USER MOD reduce.3.24.130724 H: found=0, std=0, add=1284, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1284 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 129 SER OG : rot 74:sc= 0.669 USER MOD Set 1.2: A 154 GLN : amide:sc= -0.223 K(o=0.45,f=-0.26) USER MOD Set 2.1: A 100 TYR OH : rot 180:sc= 0.358 USER MOD Set 2.2: A 112 TYR OH : rot -121:sc= -0.586 USER MOD Set 2.3: A 138 ASN : amide:sc= 0.581 K(o=0.35,f=-0.37) USER MOD Set 3.1: A 63 MET CE :methyl -178:sc= -2.4! (180deg=-2.02!) USER MOD Set 3.2: A 82 CYS SG : rot 68:sc= 0.279 USER MOD Set 4.1: A 52 LYS NZ :NH3+ 174:sc= 0.693 (180deg=-0.00359) USER MOD Set 4.2: A 84 LYS NZ :NH3+ -123:sc= 1.33 (180deg=0.093) USER MOD Set 4.3: A 88 TYR OH : rot 56:sc= 1.15 USER MOD Set 5.1: A 28 TYR OH : rot 117:sc= 0.241 USER MOD Set 5.2: A 31 ASN : amide:sc= -0.103 K(o=0.14,f=-4.2!) USER MOD Set 6.1: A 16 ASN : amide:sc= -0.0128 K(o=-0.55,f=-3.2) USER MOD Set 6.2: A 19 GLN : amide:sc= -0.537 K(o=-0.55,f=-0.039) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.154 (180deg=-0.605) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 6 HIS : no HE2:sc= 0.192 K(o=0.19,f=-0.99) USER MOD Single : A 7 HIS : no HE2:sc= -0.147 K(o=-0.15,f=-1.7) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 164:sc= -0.126 (180deg=-0.523) USER MOD Single : A 13 THR OG1 : rot -170:sc= 0.0027 USER MOD Single : A 20 MET CE :methyl -125:sc= -0.414 (180deg=-3.53!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 MET CE :methyl -144:sc= -1.06 (180deg=-3.3!) USER MOD Single : A 26 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.19) USER MOD Single : A 27 SER OG : rot -43:sc= 0.556 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.14) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot -150:sc= 1.17 USER MOD Single : A 57 THR OG1 : rot 81:sc= 0.422 USER MOD Single : A 61 HIS : no HE2:sc= 0.0264 K(o=0.026,f=-2.4) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= 0.859 (180deg=0.832) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -153:sc= -1.99 USER MOD Single : A 73 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-4.9!) USER MOD Single : A 74 ASN : amide:sc= -1.97! K(o=-2!,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -167:sc= 0.286 USER MOD Single : A 89 ASN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc=-0.00467 X(o=-0.0047,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.5!) USER MOD Single : A 101 ASN : amide:sc= -2.18 K(o=-2.2,f=-0.85) USER MOD Single : A 102 HIS : no HE2:sc= -1.65 K(o=-1.5,f=-2.5!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -160:sc= 0 USER MOD Single : A 109 SER OG : rot 162:sc= -0.0679 USER MOD Single : A 118 HIS : no HD1:sc= -0.779 K(o=-0.78,f=-2) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 GLN : amide:sc= -2.37! K(o=-2.4!,f=-0.15) USER MOD Single : A 127 HIS : no HD1:sc= -0.656 K(o=-0.66,f=-2.5!) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 137 GLN : amide:sc= 0.0132 X(o=0.013,f=0) USER MOD Single : A 139 GLN : amide:sc= -0.322 K(o=-0.32,f=-3.1!) USER MOD Single : A 147 GLN : amide:sc= -0.0238 K(o=-0.024,f=-2.7!) USER MOD Single : A 148 GLN : amide:sc= -0.415 K(o=-0.42,f=-1.7) USER MOD Single : A 149 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.057) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 84:sc= 0.299 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.645 43.733 9.309 1.00 2.25 N ATOM 2 CA MET A 1 21.735 43.805 8.139 1.00 62.14 C ATOM 3 C MET A 1 21.783 42.486 7.328 1.00 2.31 C ATOM 4 O MET A 1 22.762 42.225 6.621 1.00 23.12 O ATOM 5 CB MET A 1 22.099 45.030 7.254 1.00 20.12 C ATOM 6 CG MET A 1 21.180 45.250 6.038 1.00 24.43 C ATOM 7 SD MET A 1 21.608 46.734 5.099 1.00 74.22 S ATOM 8 CE MET A 1 21.339 48.036 6.309 1.00 23.41 C ATOM 0 H1 MET A 1 22.599 44.626 9.840 1.00 2.25 H new ATOM 0 H2 MET A 1 22.355 42.948 9.926 1.00 2.25 H new ATOM 0 H3 MET A 1 23.619 43.575 8.982 1.00 2.25 H new ATOM 0 HA MET A 1 20.712 43.935 8.493 1.00 62.14 H new ATOM 0 HB2 MET A 1 22.077 45.926 7.874 1.00 20.12 H new ATOM 0 HB3 MET A 1 23.123 44.912 6.900 1.00 20.12 H new ATOM 0 HG2 MET A 1 21.238 44.381 5.382 1.00 24.43 H new ATOM 0 HG3 MET A 1 20.147 45.325 6.377 1.00 24.43 H new ATOM 0 HE1 MET A 1 21.233 48.992 5.797 1.00 23.41 H new ATOM 0 HE2 MET A 1 20.432 47.825 6.875 1.00 23.41 H new ATOM 0 HE3 MET A 1 22.189 48.081 6.990 1.00 23.41 H new ATOM 20 N GLY A 2 20.731 41.650 7.468 1.00 21.41 N ATOM 21 CA GLY A 2 20.615 40.370 6.739 1.00 51.10 C ATOM 22 C GLY A 2 19.459 40.370 5.732 1.00 73.02 C ATOM 23 O GLY A 2 18.421 40.990 5.977 1.00 3.33 O ATOM 0 H GLY A 2 19.943 41.843 8.086 1.00 21.41 H new ATOM 0 HA2 GLY A 2 21.549 40.168 6.215 1.00 51.10 H new ATOM 0 HA3 GLY A 2 20.470 39.560 7.454 1.00 51.10 H new ATOM 27 N HIS A 3 19.634 39.665 4.599 1.00 62.10 N ATOM 28 CA HIS A 3 18.609 39.585 3.523 1.00 42.54 C ATOM 29 C HIS A 3 17.879 38.219 3.537 1.00 32.00 C ATOM 30 O HIS A 3 18.518 37.167 3.397 1.00 51.14 O ATOM 31 CB HIS A 3 19.272 39.839 2.148 1.00 22.34 C ATOM 32 CG HIS A 3 19.858 41.224 2.021 1.00 52.12 C ATOM 33 ND1 HIS A 3 21.199 41.497 2.170 1.00 42.34 N ATOM 34 CD2 HIS A 3 19.265 42.424 1.792 1.00 42.13 C ATOM 35 CE1 HIS A 3 21.402 42.788 2.040 1.00 44.33 C ATOM 36 NE2 HIS A 3 20.250 43.373 1.807 1.00 73.54 N ATOM 0 H HIS A 3 20.482 39.135 4.397 1.00 62.10 H new ATOM 0 HA HIS A 3 17.860 40.355 3.705 1.00 42.54 H new ATOM 0 HB2 HIS A 3 20.059 39.102 1.989 1.00 22.34 H new ATOM 0 HB3 HIS A 3 18.532 39.690 1.361 1.00 22.34 H new ATOM 0 HD2 HIS A 3 18.212 42.597 1.628 1.00 42.13 H new ATOM 0 HE1 HIS A 3 22.358 43.286 2.113 1.00 44.33 H new ATOM 0 HE2 HIS A 3 20.112 44.373 1.661 1.00 73.54 H new ATOM 45 N HIS A 4 16.536 38.263 3.694 1.00 73.22 N ATOM 46 CA HIS A 4 15.665 37.060 3.749 1.00 3.14 C ATOM 47 C HIS A 4 15.758 36.210 2.452 1.00 62.21 C ATOM 48 O HIS A 4 15.434 36.693 1.361 1.00 25.43 O ATOM 49 CB HIS A 4 14.185 37.476 4.001 1.00 50.14 C ATOM 50 CG HIS A 4 13.908 38.030 5.382 1.00 23.11 C ATOM 51 ND1 HIS A 4 13.560 37.236 6.459 1.00 22.42 N ATOM 52 CD2 HIS A 4 13.918 39.302 5.857 1.00 75.31 C ATOM 53 CE1 HIS A 4 13.372 37.989 7.521 1.00 71.14 C ATOM 54 NE2 HIS A 4 13.582 39.242 7.187 1.00 22.43 N ATOM 0 H HIS A 4 16.020 39.138 3.787 1.00 73.22 H new ATOM 0 HA HIS A 4 16.019 36.444 4.576 1.00 3.14 H new ATOM 0 HB2 HIS A 4 13.902 38.224 3.261 1.00 50.14 H new ATOM 0 HB3 HIS A 4 13.546 36.608 3.838 1.00 50.14 H new ATOM 0 HD2 HIS A 4 14.147 40.194 5.294 1.00 75.31 H new ATOM 0 HE1 HIS A 4 13.092 37.636 8.503 1.00 71.14 H new ATOM 0 HE2 HIS A 4 13.507 40.042 7.815 1.00 22.43 H new ATOM 63 N HIS A 5 16.200 34.946 2.589 1.00 22.12 N ATOM 64 CA HIS A 5 16.314 34.003 1.455 1.00 25.15 C ATOM 65 C HIS A 5 14.936 33.368 1.138 1.00 20.44 C ATOM 66 O HIS A 5 14.545 32.372 1.762 1.00 3.05 O ATOM 67 CB HIS A 5 17.349 32.888 1.772 1.00 53.21 C ATOM 68 CG HIS A 5 18.725 33.378 2.147 1.00 1.34 C ATOM 69 ND1 HIS A 5 19.215 33.336 3.435 1.00 35.14 N ATOM 70 CD2 HIS A 5 19.734 33.876 1.390 1.00 21.13 C ATOM 71 CE1 HIS A 5 20.455 33.780 3.447 1.00 3.32 C ATOM 72 NE2 HIS A 5 20.790 34.113 2.226 1.00 35.20 N ATOM 0 H HIS A 5 16.487 34.549 3.483 1.00 22.12 H new ATOM 0 HA HIS A 5 16.656 34.560 0.583 1.00 25.15 H new ATOM 0 HB2 HIS A 5 16.963 32.277 2.588 1.00 53.21 H new ATOM 0 HB3 HIS A 5 17.437 32.238 0.902 1.00 53.21 H new ATOM 0 HD2 HIS A 5 19.708 34.053 0.325 1.00 21.13 H new ATOM 0 HE1 HIS A 5 21.089 33.857 4.318 1.00 3.32 H new ATOM 0 HE2 HIS A 5 21.695 34.489 1.943 1.00 35.20 H new ATOM 81 N HIS A 6 14.184 33.980 0.206 1.00 31.13 N ATOM 82 CA HIS A 6 12.889 33.435 -0.255 1.00 50.53 C ATOM 83 C HIS A 6 13.119 32.413 -1.400 1.00 64.34 C ATOM 84 O HIS A 6 13.918 32.661 -2.313 1.00 41.25 O ATOM 85 CB HIS A 6 11.950 34.579 -0.726 1.00 1.22 C ATOM 86 CG HIS A 6 10.514 34.145 -0.949 1.00 11.43 C ATOM 87 ND1 HIS A 6 10.098 33.425 -2.050 1.00 42.42 N ATOM 88 CD2 HIS A 6 9.400 34.314 -0.187 1.00 52.22 C ATOM 89 CE1 HIS A 6 8.811 33.173 -1.953 1.00 51.12 C ATOM 90 NE2 HIS A 6 8.364 33.697 -0.837 1.00 15.44 N ATOM 0 H HIS A 6 14.450 34.855 -0.246 1.00 31.13 H new ATOM 0 HA HIS A 6 12.409 32.924 0.580 1.00 50.53 H new ATOM 0 HB2 HIS A 6 11.967 35.378 0.016 1.00 1.22 H new ATOM 0 HB3 