A 114 -3.720 3.876 -8.804 1.00 5.11 H new ATOM 0 HD12 LEU A 114 -2.152 4.097 -7.993 1.00 5.11 H new ATOM 0 HD13 LEU A 114 -2.973 2.520 -7.927 1.00 5.11 H new ATOM 0 HD21 LEU A 114 -5.786 3.699 -7.494 1.00 74.44 H new ATOM 0 HD22 LEU A 114 -5.147 2.335 -6.545 1.00 74.44 H new ATOM 0 HD23 LEU A 114 -5.744 3.793 -5.717 1.00 74.44 H new ATOM 1772 N ARG A 115 -1.499 6.587 -6.295 1.00 33.41 N ATOM 1773 CA ARG A 115 -1.737 8.006 -6.454 1.00 32.02 C ATOM 1774 C ARG A 115 -3.039 8.230 -7.214 1.00 70.21 C ATOM 1775 O ARG A 115 -3.083 8.124 -8.447 1.00 53.11 O ATOM 1776 CB ARG A 115 -0.572 8.670 -7.190 1.00 54.34 C ATOM 1777 CG ARG A 115 -0.758 10.160 -7.424 1.00 50.44 C ATOM 1778 CD ARG A 115 -0.714 10.944 -6.129 1.00 70.21 C ATOM 1779 NE ARG A 115 -1.086 12.343 -6.335 1.00 32.41 N ATOM 1780 CZ ARG A 115 -0.373 13.388 -5.923 1.00 34.20 C ATOM 1781 NH1 ARG A 115 0.827 13.207 -5.375 1.00 41.40 N ATOM 1782 NH2 ARG A 115 -0.848 14.621 -6.095 1.00 32.11 N ATOM 0 H ARG A 115 -0.930 6.168 -7.031 1.00 33.41 H new ATOM 0 HA ARG A 115 -1.819 8.459 -5.466 1.00 32.02 H new ATOM 0 HB2 ARG A 115 0.342 8.514 -6.618 1.00 54.34 H new ATOM 0 HB3 ARG A 115 -0.434 8.176 -8.152 1.00 54.34 H new ATOM 0 HG2 ARG A 115 0.021 10.522 -8.095 1.00 50.44 H new ATOM 0 HG3 ARG A 115 -1.712 10.333 -7.921 1.00 50.44 H new ATOM 0 HD2 ARG A 115 -1.390 10.490 -5.405 1.00 70.21 H new ATOM 0 HD3 ARG A 115 0.289 10.892 -5.705 1.00 70.21 H new ATOM 0 HE ARG A 115 -1.957 12.532 -6.831 1.00 32.41 H new ATOM 0 HH11 ARG A 115 1.203 12.265 -5.270 1.00 41.40 H new ATOM 0 HH12 ARG A 115 1.370 14.011 -5.060 1.00 41.40 H new ATOM 0 HH21 ARG A 115 -1.755 14.761 -6.541 1.00 32.11 H new ATOM 0 HH22 ARG A 115 -0.305 15.425 -5.781 1.00 32.11 H new ATOM 1796 N THR A 116 -4.094 8.516 -6.479 1.00 5.25 N ATOM 1797 CA THR A 116 -5.402 8.717 -7.061 1.00 34.44 C ATOM 1798 C THR A 116 -5.555 10.125 -7.634 1.00 41.45 C ATOM 1799 O THR A 116 -6.039 10.302 -8.756 1.00 33.43 O ATOM 1800 CB THR A 116 -6.504 8.460 -6.016 1.00 3.45 C ATOM 1801 OG1 THR A 116 -6.188 9.159 -4.801 1.00 45.11 O ATOM 1802 CG2 THR A 116 -6.630 6.971 -5.724 1.00 51.53 C ATOM 0 H THR A 116 -4.068 8.615 -5.464 1.00 5.25 H new ATOM 0 HA THR A 116 -5.505 8.004 -7.879 1.00 34.44 H new ATOM 0 HB THR A 116 -7.452 8.821 -6.415 1.00 3.45 H new ATOM 0 HG1 THR A 116 -6.891 8.996 -4.138 1.00 45.11 H new ATOM 0 HG21 THR A 116 -7.414 6.810 -4.984 1.00 51.53 H new ATOM 0 HG22 THR A 116 -6.884 6.440 -6.642 1.00 51.53 H new ATOM 0 HG23 THR A 116 -5.683 6.595 -5.337 1.00 51.53 H new ATOM 1810 N GLU A 117 -5.137 11.117 -6.862 1.00 40.33 N ATOM 1811 CA GLU A 117 -5.233 12.510 -7.276 1.00 4.24 C ATOM 1812 C GLU A 117 -4.213 12.830 -8.351 1.00 14.42 C ATOM 1813 O GLU A 117 -4.613 13.044 -9.509 1.00 0.00 O ATOM 1814 CB GLU A 117 -5.029 13.435 -6.082 1.00 11.22 C ATOM 1815 CG GLU A 117 -6.054 13.260 -4.981 1.00 3.45 C ATOM 1816 CD GLU A 117 -7.462 13.563 -5.429 1.00 4.22 C ATOM 1817 OE1 GLU A 117 -7.697 14.673 -5.947 1.00 72.30 O ATOM 1818 OE2 GLU A 117 -8.347 12.701 -5.242 1.00 75.44 O ATOM 1819 OXT GLU A 117 -3.012 12.863 -8.035 1.00 0.00 O ATOM 0 H GLU A 117 -4.725 10.982 -5.939 1.00 40.33 H new ATOM 0 HA GLU A 117 -6.230 12.668 -7.686 1.00 4.24 H new ATOM 0 HB2 GLU A 117 -4.035 13.263 -5.669 1.00 11.22 H new ATOM 0 HB3 GLU A 117 -5.056 14.468 -6.428 1.00 11.22 H new ATOM 0 HG2 GLU A 117 -6.009 12.236 -4.611 1.00 3.45 H new ATOM 0 HG3 GLU A 117 -5.797 13.912 -4.146 1.00 3.45 H new TER 1826 GLU A 117