HIS A 6 12.341 34.997 -1.654 1.00 1.22 H new ATOM 0 HD1 HIS A 6 10.697 33.133 -2.822 1.00 42.42 H new ATOM 0 HD2 HIS A 6 9.343 34.838 0.756 1.00 52.22 H new ATOM 0 HE1 HIS A 6 8.220 32.626 -2.673 1.00 51.12 H new ATOM 99 N HIS A 7 12.405 31.275 -1.334 1.00 64.31 N ATOM 100 CA HIS A 7 12.473 30.202 -2.346 1.00 54.42 C ATOM 101 C HIS A 7 12.035 30.708 -3.751 1.00 32.24 C ATOM 102 O HIS A 7 10.953 31.280 -3.905 1.00 75.21 O ATOM 103 CB HIS A 7 11.598 29.014 -1.887 1.00 32.55 C ATOM 104 CG HIS A 7 11.575 27.850 -2.843 1.00 71.13 C ATOM 105 ND1 HIS A 7 12.688 27.101 -3.137 1.00 35.43 N ATOM 106 CD2 HIS A 7 10.572 27.323 -3.584 1.00 44.54 C ATOM 107 CE1 HIS A 7 12.373 26.174 -4.008 1.00 35.04 C ATOM 108 NE2 HIS A 7 11.099 26.285 -4.294 1.00 21.04 N ATOM 0 H HIS A 7 11.759 31.071 -0.571 1.00 64.31 H new ATOM 0 HA HIS A 7 13.508 29.874 -2.438 1.00 54.42 H new ATOM 0 HB2 HIS A 7 11.959 28.666 -0.919 1.00 32.55 H new ATOM 0 HB3 HIS A 7 10.577 29.367 -1.739 1.00 32.55 H new ATOM 0 HD1 HIS A 7 13.616 27.244 -2.739 1.00 35.43 H new ATOM 0 HD2 HIS A 7 9.547 27.661 -3.608 1.00 44.54 H new ATOM 0 HE1 HIS A 7 13.050 25.441 -4.421 1.00 35.04 H new ATOM 117 N HIS A 8 12.897 30.481 -4.760 1.00 44.25 N ATOM 118 CA HIS A 8 12.701 31.005 -6.130 1.00 60.45 C ATOM 119 C HIS A 8 11.793 30.080 -6.989 1.00 20.21 C ATOM 120 O HIS A 8 10.813 30.551 -7.565 1.00 24.11 O ATOM 121 CB HIS A 8 14.072 31.207 -6.829 1.00 1.32 C ATOM 122 CG HIS A 8 15.013 32.157 -6.125 1.00 30.33 C ATOM 123 ND1 HIS A 8 15.085 33.504 -6.414 1.00 20.05 N ATOM 124 CD2 HIS A 8 15.941 31.941 -5.157 1.00 10.43 C ATOM 125 CE1 HIS A 8 16.006 34.068 -5.664 1.00 34.14 C ATOM 126 NE2 HIS A 8 16.539 33.146 -4.894 1.00 70.44 N ATOM 0 H HIS A 8 13.749 29.930 -4.651 1.00 44.25 H new ATOM 0 HA HIS A 8 12.194 31.966 -6.040 1.00 60.45 H new ATOM 0 HB2 HIS A 8 14.561 30.238 -6.923 1.00 1.32 H new ATOM 0 HB3 HIS A 8 13.897 31.575 -7.840 1.00 1.32 H new ATOM 0 HD2 HIS A 8 16.166 30.997 -4.683 1.00 10.43 H new ATOM 0 HE1 HIS A 8 16.279 35.113 -5.678 1.00 34.14 H new ATOM 0 HE2 HIS A 8 17.279 33.302 -4.210 1.00 70.44 H new ATOM 135 N SER A 9 12.135 28.773 -7.068 1.00 73.52 N ATOM 136 CA SER A 9 11.427 27.780 -7.941 1.00 11.20 C ATOM 137 C SER A 9 9.919 27.636 -7.597 1.00 1.31 C ATOM 138 O SER A 9 9.563 27.129 -6.532 1.00 31.35 O ATOM 139 CB SER A 9 12.110 26.393 -7.844 1.00 44.40 C ATOM 140 OG SER A 9 13.467 26.452 -8.256 1.00 24.11 O ATOM 0 H SER A 9 12.905 28.368 -6.535 1.00 73.52 H new ATOM 0 HA SER A 9 11.495 28.163 -8.959 1.00 11.20 H new ATOM 0 HB2 SER A 9 12.056 26.030 -6.818 1.00 44.40 H new ATOM 0 HB3 SER A 9 11.571 25.677 -8.464 1.00 44.40 H new ATOM 0 HG SER A 9 13.870 25.562 -8.182 1.00 24.11 H new ATOM 146 N HIS A 10 9.039 28.123 -8.495 1.00 71.30 N ATOM 147 CA HIS A 10 7.569 27.991 -8.342 1.00 32.44 C ATOM 148 C HIS A 10 7.108 26.553 -8.699 1.00 10.30 C ATOM 149 O HIS A 10 6.275 25.967 -7.999 1.00 24.04 O ATOM 150 CB HIS A 10 6.846 29.045 -9.216 1.00 30.43 C ATOM 151 CG HIS A 10 5.347 29.037 -9.072 1.00 73.10 C ATOM 152 ND1 HIS A 10 4.505 28.525 -10.030 1.00 44.44 N ATOM 153 CD2 HIS A 10 4.542 29.485 -8.076 1.00 13.31 C ATOM 154 CE1 HIS A 10 3.261 28.659 -9.642 1.00 63.05 C ATOM 155 NE2 HIS A 10 3.250 29.237 -8.459 1.00 3.11 N ATOM 0 H HIS A 10 9.321 28.616 -9.342 1.00 71.30 H new ATOM 0 HA HIS A 10 7.306 28.173 -7.300 1.00 32.44 H new ATOM 0 HB2 HIS A 10 7.220 30.035 -8.957 1.00 30.43 H new ATOM 0 HB3 HIS A 10 7.101 28.872 -10.261 1.00 30.43 H new ATOM 0 HD2 HIS A 10 4.860 29.950 -7.154 1.00 13.31 H new ATOM 0 HE1 HIS A 10 2.390 28.347 -10.199 1.00 63.05 H new ATOM 0 HE2 HIS A 10 2.416 29.463 -7.917 1.00 3.11 H new ATOM 164 N MET A 11 7.635 26.011 -9.808 1.00 72.23 N ATOM 165 CA MET A 11 7.508 24.572 -10.142 1.00 53.40 C ATOM 166 C MET A 11 8.855 23.855 -9.858 1.00 75.55 C ATOM 167 O MET A 11 9.799 23.925 -10.647 1.00 44.20 O ATOM 168 CB MET A 11 7.024 24.359 -11.613 1.00 33.53 C ATOM 169 CG MET A 11 7.822 25.103 -12.698 1.00 32.12 C ATOM 170 SD MET A 11 7.248 24.734 -14.374 1.00 4.50 S ATOM 171 CE MET A 11 5.509 25.162 -14.296 1.00 31.34 C ATOM 0 H MET A 11 8.159 26.549 -10.498 1.00 72.23 H new ATOM 0 HA MET A 11 6.741 24.128 -9.507 1.00 53.40 H new ATOM 0 HB2 MET A 11 7.055 23.292 -11.834 1.00 33.53 H new ATOM 0 HB3 MET A 11 5.981 24.668 -11.680 1.00 33.53 H new ATOM 0 HG2 MET A 11 7.750 26.176 -12.523 1.00 32.12 H new ATOM 0 HG3 MET A 11 8.876 24.837 -12.614 1.00 32.12 H new ATOM 0 HE1 MET A 11 5.111 25.254 -15.307 1.00 31.34 H new ATOM 0 HE2 MET A 11 4.966 24.382 -13.762 1.00 31.34 H new ATOM 0 HE3 MET A 11 5.391 26.110 -13.772 1.00 31.34 H new ATOM 181 N ASP A 12 8.935 23.202 -8.689 1.00 72.03 N ATOM 182 CA ASP A 12 10.147 22.493 -8.214 1.00 12.44 C ATOM 183 C ASP A 12 10.496 21.241 -9.059 1.00 4.32 C ATOM 184 O ASP A 12 9.937 21.002 -10.121 1.00 71.13 O ATOM 185 CB ASP A 12 9.938 22.097 -6.724 1.00 42.04 C ATOM 186 CG ASP A 12 10.046 23.300 -5.782 1.00 62.31 C ATOM 187 OD1 ASP A 12 9.135 24.151 -5.785 1.00 53.21 O ATOM 188 OD2 ASP A 12 11.042 23.402 -5.032 1.00 52.53 O ATOM 0 H ASP A 12 8.154 23.147 -8.035 1.00 72.03 H new ATOM 0 HA ASP A 12 10.993 23.172 -8.321 1.00 12.44 H new ATOM 0 HB2 ASP A 12 8.958 21.634 -6.607 1.00 42.04 H new ATOM 0 HB3 ASP A 12 10.679 21.350 -6.442 1.00 42.04 H new ATOM 193 N THR A 13 11.493 20.483 -8.595 1.00 23.55 N ATOM 194 CA THR A 13 11.753 19.104 -9.065 1.00 3.12 C ATOM 195 C THR A 13 11.540 18.125 -7.889 1.00 21.31 C ATOM 196 O THR A 13 11.919 18.445 -6.749 1.00 65.41 O ATOM 197 CB THR A 13 13.196 18.933 -9.684 1.00 23.03 C ATOM 198 OG1 THR A 13 13.403 17.576 -10.110 1.00 73.10 O ATOM 199 CG2 THR A 13 14.313 19.314 -8.708 1.00 10.35 C ATOM 0 H THR A 13 12.148 20.801 -7.881 1.00 23.55 H new ATOM 0 HA THR A 13 11.051 18.882 -9.869 1.00 3.12 H new ATOM 0 HB THR A 13 13.243 19.614 -10.534 1.00 23.03 H new ATOM 0 HG1 THR A 13 14.346 17.447 -10.344 1.00 73.10 H new ATOM 0 HG21 THR A 13 15.281 19.176 -9.190 1.00 10.35 H new ATOM 0 HG22 THR A 13 14.200 20.358 -8.415 1.00 10.35 H new ATOM 0 HG23 THR A 13 14.255 18.680 -7.823 1.00 10.35 H new ATOM 207 N PRO A 14 10.916 16.919 -8.132 1.00 10.52 N ATOM 208 CA PRO A 14 10.669 15.904 -7.066 1.00 24.22 C ATOM 209 C PRO A 14 11.962 15.486 -6.326 1.00 22.31 C ATOM 210 O PRO A 14 11.930 15.127 -5.154 1.00 13.45 O ATOM 211 CB PRO A 14 10.066 14.708 -7.842 1.00 32.22 C ATOM 212 CG PRO A 14 9.530 15.287 -9.117 1.00 3.20 C ATOM 213 CD PRO A 14 10.416 16.457 -9.454 1.00 61.04 C ATOM 0 HA PRO A 14 10.018 16.290 -6.281 1.00 24.22 H new ATOM 0 HB2 PRO A 14 10.822 13.949 -8.043 1.00 32.22 H new ATOM 0 HB3 PRO A 14 9.275 14.226 -7.267 1.00 32.22 H new ATOM 0 HG2 PRO A 14 9.543 14.546 -9.916 1.00 3.20 H new ATOM 0 HG3 PRO A 14 8.495 15.606 -8.995 1.00 3.20 H new ATOM 0 HD2 PRO A 14 11.235 16.162 -10.110 1.00 61.04 H new ATOM 0 HD3 PRO A 14 9.862 17.242 -9.969 1.00 61.04 H new ATOM 221 N GLU A 15 13.086 15.550 -7.066 1.00 10.14 N ATOM 222 CA GLU A 15 14.447 15.268 -6.570 1.00 11.11 C ATOM 223 C GLU A 15 14.856 16.183 -5.377 1.00 55.14 C ATOM 224 O GLU A 15 15.412 15.702 -4.383 1.00 34.53 O ATOM 225 CB GLU A 15 15.436 15.436 -7.754 1.00 10.22 C ATOM 226 CG GLU A 15 15.145 14.501 -8.950 1.00 73.21 C ATOM 227 CD GLU A 15 16.005 14.799 -10.191 1.00 13.00 C ATOM 228 OE1 GLU A 15 17.152 14.311 -10.265 1.00 32.15 O ATOM 229 OE2 GLU A 15 15.540 15.534 -11.097 1.00 42.11 O ATOM 0 H GLU A 15 13.072 15.807 -8.053 1.00 10.14 H new ATOM 0 HA GLU A 15 14.473 14.248 -6.186 1.00 11.11 H new ATOM 0 HB2 GLU A 15 15.404 16.470 -8.097 1.00 10.22 H new ATOM 0 HB3 GLU A 15 16.449 15.250 -7.398 1.00 10.22 H new ATOM 0 HG2 GLU A 15 15.312 13.469 -8.642 1.00 73.21 H new ATOM 0 HG3 GLU A 15 14.092 14.587 -9.219 1.00 73.21 H new ATOM 236 N ASN A 16 14.573 17.502 -5.486 1.00 24.21 N ATOM 237 CA ASN A 16 14.861 18.478 -4.403 1.00 64.33 C ATOM 238 C ASN A 16 13.823 18.380 -3.263 1.00 61.50 C ATOM 239 O ASN A 16 14.207 18.334 -2.083 1.00 31.44 O ATOM 240 CB ASN A 16 14.947 19.933 -4.946 1.00 24.12 C ATOM 241 CG ASN A 16 16.231 20.208 -5.732 1.00 41.24 C ATOM 242 OD1 ASN A 16 17.265 19.608 -5.488 1.00 65.11 O ATOM 243 ND2 ASN A 16 16.187 21.134 -6.661 1.00 64.21 N ATOM 0 H ASN A 16 14.145 17.918 -6.313 1.00 24.21 H new ATOM 0 HA ASN A 16 15.837 18.219 -3.993 1.00 64.33 H new ATOM 0 HB2 ASN A 16 14.087 20.126 -5.588 1.00 24.12 H new ATOM 0 HB3 ASN A 16 14.884 20.630 -4.110 1.00 24.12 H new ATOM 0 HD21 ASN A 16 17.027 21.363 -7.193 1.00 64.21 H new ATOM 0 HD22 ASN A 16 15.313 21.625 -6.851 1.00 64.21 H new ATOM 250 N VAL A 17 12.519 18.310 -3.634 1.00 63.12 N ATOM 251 CA VAL A 17 11.396 18.125 -2.670 1.00 14.11 C ATOM 252 C VAL A 17 11.698 16.963 -1.688 1.00 21.24 C ATOM 253 O VAL A 17 11.607 17.110 -0.473 1.00 64.13 O ATOM 254 CB VAL A 17 10.030 17.846 -3.423 1.00 42.42 C ATOM 255 CG1 VAL A 17 8.867 17.532 -2.440 1.00 0.14 C ATOM 256 CG2 VAL A 17 9.651 19.028 -4.353 1.00 4.15 C ATOM 0 H VAL A 17 12.214 18.380 -4.605 1.00 63.12 H new ATOM 0 HA VAL A 17 11.297 19.052 -2.105 1.00 14.11 H new ATOM 0 HB VAL A 17 10.187 16.958 -4.035 1.00 42.42 H new ATOM 0 HG11 VAL A 17 7.953 17.348 -3.005 1.00 0.14 H new ATOM 0 HG12 VAL A 17 9.115 16.647 -1.853 1.00 0.14 H new ATOM 0 HG13 VAL A 17 8.716 18.380 -1.772 1.00 0.14 H new ATOM 0 HG21 VAL A 17 8.709 18.808 -4.856 1.00 4.15 H new ATOM 0 HG22 VAL A 17 9.542 19.937 -3.761 1.00 4.15 H new ATOM 0 HG23 VAL A 17 10.435 19.172 -5.097 1.00 4.15 H new ATOM 266 N LEU A 18 12.139 15.847 -2.262 1.00 55.03 N ATOM 267 CA LEU A 18 12.480 14.625 -1.528 1.00 72.01 C ATOM 268 C LEU A 18 13.828 14.750 -0.771 1.00 40.42 C ATOM 269 O LEU A 18 13.896 14.389 0.408 1.00 33.21 O ATOM 270 CB LEU A 18 12.466 13.446 -2.529 1.00 65.45 C ATOM 271 CG LEU A 18 12.888 12.036 -2.013 1.00 64.21 C ATOM 272 CD1 LEU A 18 12.222 11.664 -0.683 1.00 14.52 C ATOM 273 CD2 LEU A 18 12.576 10.981 -3.079 1.00 70.35 C ATOM 0 H LEU A 18 12.273 15.762 -3.270 1.00 55.03 H new ATOM 0 HA LEU A 18 11.739 14.445 -0.749 1.00 72.01 H new ATOM 0 HB2 LEU A 18 11.457 13.364 -2.933 1.00 65.45 H new ATOM 0 HB3 LEU A 18 13.122 13.707 -3.360 1.00 65.45 H new ATOM 0 HG LEU A 18 13.961 12.068 -1.825 1.00 64.21 H new ATOM 0 HD11 LEU A 18 12.554 10.673 -0.375 1.00 14.52 H new ATOM 0 HD12 LEU A 18 12.499 12.393 0.079 1.00 14.52 H new ATOM 0 HD13 LEU A 18 11.139 11.662 -0.806 1.00 14.52 H new ATOM 0 HD21 LEU A 18 12.872 9.997 -2.715 1.00 70.35 H new ATOM 0 HD22 LEU A 18 11.507 10.983 -3.291 1.00 70.35 H new ATOM 0 HD23 LEU A 18 13.127 11.211 -3.991 1.00 70.35 H new ATOM 285 N GLN A 19 14.886 15.306 -1.420 1.00 22.14 N ATOM 286 CA GLN A 19 16.232 15.421 -0.781 1.00 33.44 C ATOM 287 C GLN A 19 16.206 16.299 0.496 1.00 74.43 C ATOM 288 O GLN A 19 17.097 16.179 1.346 1.00 11.52 O ATOM 289 CB GLN A 19 17.316 15.934 -1.771 1.00 41.12 C ATOM 290 CG GLN A 19 17.406 17.466 -1.916 1.00 41.21 C ATOM 291 CD GLN A 19 18.434 17.960 -2.943 1.00 20.12 C ATOM 292 OE1 GLN A 19 19.030 19.019 -2.777 1.00 73.42 O ATOM 293 NE2 GLN A 19 18.626 17.232 -4.030 1.00 12.22 N ATOM 0 H GLN A 19 14.839 15.677 -2.369 1.00 22.14 H new ATOM 0 HA GLN A 19 16.504 14.408 -0.484 1.00 33.44 H new ATOM 0 HB2 GLN A 19 18.287 15.559 -1.447 1.00 41.12 H new ATOM 0 HB3 GLN A 19 17.120 15.504 -2.753 1.00 41.12 H new ATOM 0 HG2 GLN A 19 16.424 17.848 -2.194 1.00 41.21 H new ATOM 0 HG3 GLN A 19 17.651 17.894 -0.944 1.00 41.21 H new ATOM 0 HE21 GLN A 19 18.122 16.354 -4.151 1.00 12.22 H new ATOM 0 HE22 GLN A 19 19.279 17.549 -4.747 1.00 12.22 H new ATOM 302 N MET A 20 15.188 17.188 0.609 1.00 52.44 N ATOM 303 CA MET A 20 14.973 18.011 1.818 1.00 40.12 C ATOM 304 C MET A 20 14.716 17.142 3.082 1.00 23.41 C ATOM 305 O MET A 20 15.345 17.372 4.127 1.00 72.10 O ATOM 306 CB MET A 20 13.824 19.037 1.601 1.00 24.44 C ATOM 307 CG MET A 20 14.130 20.130 0.557 1.00 24.23 C ATOM 308 SD MET A 20 12.934 21.495 0.569 1.00 44.40 S ATOM 309 CE MET A 20 11.387 20.664 0.207 1.00 53.42 C ATOM 0 H MET A 20 14.502 17.351 -0.128 1.00 52.44 H new ATOM 0 HA MET A 20 15.895 18.565 1.994 1.00 40.12 H new ATOM 0 HB2 MET A 20 12.927 18.499 1.293 1.00 24.44 H new ATOM 0 HB3 MET A 20 13.597 19.516 2.554 1.00 24.44 H new ATOM 0 HG2 MET A 20 15.127 20.529 0.742 1.00 24.23 H new ATOM 0 HG3 MET A 20 14.146 19.680 -0.435 1.00 24.23 H new ATOM 0 HE1 MET A 20 10.917 21.130 -0.659 1.00 53.42 H new ATOM 0 HE2 MET A 20 11.580 19.613 -0.007 1.00 53.42 H new ATOM 0 HE3 MET A 20 10.722 20.743 1.067 1.00 53.42 H new ATOM 319 N LEU A 21 13.803 16.142 2.995 1.00 75.42 N ATOM 320 CA LEU A 21 13.526 15.230 4.143 1.00 5.30 C ATOM 321 C LEU A 21 14.664 14.197 4.336 1.00 14.44 C ATOM 322 O LEU A 21 14.973 13.804 5.473 1.00 40.43 O ATOM 323 CB LEU A 21 12.118 14.548 4.026 1.00 62.52 C ATOM 324 CG LEU A 21 11.812 13.627 2.782 1.00 33.43 C ATOM 325 CD1 LEU A 21 12.437 12.220 2.914 1.00 24.44 C ATOM 326 CD2 LEU A 21 10.294 13.516 2.516 1.00 12.45 C ATOM 0 H LEU A 21 13.253 15.945 2.159 1.00 75.42 H new ATOM 0 HA LEU A 21 13.497 15.844 5.043 1.00 5.30 H new ATOM 0 HB2 LEU A 21 11.968 13.948 4.924 1.00 62.52 H new ATOM 0 HB3 LEU A 21 11.368 15.339 4.042 1.00 62.52 H new ATOM 0 HG LEU A 21 12.280 14.113 1.926 1.00 33.43 H new ATOM 0 HD11 LEU A 21 12.194 11.630 2.030 1.00 24.44 H new ATOM 0 HD12 LEU A 21 13.520 12.310 3.004 1.00 24.44 H new ATOM 0 HD13 LEU A 21 12.039 11.727 3.800 1.00 24.44 H new ATOM 0 HD21 LEU A 21 10.122 12.874 1.652 1.00 12.45 H new ATOM 0 HD22 LEU A 21 9.802 13.088 3.390 1.00 12.45 H new ATOM 0 HD23 LEU A 21 9.886 14.507 2.318 1.00 12.45 H new ATOM 338 N GLU A 22 15.277 13.768 3.209 1.00 4.11 N ATOM 339 CA GLU A 22 16.381 12.784 3.210 1.00 13.33 C ATOM 340 C GLU A 22 17.594 13.311 3.986 1.00 34.44 C ATOM 341 O GLU A 22 18.170 12.588 4.784 1.00 31.12 O ATOM 342 CB GLU A 22 16.814 12.408 1.771 1.00 1.21 C ATOM 343 CG GLU A 22 15.731 11.714 0.933 1.00 55.52 C ATOM 344 CD GLU A 22 16.258 11.261 -0.433 1.00 70.44 C ATOM 345 OE1 GLU A 22 16.345 12.090 -1.362 1.00 11.31 O ATOM 346 OE2 GLU A 22 16.615 10.079 -0.582 1.00 42.52 O ATOM 0 H GLU A 22 15.021 14.094 2.277 1.00 4.11 H new ATOM 0 HA GLU A 22 16.003 11.889 3.704 1.00 13.33 H new ATOM 0 HB2 GLU A 22 17.129 13.314 1.253 1.00 1.21 H new ATOM 0 HB3 GLU A 22 17.684 11.754 1.828 1.00 1.21 H new ATOM 0 HG2 GLU A 22 15.350 10.850 1.478 1.00 55.52 H new ATOM 0 HG3 GLU A 22 14.893 12.396 0.789 1.00 55.52 H new ATOM 353 N ALA A 23 17.939 14.593 3.757 1.00 51.14 N ATOM 354 CA ALA A 23 19.084 15.270 4.412 1.00 54.02 C ATOM 355 C ALA A 23 18.934 15.334 5.951 1.00 65.34 C ATOM 356 O ALA A 23 19.929 15.393 6.677 1.00 3.14 O ATOM 357 CB ALA A 23 19.251 16.679 3.823 1.00 54.31 C ATOM 0 H ALA A 23 17.430 15.195 3.109 1.00 51.14 H new ATOM 0 HA ALA A 23 19.978 14.680 4.213 1.00 54.02 H new ATOM 0 HB1 ALA A 23 20.093 17.177 4.304 1.00 54.31 H new ATOM 0 HB2 ALA A 23 19.437 16.606 2.752 1.00 54.31 H new ATOM 0 HB3 ALA A 23 18.342 17.255 3.995 1.00 54.31 H new ATOM 363 N HIS A 24 17.676 15.344 6.424 1.00 42.13 N ATOM 364 CA HIS A 24 17.340 15.224 7.858 1.00 23.13 C ATOM 365 C HIS A 24 17.411 13.740 8.317 1.00 60.41 C ATOM 366 O HIS A 24 17.840 13.436 9.433 1.00 14.33 O ATOM 367 CB HIS A 24 15.913 15.799 8.093 1.00 4.41 C ATOM 368 CG HIS A 24 15.438 15.827 9.536 1.00 11.31 C ATOM 369 ND1 HIS A 24 15.442 16.971 10.308 1.00 65.52 N ATOM 370 CD2 HIS A 24 14.922 14.853 10.338 1.00 74.31 C ATOM 371 CE1 HIS A 24 14.955 16.702 11.500 1.00 54.13 C ATOM 372 NE2 HIS A 24 14.637 15.429 11.543 1.00 71.14 N ATOM 0 H HIS A 24 16.858 15.436 5.822 1.00 42.13 H new ATOM 0 HA HIS A 24 18.063 15.789 8.446 1.00 23.13 H new ATOM 0 HB2 HIS A 24 15.883 16.816 7.701 1.00 4.41 H new ATOM 0 HB3 HIS A 24 15.205 15.211 7.509 1.00 4.41 H new ATOM 0 HD2 HIS A 24 14.767 13.818 10.070 1.00 74.31 H new ATOM 0 HE1 HIS A 24 14.837 17.409 12.307 1.00 54.13 H new ATOM 0 HE2 HIS A 24 14.240 14.946 12.349 1.00 71.14 H new ATOM 381 N MET A 25 16.969 12.832 7.433 1.00 33.24 N ATOM 382 CA MET A 25 16.770 11.402 7.762 1.00 32.10 C ATOM 383 C MET A 25 18.084 10.567 7.769 1.00 43.41 C ATOM 384 O MET A 25 18.137 9.526 8.437 1.00 1.43 O ATOM 385 CB MET A 25 15.728 10.818 6.781 1.00 42.23 C ATOM 386 CG MET A 25 15.134 9.457 7.181 1.00 1.24 C ATOM 387 SD MET A 25 13.539 9.162 6.401 1.00 25.13 S ATOM 388 CE MET A 25 12.601 10.551 7.053 1.00 51.11 C ATOM 0 H MET A 25 16.738 13.064 6.467 1.00 33.24 H new ATOM 0 HA MET A 25 16.404 11.340 8.787 1.00 32.10 H new ATOM 0 HB2 MET A 25 14.913 11.534 6.675 1.00 42.23 H new ATOM 0 HB3 MET A 25 16.194 10.718 5.801 1.00 42.23 H new ATOM 0 HG2 MET A 25 15.827 8.663 6.902 1.00 1.24 H new ATOM 0 HG3 MET A 25 15.021 9.415 8.264 1.00 1.24 H new ATOM 0 HE1 MET A 25 11.572 10.241 7.237 1.00 51.11 H new ATOM 0 HE2 MET A 25 13.051 10.888 7.987 1.00 51.11 H new ATOM 0 HE3 MET A 25 12.610 11.367 6.331 1.00 51.11 H new ATOM 398 N GLN A 26 19.113 11.010 7.006 1.00 0.42 N ATOM 399 CA GLN A 26 20.449 10.342 6.953 1.00 43.34 C ATOM 400 C GLN A 26 21.050 10.058 8.357 1.00 13.24 C ATOM 401 O GLN A 26 21.611 8.987 8.593 1.00 62.33 O ATOM 402 CB GLN A 26 21.477 11.167 6.123 1.00 42.00 C ATOM 403 CG GLN A 26 21.070 11.498 4.670 1.00 55.34 C ATOM 404 CD GLN A 26 20.633 10.297 3.812 1.00 64.12 C ATOM 405 OE1 GLN A 26 21.083 9.174 3.995 1.00 33.13 O ATOM 406 NE2 GLN A 26 19.752 10.539 2.861 1.00 2.44 N ATOM 0 H GLN A 26 19.047 11.836 6.411 1.00 0.42 H new ATOM 0 HA GLN A 26 20.265 9.386 6.463 1.00 43.34 H new ATOM 0 HB2 GLN A 26 21.668 12.103 6.647 1.00 42.00 H new ATOM 0 HB3 GLN A 26 22.418 10.617 6.099 1.00 42.00 H new ATOM 0 HG2 GLN A 26 20.253 12.220 4.696 1.00 55.34 H new ATOM 0 HG3 GLN A 26 21.911 11.986 4.178 1.00 55.34 H new ATOM 0 HE21 GLN A 26 19.392 11.484 2.728 1.00 2.44 H new ATOM 0 HE22 GLN A 26 19.431 9.781 2.258 1.00 2.44 H new ATOM 415 N SER A 27 20.938 11.031 9.276 1.00 23.35 N ATOM 416 CA SER A 27 21.419 10.882 10.679 1.00 63.42 C ATOM 417 C SER A 27 20.231 10.845 11.673 1.00 12.44 C ATOM 418 O SER A 27 20.391 11.124 12.865 1.00 42.24 O ATOM 419 CB SER A 27 22.412 12.022 11.029 1.00 21.10 C ATOM 420 OG SER A 27 23.016 11.825 12.302 1.00 13.40 O ATOM 0 H SER A 27 20.517 11.939 9.080 1.00 23.35 H new ATOM 0 HA SER A 27 21.946 9.932 10.766 1.00 63.42 H new ATOM 0 HB2 SER A 27 23.186 12.077 10.264 1.00 21.10 H new ATOM 0 HB3 SER A 27 21.887 12.977 11.020 1.00 21.10 H new ATOM 0 HG SER A 27 22.336 11.535 12.945 1.00 13.40 H new ATOM 426 N TYR A 28 19.038 10.451 11.178 1.00 10.20 N ATOM 427 CA TYR A 28 17.834 10.258 12.021 1.00 43.15 C ATOM 428 C TYR A 28 17.544 8.747 12.175 1.00 63.34 C ATOM 429 O TYR A 28 17.270 8.053 11.192 1.00 64.23 O ATOM 430 CB TYR A 28 16.587 10.983 11.430 1.00 11.30 C ATOM 431 CG TYR A 28 15.303 10.828 12.286 1.00 1.50 C ATOM 432 CD1 TYR A 28 14.987 11.741 13.300 1.00 15.12 C ATOM 433 CD2 TYR A 28 14.429 9.747 12.102 1.00 73.12 C ATOM 434 CE1 TYR A 28 13.861 11.575 14.089 1.00 13.15 C ATOM 435 CE2 TYR A 28 13.306 9.588 12.885 1.00 13.11 C ATOM 436 CZ TYR A 28 13.024 10.498 13.876 1.00 24.32 C ATOM 437 OH TYR A 28 11.906 10.313 14.664 1.00 11.41 O ATOM 0 H TYR A 28 18.881 10.258 10.189 1.00 10.20 H new ATOM 0 HA TYR A 28 18.036 10.698 12.998 1.00 43.15 H new ATOM 0 HB2 TYR A 28 16.813 12.044 11.322 1.00 11.30 H new ATOM 0 HB3 TYR A 28 16.394 10.595 10.430 1.00 11.30 H new ATOM 0 HD1 TYR A 28 15.633 12.590 13.470 1.00 15.12 H new ATOM 0 HD2 TYR A 28 14.641 9.023 11.329 1.00 73.12 H new ATOM 0 HE1 TYR A 28 13.638 12.287 14.870 1.00 13.15 H new ATOM 0 HE2 TYR A 28 12.647 8.748 12.720 1.00 13.11 H new ATOM 0 HH TYR A 28 11.101 10.374 14.109 1.00 11.41 H new ATOM 447 N LYS A 29 17.593 8.270 13.423 1.00 3.11 N ATOM 448 CA LYS A 29 17.222 6.894 13.801 1.00 13.10 C ATOM 449 C LYS A 29 16.498 6.993 15.161 1.00 35.12 C ATOM 450 O LYS A 29 17.147 7.113 16.207 1.00 51.41 O ATOM 451 CB LYS A 29 18.501 5.985 13.854 1.00 14.24 C ATOM 452 CG LYS A 29 18.278 4.441 13.872 1.00 54.14 C ATOM 453 CD LYS A 29 17.616 3.914 15.168 1.00 22.00 C ATOM 454 CE LYS A 29 17.660 2.384 15.295 1.00 51.42 C ATOM 455 NZ LYS A 29 16.874 1.703 14.237 1.00 5.11 N ATOM 0 H LYS A 29 17.896 8.836 14.216 1.00 3.11 H new ATOM 0 HA LYS A 29 16.559 6.430 13.071 1.00 13.10 H new ATOM 0 HB2 LYS A 29 19.123 6.226 12.992 1.00 14.24 H new ATOM 0 HB3 LYS A 29 19.070 6.255 14.744 1.00 14.24 H new ATOM 0 HG2 LYS A 29 17.656 4.164 13.021 1.00 54.14 H new ATOM 0 HG3 LYS A 29 19.239 3.944 13.740 1.00 54.14 H new ATOM 0 HD2 LYS A 29 18.116 4.357 16.029 1.00 22.00 H new ATOM 0 HD3 LYS A 29 16.578 4.244 15.197 1.00 22.00 H new ATOM 0 HE2 LYS A 29 18.696 2.048 15.246 1.00 51.42 H new ATOM 0 HE3 LYS A 29 17.276 2.093 16.273 1.00 51.42 H new ATOM 0 HZ1 LYS A 29 16.936 0.673 14.367 1.00 5.11 H new ATOM 0 HZ2 LYS A 29 15.879 2.000 14.298 1.00 5.11 H new ATOM 0 HZ3 LYS A 29 17.255 1.957 13.303 1.00 5.11 H new ATOM 469 N GLY A 30 15.152 6.982 15.129 1.00 74.32 N ATOM 470 CA GLY A 30 14.340 7.170 16.335 1.00 64.32 C ATOM 471 C GLY A 30 12.932 6.584 16.231 1.00 21.34 C ATOM 472 O GLY A 30 12.730 5.572 15.554 1.00 70.23 O ATOM 0 H GLY A 30 14.608 6.844 14.277 1.00 74.32 H new ATOM 0 HA2 GLY A 30 14.852 6.712 17.181 1.00 64.32 H new ATOM 0 HA3 GLY A 30 14.264 8.236 16.548 1.00 64.32 H new ATOM 476 N ASN A 31 11.959 7.241 16.894 1.00 10.14 N ATOM 477 CA ASN A 31 10.573 6.725 17.046 1.00 3.42 C ATOM 478 C ASN A 31 9.791 6.669 15.710 1.00 14.42 C ATOM 479 O ASN A 31 9.216 5.626 15.367 1.00 54.33 O ATOM 480 CB ASN A 31 9.775 7.553 18.104 1.00 72.43 C ATOM 481 CG ASN A 31 9.650 9.053 17.790 1.00 62.15 C ATOM 482 OD1 ASN A 31 10.544 9.667 17.223 1.00 11.14 O ATOM 483 ND2 ASN A 31 8.535 9.655 18.149 1.00 63.51 N ATOM 0 H ASN A 31 12.107 8.146 17.341 1.00 10.14 H new ATOM 0 HA ASN A 31 10.675 5.698 17.397 1.00 3.42 H new ATOM 0 HB2 ASN A 31 8.774 7.131 18.195 1.00 72.43 H new ATOM 0 HB3 ASN A 31 10.259 7.439 19.074 1.00 72.43 H new ATOM 0 HD21 ASN A 31 8.406 10.648 17.955 1.00 63.51 H new ATOM 0 HD22 ASN A 31 7.800 9.128 18.621 1.00 63.51 H new ATOM 490 N ASP A 32 9.791 7.785 14.950 1.00 41.24 N ATOM 491 CA ASP A 32 8.908 7.937 13.779 1.00 14.11 C ATOM 492 C ASP A 32 9.548 8.837 12.685 1.00 2.02 C ATOM 493 O ASP A 32 9.487 10.065 12.767 1.00 23.40 O ATOM 494 CB ASP A 32 7.537 8.497 14.253 1.00 62.42 C ATOM 495 CG ASP A 32 6.442 8.387 13.184 1.00 73.32 C ATOM 496 OD1 ASP A 32 5.800 7.323 13.085 1.00 4.33 O ATOM 497 OD2 ASP A 32 6.224 9.353 12.436 1.00 64.30 O ATOM 0 H ASP A 32 10.391 8.590 15.127 1.00 41.24 H new ATOM 0 HA ASP A 32 8.758 6.961 13.318 1.00 14.11 H new ATOM 0 HB2 ASP A 32 7.220 7.959 15.146 1.00 62.42 H new ATOM 0 HB3 ASP A 32 7.656 9.543 14.537 1.00 62.42 H new ATOM 502 N PRO A 33 10.247 8.234 11.674 1.00 34.41 N ATOM 503 CA PRO A 33 10.663 8.960 10.447 1.00 54.22 C ATOM 504 C PRO A 33 9.513 9.169 9.417 1.00 5.22 C ATOM 505 O PRO A 33 9.647 9.999 8.516 1.00 64.14 O ATOM 506 CB PRO A 33 11.786 8.055 9.879 1.00 34.45 C ATOM 507 CG PRO A 33 11.460 6.672 10.363 1.00 34.14 C ATOM 508 CD PRO A 33 10.783 6.844 11.707 1.00 1.03 C ATOM 0 HA PRO A 33 10.982 9.979 10.666 1.00 54.22 H new ATOM 0 HB2 PRO A 33 11.811 8.095 8.790 1.00 34.45 H new ATOM 0 HB3 PRO A 33 12.766 8.375 10.233 1.00 34.45 H new ATOM 0 HG2 PRO A 33 10.805 6.158 9.660 1.00 34.14 H new ATOM 0 HG3 PRO A 33 12.363 6.069 10.456 1.00 34.14 H new ATOM 0 HD2 PRO A 33 9.986 6.114 11.847 1.00 1.03 H new ATOM 0 HD3 PRO A 33 11.488 6.709 12.528 1.00 1.03 H new ATOM 516 N LEU A 34 8.394 8.416 9.560 1.00 73.11 N ATOM 517 CA LEU A 34 7.243 8.474 8.610 1.00 2.50 C ATOM 518 C LEU A 34 6.587 9.867 8.576 1.00 14.22 C ATOM 519 O LEU A 34 6.228 10.357 7.500 1.00 31.11 O ATOM 520 CB LEU A 34 6.190 7.393 8.976 1.00 12.03 C ATOM 521 CG LEU A 34 4.933 7.280 8.040 1.00 74.04 C ATOM 522 CD1 LEU A 34 5.327 7.002 6.577 1.00 2.11 C ATOM 523 CD2 LEU A 34 3.940 6.215 8.551 1.00 5.41 C ATOM 0 H LEU A 34 8.259 7.757 10.327 1.00 73.11 H new ATOM 0 HA LEU A 34 7.634 8.275 7.612 1.00 2.50 H new ATOM 0 HB2 LEU A 34 6.690 6.424 8.992 1.00 12.03 H new ATOM 0 HB3 LEU A 34 5.841 7.588 9.990 1.00 12.03 H new ATOM 0 HG LEU A 34 4.433 8.248 8.068 1.00 74.04 H new ATOM 0 HD11 LEU A 34 4.428 6.931 5.965 1.00 2.11 H new ATOM 0 HD12 LEU A 34 5.954 7.814 6.208 1.00 2.11 H new ATOM 0 HD13 LEU A 34 5.879 6.064 6.521 1.00 2.11 H new ATOM 0 HD21 LEU A 34 3.083 6.164 7.879 1.00 5.41 H new ATOM 0 HD22 LEU A 34 4.433 5.244 8.584 1.00 5.41 H new ATOM 0 HD23 LEU A 34 3.601 6.484 9.552 1.00 5.41 H new ATOM 535 N GLY A 35 6.478 10.492 9.767 1.00 5.43 N ATOM 536 CA GLY A 35 5.887 11.826 9.930 1.00 45.25 C ATOM 537 C GLY A 35 6.513 12.881 9.023 1.00 33.13 C ATOM 538 O GLY A 35 5.796 13.687 8.441 1.00 54.15 O ATOM 0 H GLY A 35 6.800 10.079 10.642 1.00 5.43 H new ATOM 0 HA2 GLY A 35 4.818 11.769 9.725 1.00 45.25 H new ATOM 0 HA3 GLY A 35 5.996 12.139 10.968 1.00 45.25 H new ATOM 542 N GLU A 36 7.863 12.817 8.880 1.00 22.24 N ATOM 543 CA GLU A 36 8.641 13.667 7.945 1.00 23.20 C ATOM 544 C GLU A 36 8.093 13.584 6.507 1.00 11.34 C ATOM 545 O GLU A 36 7.788 14.607 5.899 1.00 3.12 O ATOM 546 CB GLU A 36 10.143 13.247 7.953 1.00 22.24 C ATOM 547 CG GLU A 36 10.891 13.522 9.276 1.00 73.13 C ATOM 548 CD GLU A 36 11.083 15.026 9.556 1.00 52.51 C ATOM 549 OE1 GLU A 36 12.034 15.624 9.007 1.00 23.03 O ATOM 550 OE2 GLU A 36 10.276 15.618 10.307 1.00 75.23 O ATOM 0 H GLU A 36 8.443 12.170 9.414 1.00 22.24 H new ATOM 0 HA GLU A 36 8.545 14.697 8.288 1.00 23.20 H new ATOM 0 HB2 GLU A 36 10.208 12.182 7.731 1.00 22.24 H new ATOM 0 HB3 GLU A 36 10.656 13.772 7.147 1.00 22.24 H new ATOM 0 HG2 GLU A 36 10.338 13.072 10.100 1.00 73.13 H new ATOM 0 HG3 GLU A 36 11.866 13.036 9.244 1.00 73.13 H new ATOM 557 N TRP A 37 7.950 12.347 5.993 1.00 65.21 N ATOM 558 CA TRP A 37 7.434 12.091 4.628 1.00 24.42 C ATOM 559 C TRP A 37 6.010 12.634 4.443 1.00 30.33 C ATOM 560 O TRP A 37 5.750 13.344 3.484 1.00 73.34 O ATOM 561 CB TRP A 37 7.434 10.581 4.320 1.00 34.54 C ATOM 562 CG TRP A 37 8.806 9.964 4.264 1.00 50.02 C ATOM 563 CD1 TRP A 37 9.585 9.601 5.315 1.00 42.02 C ATOM 564 CD2 TRP A 37 9.546 9.625 3.086 1.00 3.42 C ATOM 565 NE1 TRP A 37 10.761 9.066 4.865 1.00 53.30 N ATOM 566 CE2 TRP A 37 10.759 9.061 3.506 1.00 63.14 C ATOM 567 CE3 TRP A 37 9.297 9.741 1.721 1.00 41.23 C ATOM 568 CZ2 TRP A 37 11.725 8.611 2.615 1.00 71.11 C ATOM 569 CZ3 TRP A 37 10.254 9.294 0.837 1.00 74.11 C ATOM 570 CH2 TRP A 37 11.455 8.734 1.287 1.00 61.31 C ATOM 0 H TRP A 37 8.187 11.499 6.507 1.00 65.21 H new ATOM 0 HA TRP A 37 8.099 12.611 3.938 1.00 24.42 H new ATOM 0 HB2 TRP A 37 6.847 10.066 5.081 1.00 34.54 H new ATOM 0 HB3 TRP A 37 6.934 10.416 3.366 1.00 34.54 H new ATOM 0 HD1 TRP A 37 9.316 9.718 6.354 1.00 42.02 H new ATOM 0 HE1 TRP A 37 11.519 8.725 5.456 1.00 53.30 H new ATOM 0 HE3 TRP A 37 8.374 10.172 1.363 1.00 41.23 H new ATOM 0 HZ2 TRP A 37 12.653 8.181 2.962 1.00 71.11 H new ATOM 0 HZ3 TRP A 37 10.074 9.377 -0.225 1.00 74.11 H new ATOM 0 HH2 TRP A 37 12.182 8.392 0.565 1.00 61.31 H new ATOM 581 N GLU A 38 5.115 12.294 5.390 1.00 24.53 N ATOM 582 CA GLU A 38 3.671 12.633 5.330 1.00 3.14 C ATOM 583 C GLU A 38 3.422 14.143 5.141 1.00 12.34 C ATOM 584 O GLU A 38 2.488 14.539 4.419 1.00 64.33 O ATOM 585 CB GLU A 38 2.967 12.130 6.612 1.00 41.35 C ATOM 586 CG GLU A 38 3.071 10.610 6.818 1.00 61.15 C ATOM 587 CD GLU A 38 2.389 10.140 8.104 1.00 50.33 C ATOM 588 OE1 GLU A 38 3.036 10.155 9.165 1.00 44.24 O ATOM 589 OE2 GLU A 38 1.189 9.789 8.067 1.00 21.34 O ATOM 0 H GLU A 38 5.371 11.772 6.228 1.00 24.53 H new ATOM 0 HA GLU A 38 3.254 12.134 4.455 1.00 3.14 H new ATOM 0 HB2 GLU A 38 3.400 12.635 7.476 1.00 41.35 H new ATOM 0 HB3 GLU A 38 1.915 12.411 6.572 1.00 41.35 H new ATOM 0 HG2 GLU A 38 2.621 10.100 5.966 1.00 61.15 H new ATOM 0 HG3 GLU A 38 4.122 10.322 6.843 1.00 61.15 H new ATOM 596 N ARG A 39 4.285 14.975 5.774 1.00 3.04 N ATOM 597 CA ARG A 39 4.249 16.446 5.611 1.00 34.22 C ATOM 598 C ARG A 39 4.401 16.825 4.125 1.00 34.40 C ATOM 599 O ARG A 39 3.641 17.638 3.610 1.00 74.34 O ATOM 600 CB ARG A 39 5.373 17.139 6.438 1.00 63.34 C ATOM 601 CG ARG A 39 5.451 16.707 7.915 1.00 62.21 C ATOM 602 CD ARG A 39 4.120 16.837 8.685 1.00 71.23 C ATOM 603 NE ARG A 39 4.170 16.154 9.995 1.00 43.55 N ATOM 604 CZ ARG A 39 3.210 15.398 10.496 1.00 10.31 C ATOM 605 NH1 ARG A 39 2.105 15.194 9.853 1.00 21.24 N ATOM 606 NH2 ARG A 39 3.367 14.848 11.645 1.00 11.13 N ATOM 0 H ARG A 39 5.017 14.648 6.405 1.00 3.04 H new ATOM 0 HA ARG A 39 3.284 16.792 5.981 1.00 34.22 H new ATOM 0 HB2 ARG A 39 6.332 16.934 5.963 1.00 63.34 H new ATOM 0 HB3 ARG A 39 5.222 18.218 6.397 1.00 63.34 H new ATOM 0 HG2 ARG A 39 5.784 15.670 7.961 1.00 62.21 H new ATOM 0 HG3 ARG A 39 6.209 17.308 8.418 1.00 62.21 H new ATOM 0 HD2 ARG A 39 3.889 17.892 8.834 1.00 71.23 H new ATOM 0 HD3 ARG A 39 3.312 16.415 8.087 1.00 71.23 H new ATOM 0 HE ARG A 39 5.013 16.276 10.556 1.00 43.55 H new ATOM 0 HH11 ARG A 39 1.961 15.621 8.938 1.00 21.24 H new ATOM 0 HH12 ARG A 39 1.378 14.606 10.261 1.00 21.24 H new ATOM 0 HH21 ARG A 39 4.231 14.996 12.167 1.00 11.13 H new ATOM 0 HH22 ARG A 39 2.628 14.263 12.036 1.00 11.13 H new ATOM 620 N TYR A 40 5.366 16.166 3.453 1.00 4.44 N ATOM 621 CA TYR A 40 5.687 16.397 2.029 1.00 43.11 C ATOM 622 C TYR A 40 4.646 15.753 1.090 1.00 14.12 C ATOM 623 O TYR A 40 4.394 16.298 0.030 1.00 14.52 O ATOM 624 CB TYR A 40 7.097 15.846 1.688 1.00 64.14 C ATOM 625 CG TYR A 40 8.265 16.567 2.386 1.00 55.05 C ATOM 626 CD1 TYR A 40 8.342 16.649 3.777 1.00 52.50 C ATOM 627 CD2 TYR A 40 9.313 17.126 1.657 1.00 43.04 C ATOM 628 CE1 TYR A 40 9.401 17.253 4.413 1.00 5.34 C ATOM 629 CE2 TYR A 40 10.375 17.739 2.290 1.00 43.11 C ATOM 630 CZ TYR A 40 10.418 17.800 3.668 1.00 62.23 C ATOM 631 OH TYR A 40 11.490 18.392 4.300 1.00 32.55 O ATOM 0 H TYR A 40 5.950 15.452 3.887 1.00 4.44 H new ATOM 0 HA TYR A 40 5.668 17.475 1.872 1.00 43.11 H new ATOM 0 HB2 TYR A 40 7.131 14.789 1.954 1.00 64.14 H new ATOM 0 HB3 TYR A 40 7.244 15.909 0.610 1.00 64.14 H new ATOM 0 HD1 TYR A 40 7.546 16.225 4.372 1.00 52.50 H new ATOM 0 HD2 TYR A 40 9.294 17.079 0.578 1.00 43.04 H new ATOM 0 HE1 TYR A 40 9.433 17.297 5.492 1.00 5.34 H new ATOM 0 HE2 TYR A 40 11.174 18.172 1.706 1.00 43.11 H new ATOM 0 HH TYR A 40 11.640 17.958 5.166 1.00 32.55 H new ATOM 641 N ILE A 41 4.065 14.588 1.475 1.00 74.22 N ATOM 642 CA ILE A 41 3.031 13.900 0.656 1.00 30.32 C ATOM 643 C ILE A 41 1.771 14.794 0.513 1.00 13.12 C ATOM 644 O ILE A 41 1.350 15.084 -0.606 1.00 22.05 O ATOM 645 CB ILE A 41 2.656 12.438 1.203 1.00 14.21 C ATOM 646 CG1 ILE A 41 3.663 11.334 0.690 1.00 50.53 C ATOM 647 CG2 ILE A 41 1.202 12.019 0.829 1.00 43.41 C ATOM 648 CD1 ILE A 41 5.105 11.469 1.135 1.00 53.40 C ATOM 0 H ILE A 41 4.293 14.106 2.344 1.00 74.22 H new ATOM 0 HA ILE A 41 3.464 13.742 -0.332 1.00 30.32 H new ATOM 0 HB ILE A 41 2.730 12.506 2.288 1.00 14.21 H new ATOM 0 HG12 ILE A 41 3.296 10.361 1.016 1.00 50.53 H new ATOM 0 HG13 ILE A 41 3.642 11.334 -0.400 1.00 50.53 H new ATOM 0 HG21 ILE A 41 0.998 11.023 1.222 1.00 43.41 H new ATOM 0 HG22 ILE A 41 0.496 12.730 1.259 1.00 43.41 H new ATOM 0 HG23 ILE A 41 1.093 12.010 -0.256 1.00 43.41 H new ATOM 0 HD11 ILE A 41 5.693 10.652 0.717 1.00 53.40 H new ATOM 0 HD12 ILE A 41 5.506 12.420 0.786 1.00 53.40 H new ATOM 0 HD13 ILE A 41 5.155 11.432 2.223 1.00 53.40 H new ATOM 660 N GLN A 42 1.193 15.261 1.644 1.00 50.22 N ATOM 661 CA GLN A 42 0.006 16.154 1.593 1.00 2.45 C ATOM 662 C GLN A 42 0.356 17.534 0.974 1.00 35.21 C ATOM 663 O GLN A 42 -0.448 18.109 0.225 1.00 31.11 O ATOM 664 CB GLN A 42 -0.621 16.355 2.999 1.00 32.54 C ATOM 665 CG GLN A 42 0.294 17.064 4.033 1.00 64.45 C ATOM 666 CD GLN A 42 -0.483 17.837 5.095 1.00 72.42 C ATOM 667 OE1 GLN A 42 -0.808 17.324 6.158 1.00 10.31 O ATOM 668 NE2 GLN A 42 -0.811 19.076 4.795 1.00 5.45 N ATOM 0 H GLN A 42 1.519 15.042 2.585 1.00 50.22 H new ATOM 0 HA GLN A 42 -0.726 15.661 0.954 1.00 2.45 H new ATOM 0 HB2 GLN A 42 -1.538 16.934 2.891 1.00 32.54 H new ATOM 0 HB3 GLN A 42 -0.904 15.380 3.396 1.00 32.54 H new ATOM 0 HG2 GLN A 42 0.923 16.320 4.522 1.00 64.45 H new ATOM 0 HG3 GLN A 42 0.960 17.749 3.509 1.00 64.45 H new ATOM 0 HE21 GLN A 42 -0.526 19.477 3.901 1.00 5.45 H new ATOM 0 HE22 GLN A 42 -1.350 19.635 5.456 1.00 5.45 H new ATOM 677 N TRP A 43 1.571 18.042 1.290 1.00 72.34 N ATOM 678 CA TRP A 43 2.077 19.329 0.773 1.00 70.35 C ATOM 679 C TRP A 43 2.141 19.311 -0.765 1.00 14.45 C ATOM 680 O TRP A 43 1.641 20.204 -1.431 1.00 14.51 O ATOM 681 CB TRP A 43 3.487 19.634 1.346 1.00 21.24 C ATOM 682 CG TRP A 43 4.129 20.901 0.820 1.00 71.45 C ATOM 683 CD1 TRP A 43 3.893 22.176 1.243 1.00 43.33 C ATOM 684 CD2 TRP A 43 5.115 21.004 -0.227 1.00 25.40 C ATOM 685 NE1 TRP A 43 4.643 23.059 0.513 1.00 14.13 N ATOM 686 CE2 TRP A 43 5.402 22.367 -0.390 1.00 12.20 C ATOM 687 CE3 TRP A 43 5.773 20.073 -1.045 1.00 5.14 C ATOM 688 CZ2 TRP A 43 6.319 22.827 -1.329 1.00 25.00 C ATOM 689 CZ3 TRP A 43 6.682 20.532 -1.981 1.00 3.44 C ATOM 690 CH2 TRP A 43 6.950 21.898 -2.116 1.00 54.10 C ATOM 0 H TRP A 43 2.226 17.568 1.912 1.00 72.34 H new ATOM 0 HA TRP A 43 1.387 20.110 1.091 1.00 70.35 H new ATOM 0 HB2 TRP A 43 3.415 19.704 2.431 1.00 21.24 H new ATOM 0 HB3 TRP A 43 4.143 18.792 1.124 1.00 21.24 H new ATOM 0 HD1 TRP A 43 3.214 22.449 2.037 1.00 43.33 H new ATOM 0 HE1 TRP A 43 4.637 24.073 0.625 1.00 14.13 H new ATOM 0 HE3 TRP A 43 5.573 19.016 -0.945 1.00 5.14 H new ATOM 0 HZ2 TRP A 43 6.527 23.881 -1.435 1.00 25.00 H new ATOM 0 HZ3 TRP A 43 7.193 19.825 -2.617 1.00 3.44 H new ATOM 0 HH2 TRP A 43 7.667 22.227 -2.854 1.00 54.10 H new ATOM 701 N VAL A 44 2.755 18.267 -1.306 1.00 54.12 N ATOM 702 CA VAL A 44 2.994 18.140 -2.747 1.00 31.43 C ATOM 703 C VAL A 44 1.675 17.868 -3.522 1.00 53.50 C ATOM 704 O VAL A 44 1.611 18.087 -4.722 1.00 51.10 O ATOM 705 CB VAL A 44 4.095 17.054 -3.033 1.00 70.31 C ATOM 706 CG1 VAL A 44 3.550 15.615 -2.967 1.00 3.35 C ATOM 707 CG2 VAL A 44 4.809 17.329 -4.358 1.00 2.30 C ATOM 0 H VAL A 44 3.104 17.479 -0.760 1.00 54.12 H new ATOM 0 HA VAL A 44 3.375 19.092 -3.116 1.00 31.43 H new ATOM 0 HB VAL A 44 4.829 17.134 -2.231 1.00 70.31 H new ATOM 0 HG11 VAL A 44 4.356 14.911 -3.173 1.00 3.35 H new ATOM 0 HG12 VAL A 44 3.147 15.424 -1.973 1.00 3.35 H new ATOM 0 HG13 VAL A 44 2.761 15.490 -3.709 1.00 3.35 H new ATOM 0 HG21 VAL A 44 5.565 16.563 -4.530 1.00 2.30 H new ATOM 0 HG22 VAL A 44 4.084 17.313 -5.172 1.00 2.30 H new ATOM 0 HG23 VAL A 44 5.287 18.308 -4.317 1.00 2.30 H new ATOM 717 N GLU A 45 0.627 17.379 -2.822 1.00 74.53 N ATOM 718 CA GLU A 45 -0.721 17.229 -3.416 1.00 12.24 C ATOM 719 C GLU A 45 -1.491 18.564 -3.448 1.00 61.42 C ATOM 720 O GLU A 45 -2.229 18.819 -4.386 1.00 65.10 O ATOM 721 CB GLU A 45 -1.561 16.171 -2.664 1.00 14.50 C ATOM 722 CG GLU A 45 -1.002 14.742 -2.744 1.00 72.31 C ATOM 723 CD GLU A 45 -2.034 13.672 -2.365 1.00 20.44 C ATOM 724 OE1 GLU A 45 -2.895 13.350 -3.215 1.00 72.32 O ATOM 725 OE2 GLU A 45 -2.010 13.160 -1.227 1.00 45.22 O ATOM 0 H GLU A 45 0.688 17.082 -1.848 1.00 74.53 H new ATOM 0 HA GLU A 45 -0.564 16.894 -4.441 1.00 12.24 H new ATOM 0 HB2 GLU A 45 -1.634 16.461 -1.616 1.00 14.50 H new ATOM 0 HB3 GLU A 45 -2.574 16.175 -3.067 1.00 14.50 H new ATOM 0 HG2 GLU A 45 -0.646 14.553 -3.757 1.00 72.31 H new ATOM 0 HG3 GLU A 45 -0.140 14.658 -2.083 1.00 72.31 H new ATOM 732 N GLU A 46 -1.362 19.397 -2.399 1.00 3.22 N ATOM 733 CA GLU A 46 -2.061 20.713 -2.350 1.00 42.22 C ATOM 734 C GLU A 46 -1.324 21.787 -3.202 1.00 11.13 C ATOM 735 O GLU A 46 -1.956 22.699 -3.745 1.00 43.42 O ATOM 736 CB GLU A 46 -2.249 21.183 -0.877 1.00 32.14 C ATOM 737 CG GLU A 46 -0.944 21.407 -0.093 1.00 42.31 C ATOM 738 CD GLU A 46 -1.153 21.698 1.405 1.00 50.24 C ATOM 739 OE1 GLU A 46 -1.360 22.876 1.770 1.00 45.54 O ATOM 740 OE2 GLU A 46 -1.103 20.752 2.220 1.00 15.41 O ATOM 0 H GLU A 46 -0.790 19.194 -1.579 1.00 3.22 H new ATOM 0 HA GLU A 46 -3.050 20.582 -2.790 1.00 42.22 H new ATOM 0 HB2 GLU A 46 -2.818 22.113 -0.878 1.00 32.14 H new ATOM 0 HB3 GLU A 46 -2.849 20.442 -0.349 1.00 32.14 H new ATOM 0 HG2 GLU A 46 -0.314 20.523 -0.196 1.00 42.31 H new ATOM 0 HG3 GLU A 46 -0.401 22.239 -0.542 1.00 42.31 H new ATOM 747 N ASN A 47 0.010 21.660 -3.313 1.00 40.45 N ATOM 748 CA ASN A 47 0.869 22.588 -4.096 1.00 74.13 C ATOM 749 C ASN A 47 1.088 22.101 -5.552 1.00 65.11 C ATOM 750 O ASN A 47 1.298 22.920 -6.450 1.00 14.34 O ATOM 751 CB ASN A 47 2.232 22.787 -3.379 1.00 21.33 C ATOM 752 CG ASN A 47 2.119 23.651 -2.120 1.00 13.41 C ATOM 753 OD1 ASN A 47 2.250 24.859 -2.173 1.00 52.31 O ATOM 754 ND2 ASN A 47 1.863 23.055 -0.983 1.00 0.45 N ATOM 0 H ASN A 47 0.533 20.909 -2.862 1.00 40.45 H new ATOM 0 HA ASN A 47 0.348 23.544 -4.154 1.00 74.13 H new ATOM 0 HB2 ASN A 47 2.642 21.813 -3.110 1.00 21.33 H new ATOM 0 HB3 ASN A 47 2.937 23.250 -4.070 1.00 21.33 H new ATOM 0 HD21 ASN A 47 1.771 23.604 -0.129 1.00 0.45 H new ATOM 0 HD22 ASN A 47 1.755 22.041 -0.952 1.00 0.45 H new ATOM 761 N PHE A 48 1.060 20.767 -5.784 1.00 30.25 N ATOM 762 CA PHE A 48 1.190 20.172 -7.154 1.00 53.21 C ATOM 763 C PHE A 48 0.122 19.039 -7.384 1.00 13.30 C ATOM 764 O PHE A 48 0.487 17.875 -7.603 1.00 34.23 O ATOM 765 CB PHE A 48 2.636 19.600 -7.374 1.00 21.43 C ATOM 766 CG PHE A 48 3.794 20.577 -7.116 1.00 43.53 C ATOM 767 CD1 PHE A 48 4.241 21.451 -8.110 1.00 75.53 C ATOM 768 CD2 PHE A 48 4.438 20.628 -5.870 1.00 61.43 C ATOM 769 CE1 PHE A 48 5.288 22.329 -7.875 1.00 53.23 C ATOM 770 CE2 PHE A 48 5.484 21.506 -5.639 1.00 73.41 C ATOM 771 CZ PHE A 48 5.905 22.361 -6.640 1.00 73.23 C ATOM 0 H PHE A 48 0.949 20.074 -5.044 1.00 30.25 H new ATOM 0 HA PHE A 48 1.010 20.966 -7.879 1.00 53.21 H new ATOM 0 HB2 PHE A 48 2.766 18.735 -6.724 1.00 21.43 H new ATOM 0 HB3 PHE A 48 2.711 19.242 -8.401 1.00 21.43 H new ATOM 0 HD1 PHE A 48 3.763 21.443 -9.078 1.00 75.53 H new ATOM 0 HD2 PHE A 48 4.112 19.971 -5.077 1.00 61.43 H new ATOM 0 HE1 PHE A 48 5.622 22.990 -8.661 1.00 53.23 H new ATOM 0 HE2 PHE A 48 5.971 21.523 -4.675 1.00 73.41 H new ATOM 0 HZ PHE A 48 6.714 23.052 -6.457 1.00 73.23 H new ATOM 781 N PRO A 49 -1.228 19.351 -7.334 1.00 61.31 N ATOM 782 CA PRO A 49 -2.296 18.321 -7.549 1.00 12.21 C ATOM 783 C PRO A 49 -2.303 17.755 -8.993 1.00 50.23 C ATOM 784 O PRO A 49 -2.442 16.546 -9.208 1.00 12.35 O ATOM 785 CB PRO A 49 -3.605 19.098 -7.232 1.00 20.32 C ATOM 786 CG PRO A 49 -3.265 20.543 -7.459 1.00 60.01 C ATOM 787 CD PRO A 49 -1.817 20.692 -7.048 1.00 33.54 C ATOM 0 HA PRO A 49 -2.152 17.440 -6.923 1.00 12.21 H new ATOM 0 HB2 PRO A 49 -4.421 18.778 -7.881 1.00 20.32 H new ATOM 0 HB3 PRO A 49 -3.928 18.925 -6.205 1.00 20.32 H new ATOM 0 HG2 PRO A 49 -3.406 20.819 -8.504 1.00 60.01 H new ATOM 0 HG3 PRO A 49 -3.909 21.194 -6.868 1.00 60.01 H new ATOM 0 HD2 PRO A 49 -1.318 21.478 -7.616 1.00 33.54 H new ATOM 0 HD3 PRO A 49 -1.725 20.953 -5.994 1.00 33.54 H new ATOM 795 N GLU A 50 -2.111 18.656 -9.963 1.00 61.54 N ATOM 796 CA GLU A 50 -2.119 18.335 -11.409 1.00 34.30 C ATOM 797 C GLU A 50 -0.774 17.722 -11.860 1.00 60.12 C ATOM 798 O GLU A 50 -0.633 17.291 -13.010 1.00 64.23 O ATOM 799 CB GLU A 50 -2.406 19.635 -12.203 1.00 54.22 C ATOM 800 CG GLU A 50 -3.673 20.385 -11.731 1.00 70.00 C ATOM 801 CD GLU A 50 -3.773 21.814 -12.289 1.00 40.24 C ATOM 802 OE1 GLU A 50 -3.138 22.728 -11.719 1.00 52.40 O ATOM 803 OE2 GLU A 50 -4.484 22.031 -13.294 1.00 52.42 O ATOM 0 H GLU A 50 -1.943 19.644 -9.771 1.00 61.54 H new ATOM 0 HA GLU A 50 -2.895 17.595 -11.603 1.00 34.30 H new ATOM 0 HB2 GLU A 50 -1.547 20.300 -12.116 1.00 54.22 H new ATOM 0 HB3 GLU A 50 -2.513 19.389 -13.259 1.00 54.22 H new ATOM 0 HG2 GLU A 50 -4.555 19.821 -12.034 1.00 70.00 H new ATOM 0 HG3 GLU A 50 -3.679 20.426 -10.642 1.00 70.00 H new ATOM 810 N ASN A 51 0.223 17.715 -10.949 1.00 25.12 N ATOM 811 CA ASN A 51 1.560 17.146 -11.207 1.00 64.13 C ATOM 812 C ASN A 51 1.893 16.075 -10.137 1.00 41.20 C ATOM 813 O ASN A 51 2.625 16.332 -9.171 1.00 41.11 O ATOM 814 CB ASN A 51 2.626 18.267 -11.229 1.00 4.53 C ATOM 815 CG ASN A 51 2.286 19.399 -12.193 1.00 44.35 C ATOM 816 OD1 ASN A 51 1.709 20.407 -11.805 1.00 64.21 O ATOM 817 ND2 ASN A 51 2.612 19.233 -13.457 1.00 35.25 N ATOM 0 H ASN A 51 0.121 18.105 -10.012 1.00 25.12 H new ATOM 0 HA ASN A 51 1.562 16.664 -12.185 1.00 64.13 H new ATOM 0 HB2 ASN A 51 2.736 18.675 -10.224 1.00 4.53 H new ATOM 0 HB3 ASN A 51 3.589 17.839 -11.507 1.00 4.53 H new ATOM 0 HD21 ASN A 51 2.384 19.954 -14.141 1.00 35.25 H new ATOM 0 HD22 ASN A 51 3.092 18.383 -13.752 1.00 35.25 H new ATOM 824 N LYS A 52 1.319 14.873 -10.318 1.00 40.41 N ATOM 825 CA LYS A 52 1.497 13.737 -9.380 1.00 62.13 C ATOM 826 C LYS A 52 2.855 13.028 -9.547 1.00 40.41 C ATOM 827 O LYS A 52 3.220 12.228 -8.698 1.00 24.22 O ATOM 828 CB LYS A 52 0.317 12.731 -9.520 1.00 61.24 C ATOM 829 CG LYS A 52 -1.006 13.242 -8.911 1.00 3.50 C ATOM 830 CD LYS A 52 -0.867 13.488 -7.389 1.00 13.32 C ATOM 831 CE LYS A 52 -2.121 14.089 -6.748 1.00 71.23 C ATOM 832 NZ LYS A 52 -3.316 13.220 -6.904 1.00 23.50 N ATOM 0 H LYS A 52 0.719 14.656 -11.114 1.00 40.41 H new ATOM 0 HA LYS A 52 1.493 14.151 -8.372 1.00 62.13 H new ATOM 0 HB2 LYS A 52 0.160 12.512 -10.576 1.00 61.24 H new ATOM 0 HB3 LYS A 52 0.591 11.793 -9.037 1.00 61.24 H new ATOM 0 HG2 LYS A 52 -1.303 14.167 -9.405 1.00 3.50 H new ATOM 0 HG3 LYS A 52 -1.797 12.515 -9.093 1.00 3.50 H new ATOM 0 HD2 LYS A 52 -0.634 12.544 -6.897 1.00 13.32 H new ATOM 0 HD3 LYS A 52 -0.024 14.156 -7.213 1.00 13.32 H new ATOM 0 HE2 LYS A 52 -1.936 14.259 -5.687 1.00 71.23 H new ATOM 0 HE3 LYS A 52 -2.323 15.062 -7.196 1.00 71.23 H new ATOM 0 HZ1 LYS A 52 -4.111 13.623 -6.367 1.00 23.50 H new ATOM 0 HZ2 LYS A 52 -3.573 13.160 -7.910 1.00 23.50 H new ATOM 0 HZ3 LYS A 52 -3.102 12.268 -6.544 1.00 23.50 H new ATOM 846 N GLU A 53 3.603 13.360 -10.622 1.00 33.33 N ATOM 847 CA GLU A 53 4.991 12.868 -10.855 1.00 41.13 C ATOM 848 C GLU A 53 5.905 13.138 -9.624 1.00 22.21 C ATOM 849 O GLU A 53 6.816 12.359 -9.322 1.00 62.51 O ATOM 850 CB GLU A 53 5.588 13.554 -12.113 1.00 15.43 C ATOM 851 CG GLU A 53 5.655 15.091 -12.008 1.00 11.32 C ATOM 852 CD GLU A 53 6.291 15.771 -13.224 1.00 41.51 C ATOM 853 OE1 GLU A 53 7.536 15.793 -13.323 1.00 3.03 O ATOM 854 OE2 GLU A 53 5.553 16.291 -14.078 1.00 53.31 O ATOM 0 H GLU A 53 3.265 13.979 -11.359 1.00 33.33 H new ATOM 0 HA GLU A 53 4.945 11.790 -11.011 1.00 41.13 H new ATOM 0 HB2 GLU A 53 6.592 13.166 -12.285 1.00 15.43 H new ATOM 0 HB3 GLU A 53 4.988 13.284 -12.982 1.00 15.43 H new ATOM 0 HG2 GLU A 53 4.646 15.480 -11.873 1.00 11.32 H new ATOM 0 HG3 GLU A 53 6.222 15.360 -11.117 1.00 11.32 H new ATOM 861 N TYR A 54 5.625 14.258 -8.923 1.00 64.11 N ATOM 862 CA TYR A 54 6.297 14.623 -7.671 1.00 41.22 C ATOM 863 C TYR A 54 5.942 13.627 -6.552 1.00 3.23 C ATOM 864 O TYR A 54 6.821 12.976 -5.988 1.00 62.32 O ATOM 865 CB TYR A 54 5.890 16.042 -7.227 1.00 71.20 C ATOM 866 CG TYR A 54 6.291 17.209 -8.138 1.00 65.54 C ATOM 867 CD1 TYR A 54 5.651 17.429 -9.355 1.00 32.12 C ATOM 868 CD2 TYR A 54 7.283 18.123 -7.763 1.00 24.32 C ATOM 869 CE1 TYR A 54 5.980 18.489 -10.163 1.00 33.31 C ATOM 870 CE2 TYR A 54 7.606 19.194 -8.570 1.00 11.14 C ATOM 871 CZ TYR A 54 6.952 19.369 -9.772 1.00 44.33 C ATOM 872 OH TYR A 54 7.252 20.439 -10.578 1.00 54.45 O ATOM 0 H TYR A 54 4.921 14.934 -9.218 1.00 64.11 H new ATOM 0 HA TYR A 54 7.371 14.595 -7.853 1.00 41.22 H new ATOM 0 HB2 TYR A 54 4.806 16.061 -7.112 1.00 71.20 H new ATOM 0 HB3 TYR A 54 6.318 16.222 -6.241 1.00 71.20 H new ATOM 0 HD1 TYR A 54 4.875 16.748 -9.672 1.00 32.12 H new ATOM 0 HD2 TYR A 54 7.804 17.987 -6.827 1.00 24.32 H new ATOM 0 HE1 TYR A 54 5.472 18.628 -11.106 1.00 33.31 H new ATOM 0 HE2 TYR A 54 8.369 19.894 -8.262 1.00 11.14 H new ATOM 0 HH TYR A 54 8.195 20.681 -10.463 1.00 54.45 H new ATOM 882 N LEU A 55 4.629 13.513 -6.277 1.00 61.20 N ATOM 883 CA LEU A 55 4.076 12.669 -5.198 1.00 32.01 C ATOM 884 C LEU A 55 4.539 11.199 -5.307 1.00 41.13 C ATOM 885 O LEU A 55 4.943 10.600 -4.314 1.00 35.55 O ATOM 886 CB LEU A 55 2.523 12.744 -5.223 1.00 45.53 C ATOM 887 CG LEU A 55 1.786 11.842 -4.181 1.00 65.54 C ATOM 888 CD1 LEU A 55 2.079 12.286 -2.738 1.00 53.33 C ATOM 889 CD2 LEU A 55 0.275 11.769 -4.451 1.00 34.55 C ATOM 0 H LEU A 55 3.912 14.011 -6.805 1.00 61.20 H new ATOM 0 HA LEU A 55 4.453 13.054 -4.250 1.00 32.01 H new ATOM 0 HB2 LEU A 55 2.224 13.779 -5.056 1.00 45.53 H new ATOM 0 HB3 LEU A 55 2.180 12.470 -6.221 1.00 45.53 H new ATOM 0 HG LEU A 55 2.182 10.833 -4.299 1.00 65.54 H new ATOM 0 HD11 LEU A 55 1.549 11.635 -2.042 1.00 53.33 H new ATOM 0 HD12 LEU A 55 3.151 12.224 -2.549 1.00 53.33 H new ATOM 0 HD13 LEU A 55 1.745 13.314 -2.599 1.00 53.33 H new ATOM 0 HD21 LEU A 55 -0.198 11.132 -3.704 1.00 34.55 H new ATOM 0 HD22 LEU A 55 -0.153 12.770 -4.398 1.00 34.55 H new ATOM 0 HD23 LEU A 55 0.102 11.353 -5.444 1.00 34.55 H new ATOM 901 N ILE A 56 4.506 10.657 -6.529 1.00 71.52 N ATOM 902 CA ILE A 56 4.862 9.253 -6.813 1.00 51.15 C ATOM 903 C ILE A 56 6.364 8.977 -6.539 1.00 32.42 C ATOM 904 O ILE A 56 6.716 7.889 -6.101 1.00 45.35 O ATOM 905 CB ILE A 56 4.468 8.894 -8.294 1.00 1.14 C ATOM 906 CG1 ILE A 56 2.940 9.143 -8.518 1.00 53.30 C ATOM 907 CG2 ILE A 56 4.830 7.433 -8.642 1.00 5.24 C ATOM 908 CD1 ILE A 56 2.507 9.131 -9.972 1.00 54.11 C ATOM 0 H ILE A 56 4.230 11.181 -7.359 1.00 71.52 H new ATOM 0 HA ILE A 56 4.299 8.609 -6.137 1.00 51.15 H new ATOM 0 HB ILE A 56 5.039 9.542 -8.958 1.00 1.14 H new ATOM 0 HG12 ILE A 56 2.378 8.381 -7.978 1.00 53.30 H new ATOM 0 HG13 ILE A 56 2.674 10.105 -8.081 1.00 53.30 H new ATOM 0 HG21 ILE A 56 4.543 7.223 -9.672 1.00 5.24 H new ATOM 0 HG22 ILE A 56 5.904 7.287 -8.528 1.00 5.24 H new ATOM 0 HG23 ILE A 56 4.299 6.757 -7.972 1.00 5.24 H new ATOM 0 HD11 ILE A 56 1.434 9.312 -10.034 1.00 54.11 H new ATOM 0 HD12 ILE A 56 3.038 9.912 -10.516 1.00 54.11 H new ATOM 0 HD13 ILE A 56 2.738 8.161 -10.412 1.00 54.11 H new ATOM 920 N THR A 57 7.234 9.987 -6.776 1.00 34.05 N ATOM 921 CA THR A 57 8.670 9.946 -6.378 1.00 1.50 C ATOM 922 C THR A 57 8.822 9.798 -4.845 1.00 33.55 C ATOM 923 O THR A 57 9.619 8.985 -4.354 1.00 25.04 O ATOM 924 CB THR A 57 9.423 11.240 -6.852 1.00 33.25 C ATOM 925 OG1 THR A 57 9.450 11.298 -8.285 1.00 30.12 O ATOM 926 CG2 THR A 57 10.865 11.347 -6.309 1.00 54.30 C ATOM 0 H THR A 57 6.966 10.852 -7.246 1.00 34.05 H new ATOM 0 HA THR A 57 9.114 9.077 -6.863 1.00 1.50 H new ATOM 0 HB THR A 57 8.865 12.083 -6.444 1.00 33.25 H new ATOM 0 HG1 THR A 57 8.593 11.641 -8.615 1.00 30.12 H new ATOM 0 HG21 THR A 57 11.325 12.264 -6.676 1.00 54.30 H new ATOM 0 HG22 THR A 57 10.843 11.363 -5.219 1.00 54.30 H new ATOM 0 HG23 THR A 57 11.446 10.489 -6.648 1.00 54.30 H new ATOM 934 N LEU A 58 8.042 10.606 -4.105 1.00 40.11 N ATOM 935 CA LEU A 58 7.992 10.571 -2.625 1.00 1.50 C ATOM 936 C LEU A 58 7.446 9.205 -2.107 1.00 45.23 C ATOM 937 O LEU A 58 7.937 8.674 -1.122 1.00 41.42 O ATOM 938 CB LEU A 58 7.123 11.758 -2.090 1.00 22.23 C ATOM 939 CG LEU A 58 7.800 13.179 -1.995 1.00 65.40 C ATOM 940 CD1 LEU A 58 8.873 13.224 -0.896 1.00 34.01 C ATOM 941 CD2 LEU A 58 8.376 13.667 -3.350 1.00 21.30 C ATOM 0 H LEU A 58 7.424 11.306 -4.515 1.00 40.11 H new ATOM 0 HA LEU A 58 9.008 10.681 -2.246 1.00 1.50 H new ATOM 0 HB2 LEU A 58 6.246 11.847 -2.731 1.00 22.23 H new ATOM 0 HB3 LEU A 58 6.765 11.490 -1.096 1.00 22.23 H new ATOM 0 HG LEU A 58 7.004 13.872 -1.723 1.00 65.40 H new ATOM 0 HD11 LEU A 58 9.317 14.219 -0.861 1.00 34.01 H new ATOM 0 HD12 LEU A 58 8.417 12.996 0.067 1.00 34.01 H new ATOM 0 HD13 LEU A 58 9.648 12.489 -1.114 1.00 34.01 H new ATOM 0 HD21 LEU A 58 8.828 14.650 -3.220 1.00 21.30 H new ATOM 0 HD22 LEU A 58 9.132 12.963 -3.699 1.00 21.30 H new ATOM 0 HD23 LEU A 58 7.573 13.731 -4.085 1.00 21.30 H new ATOM 953 N LEU A 59 6.451 8.639 -2.817 1.00 55.51 N ATOM 954 CA LEU A 59 5.762 7.386 -2.417 1.00 31.21 C ATOM 955 C LEU A 59 6.605 6.113 -2.694 1.00 33.24 C ATOM 956 O LEU A 59 6.680 5.226 -1.839 1.00 31.01 O ATOM 957 CB LEU A 59 4.394 7.294 -3.136 1.00 32.10 C ATOM 958 CG LEU A 59 3.313 8.324 -2.686 1.00 44.01 C ATOM 959 CD1 LEU A 59 2.074 8.256 -3.599 1.00 61.14 C ATOM 960 CD2 LEU A 59 2.933 8.122 -1.198 1.00 20.33 C ATOM 0 H LEU A 59 6.098 9.035 -3.688 1.00 55.51 H new ATOM 0 HA LEU A 59 5.616 7.429 -1.338 1.00 31.21 H new ATOM 0 HB2 LEU A 59 4.560 7.416 -4.206 1.00 32.10 H new ATOM 0 HB3 LEU A 59 3.995 6.291 -2.988 1.00 32.10 H new ATOM 0 HG LEU A 59 3.739 9.323 -2.781 1.00 44.01 H new ATOM 0 HD11 LEU A 59 1.335 8.984 -3.264 1.00 61.14 H new ATOM 0 HD12 LEU A 59 2.365 8.480 -4.625 1.00 61.14 H new ATOM 0 HD13 LEU A 59 1.644 7.255 -3.555 1.00 61.14 H new ATOM 0 HD21 LEU A 59 2.178 8.854 -0.913 1.00 20.33 H new ATOM 0 HD22 LEU A 59 2.536 7.117 -1.057 1.00 20.33 H new ATOM 0 HD23 LEU A 59 3.818 8.253 -0.575 1.00 20.33 H new ATOM 972 N GLU A 60 7.217 6.017 -3.895 1.00 53.40 N ATOM 973 CA GLU A 60 8.084 4.869 -4.257 1.00 3.42 C ATOM 974 C GLU A 60 9.323 4.790 -3.331 1.00 71.14 C ATOM 975 O GLU A 60 9.697 3.709 -2.886 1.00 3.43 O ATOM 976 CB GLU A 60 8.497 4.924 -5.767 1.00 61.14 C ATOM 977 CG GLU A 60 9.372 6.143 -6.205 1.00 11.41 C ATOM 978 CD GLU A 60 10.870 5.829 -6.448 1.00 53.33 C ATOM 979 OE1 GLU A 60 11.504 5.151 -5.606 1.00 30.03 O ATOM 980 OE2 GLU A 60 11.432 6.295 -7.457 1.00 55.45 O ATOM 0 H GLU A 60 7.128 6.718 -4.630 1.00 53.40 H new ATOM 0 HA GLU A 60 7.507 3.956 -4.110 1.00 3.42 H new ATOM 0 HB2 GLU A 60 9.041 4.010 -6.006 1.00 61.14 H new ATOM 0 HB3 GLU A 60 7.589 4.921 -6.370 1.00 61.14 H new ATOM 0 HG2 GLU A 60 8.952 6.561 -7.120 1.00 11.41 H new ATOM 0 HG3 GLU A 60 9.299 6.915 -5.439 1.00 11.41 H new ATOM 987 N HIS A 61 9.926 5.956 -3.021 1.00 62.40 N ATOM 988 CA HIS A 61 11.067 6.044 -2.086 1.00 70.15 C ATOM 989 C HIS A 61 10.630 5.851 -0.620 1.00 31.53 C ATOM 990 O HIS A 61 11.452 5.477 0.218 1.00 73.41 O ATOM 991 CB HIS A 61 11.821 7.383 -2.259 1.00 70.14 C ATOM 992 CG HIS A 61 12.731 7.427 -3.460 1.00 15.01 C ATOM 993 ND1 HIS A 61 12.452 8.154 -4.599 1.00 72.12 N ATOM 994 CD2 HIS A 61 13.945 6.863 -3.672 1.00 74.30 C ATOM 995 CE1 HIS A 61 13.449 8.039 -5.447 1.00 3.51 C ATOM 996 NE2 HIS A 61 14.366 7.265 -4.913 1.00 74.53 N ATOM 0 H HIS A 61 9.639 6.855 -3.407 1.00 62.40 H new ATOM 0 HA HIS A 61 11.747 5.229 -2.333 1.00 70.15 H new ATOM 0 HB2 HIS A 61 11.093 8.190 -2.339 1.00 70.14 H new ATOM 0 HB3 HIS A 61 12.411 7.574 -1.363 1.00 70.14 H new ATOM 0 HD1 HIS A 61 11.603 8.697 -4.758 1.00 72.12 H new ATOM 0 HD2 HIS A 61 14.480 6.218 -2.991 1.00 74.30 H new ATOM 0 HE1 HIS A 61 13.505 8.503 -6.420 1.00 3.51 H new ATOM 1005 N LEU A 62 9.353 6.132 -0.312 1.00 51.32 N ATOM 1006 CA LEU A 62 8.771 5.869 1.021 1.00 61.43 C ATOM 1007 C LEU A 62 8.752 4.356 1.314 1.00 70.23 C ATOM 1008 O LEU A 62 9.224 3.910 2.361 1.00 63.31 O ATOM 1009 CB LEU A 62 7.341 6.479 1.102 1.00 11.35 C ATOM 1010 CG LEU A 62 6.535 6.251 2.421 1.00 23.32 C ATOM 1011 CD1 LEU A 62 7.341 6.670 3.658 1.00 73.52 C ATOM 1012 CD2 LEU A 62 5.177 6.990 2.372 1.00 15.01 C ATOM 0 H LEU A 62 8.696 6.545 -0.973 1.00 51.32 H new ATOM 0 HA LEU A 62 9.390 6.344 1.782 1.00 61.43 H new ATOM 0 HB2 LEU A 62 7.424 7.554 0.939 1.00 11.35 H new ATOM 0 HB3 LEU A 62 6.756 6.076 0.276 1.00 11.35 H new ATOM 0 HG LEU A 62 6.341 5.182 2.504 1.00 23.32 H new ATOM 0 HD11 LEU A 62 6.747 6.496 4.555 1.00 73.52 H new ATOM 0 HD12 LEU A 62 8.258 6.083 3.711 1.00 73.52 H new ATOM 0 HD13 LEU A 62 7.591 7.729 3.588 1.00 73.52 H new ATOM 0 HD21 LEU A 62 4.634 6.816 3.301 1.00 15.01 H new ATOM 0 HD22 LEU A 62 5.349 8.059 2.247 1.00 15.01 H new ATOM 0 HD23 LEU A 62 4.589 6.616 1.533 1.00 15.01 H new ATOM 1024 N MET A 63 8.238 3.568 0.358 1.00 4.20 N ATOM 1025 CA MET A 63 8.181 2.098 0.492 1.00 22.24 C ATOM 1026 C MET A 63 9.557 1.436 0.277 1.00 34.31 C ATOM 1027 O MET A 63 9.745 0.318 0.695 1.00 13.32 O ATOM 1028 CB MET A 63 7.106 1.505 -0.444 1.00 41.53 C ATOM 1029 CG MET A 63 7.342 1.776 -1.931 1.00 20.05 C ATOM 1030 SD MET A 63 5.902 1.420 -2.945 1.00 44.52 S ATOM 1031 CE MET A 63 4.691 2.520 -2.199 1.00 70.41 C ATOM 0 H MET A 63 7.854 3.921 -0.519 1.00 4.20 H new ATOM 0 HA MET A 63 7.893 1.875 1.519 1.00 22.24 H new ATOM 0 HB2 MET A 63 7.059 0.427 -0.287 1.00 41.53 H new ATOM 0 HB3 MET A 63 6.134 1.910 -0.163 1.00 41.53 H new ATOM 0 HG2 MET A 63 7.624 2.820 -2.064 1.00 20.05 H new ATOM 0 HG3 MET A 63 8.181 1.172 -2.276 1.00 20.05 H new ATOM 0 HE1 MET A 63 3.729 2.392 -2.695 1.00 70.41 H new ATOM 0 HE2 MET A 63 4.588 2.283 -1.140 1.00 70.41 H new ATOM 0 HE3 MET A 63 5.021 3.553 -2.309 1.00 70.41 H new ATOM 1041 N LYS A 64 10.495 2.120 -0.409 1.00 53.34 N ATOM 1042 CA LYS A 64 11.931 1.719 -0.439 1.00 50.11 C ATOM 1043 C LYS A 64 12.588 1.860 0.962 1.00 2.00 C ATOM 1044 O LYS A 64 13.169 0.908 1.486 1.00 32.10 O ATOM 1045 CB LYS A 64 12.717 2.582 -1.473 1.00 10.24 C ATOM 1046 CG LYS A 64 12.461 2.241 -2.959 1.00 32.54 C ATOM 1047 CD LYS A 64 13.163 0.937 -3.416 1.00 55.34 C ATOM 1048 CE LYS A 64 14.701 1.049 -3.363 1.00 33.33 C ATOM 1049 NZ LYS A 64 15.382 -0.179 -3.848 1.00 41.25 N ATOM 0 H LYS A 64 10.290 2.957 -0.954 1.00 53.34 H new ATOM 0 HA LYS A 64 11.972 0.671 -0.736 1.00 50.11 H new ATOM 0 HB2 LYS A 64 12.465 3.630 -1.311 1.00 10.24 H new ATOM 0 HB3 LYS A 64 13.783 2.475 -1.273 1.00 10.24 H new ATOM 0 HG2 LYS A 64 11.388 2.145 -3.123 1.00 32.54 H new ATOM 0 HG3 LYS A 64 12.806 3.068 -3.579 1.00 32.54 H new ATOM 0 HD2 LYS A 64 12.839 0.112 -2.782 1.00 55.34 H new ATOM 0 HD3 LYS A 64 12.853 0.698 -4.433 1.00 55.34 H new ATOM 0 HE2 LYS A 64 15.020 1.899 -3.966 1.00 33.33 H new ATOM 0 HE3 LYS A 64 15.011 1.251 -2.338 1.00 33.33 H new ATOM 0 HZ1 LYS A 64 16.412 -0.050 -3.791 1.00 41.25 H new ATOM 0 HZ2 LYS A 64 15.101 -0.988 -3.258 1.00 41.25 H new ATOM 0 HZ3 LYS A 64 15.110 -0.360 -4.835 1.00 41.25 H new ATOM 1063 N GLU A 65 12.467 3.060 1.555 1.00 42.54 N ATOM 1064 CA GLU A 65 13.133 3.421 2.826 1.00 41.30 C ATOM 1065 C GLU A 65 12.549 2.641 4.031 1.00 23.24 C ATOM 1066 O GLU A 65 13.281 2.249 4.943 1.00 31.23 O ATOM 1067 CB GLU A 65 13.022 4.961 3.056 1.00 20.12 C ATOM 1068 CG GLU A 65 13.691 5.500 4.345 1.00 43.53 C ATOM 1069 CD GLU A 65 15.210 5.251 4.398 1.00 2.21 C ATOM 1070 OE1 GLU A 65 15.970 6.007 3.757 1.00 42.42 O ATOM 1071 OE2 GLU A 65 15.656 4.293 5.077 1.00 61.42 O ATOM 0 H GLU A 65 11.901 3.814 1.166 1.00 42.54 H new ATOM 0 HA GLU A 65 14.184 3.141 2.749 1.00 41.30 H new ATOM 0 HB2 GLU A 65 13.464 5.470 2.200 1.00 20.12 H new ATOM 0 HB3 GLU A 65 11.966 5.231 3.077 1.00 20.12 H new ATOM 0 HG2 GLU A 65 13.503 6.571 4.422 1.00 43.53 H new ATOM 0 HG3 GLU A 65 13.223 5.031 5.211 1.00 43.53 H new ATOM 1078 N PHE A 66 11.226 2.420 4.027 1.00 73.01 N ATOM 1079 CA PHE A 66 10.517 1.750 5.151 1.00 14.42 C ATOM 1080 C PHE A 66 10.242 0.262 4.871 1.00 41.13 C ATOM 1081 O PHE A 66 9.601 -0.416 5.692 1.00 44.33 O ATOM 1082 CB PHE A 66 9.207 2.499 5.475 1.00 10.04 C ATOM 1083 CG PHE A 66 9.419 3.899 6.037 1.00 11.13 C ATOM 1084 CD1 PHE A 66 10.018 4.892 5.271 1.00 13.41 C ATOM 1085 CD2 PHE A 66 9.031 4.227 7.326 1.00 12.22 C ATOM 1086 CE1 PHE A 66 10.223 6.144 5.769 1.00 23.34 C ATOM 1087 CE2 PHE A 66 9.235 5.487 7.824 1.00 1.13 C ATOM 1088 CZ PHE A 66 9.832 6.450 7.043 1.00 71.42 C ATOM 0 H PHE A 66 10.614 2.694 3.258 1.00 73.01 H new ATOM 0 HA PHE A 66 11.175 1.788 6.019 1.00 14.42 H new ATOM 0 HB2 PHE A 66 8.606 2.569 4.568 1.00 10.04 H new ATOM 0 HB3 PHE A 66 8.633 1.913 6.193 1.00 10.04 H new ATOM 0 HD1 PHE A 66 10.327 4.667 4.261 1.00 13.41 H new ATOM 0 HD2 PHE A 66 8.561 3.479 7.947 1.00 12.22 H new ATOM 0 HE1 PHE A 66 10.696 6.897 5.155 1.00 23.34 H new ATOM 0 HE2 PHE A 66 8.927 5.725 8.831 1.00 1.13 H new ATOM 0 HZ PHE A 66 9.991 7.444 7.435 1.00 71.42 H new ATOM 1098 N LEU A 67 10.721 -0.233 3.710 1.00 21.01 N ATOM 1099 CA LEU A 67 10.639 -1.658 3.340 1.00 72.23 C ATOM 1100 C LEU A 67 11.267 -2.567 4.410 1.00 51.42 C ATOM 1101 O LEU A 67 10.608 -3.467 4.923 1.00 44.11 O ATOM 1102 CB LEU A 67 11.319 -1.914 1.963 1.00 43.12 C ATOM 1103 CG LEU A 67 10.724 -3.084 1.123 1.00 12.52 C ATOM 1104 CD1 LEU A 67 9.220 -2.859 0.833 1.00 74.44 C ATOM 1105 CD2 LEU A 67 11.511 -3.276 -0.182 1.00 31.40 C ATOM 0 H LEU A 67 11.175 0.346 3.004 1.00 21.01 H new ATOM 0 HA LEU A 67 9.580 -1.906 3.267 1.00 72.23 H new ATOM 0 HB2 LEU A 67 11.258 -1.000 1.373 1.00 43.12 H new ATOM 0 HB3 LEU A 67 12.377 -2.114 2.132 1.00 43.12 H new ATOM 0 HG LEU A 67 10.815 -3.996 1.712 1.00 12.52 H new ATOM 0 HD11 LEU A 67 8.834 -3.692 0.245 1.00 74.44 H new ATOM 0 HD12 LEU A 67 8.674 -2.795 1.774 1.00 74.44 H new ATOM 0 HD13 LEU A 67 9.092 -1.931 0.275 1.00 74.44 H new ATOM 0 HD21 LEU A 67 11.077 -4.098 -0.751 1.00 31.40 H new ATOM 0 HD22 LEU A 67 11.464 -2.361 -0.773 1.00 31.40 H new ATOM 0 HD23 LEU A 67 12.551 -3.505 0.051 1.00 31.40 H new ATOM 1117 N ASP A 68 12.537 -2.305 4.754 1.00 32.15 N ATOM 1118 CA ASP A 68 13.291 -3.135 5.719 1.00 24.02 C ATOM 1119 C ASP A 68 13.086 -2.642 7.168 1.00 33.23 C ATOM 1120 O ASP A 68 13.497 -3.323 8.111 1.00 23.14 O ATOM 1121 CB ASP A 68 14.786 -3.147 5.352 1.00 50.40 C ATOM 1122 CG ASP A 68 15.024 -3.602 3.905 1.00 73.33 C ATOM 1123 OD1 ASP A 68 14.999 -2.747 2.998 1.00 42.21 O ATOM 1124 OD2 ASP A 68 15.215 -4.817 3.666 1.00 72.14 O ATOM 0 H ASP A 68 13.070 -1.521 4.378 1.00 32.15 H new ATOM 0 HA ASP A 68 12.907 -4.154 5.663 1.00 24.02 H new ATOM 0 HB2 ASP A 68 15.200 -2.148 5.490 1.00 50.40 H new ATOM 0 HB3 ASP A 68 15.320 -3.810 6.032 1.00 50.40 H new ATOM 1129 N LYS A 69 12.475 -1.441 7.344 1.00 73.24 N ATOM 1130 CA LYS A 69 11.968 -0.998 8.659 1.00 1.42 C ATOM 1131 C LYS A 69 10.795 -1.918 9.078 1.00 15.21 C ATOM 1132 O LYS A 69 9.632 -1.657 8.747 1.00 45.00 O ATOM 1133 CB LYS A 69 11.513 0.494 8.631 1.00 33.44 C ATOM 1134 CG LYS A 69 12.578 1.495 8.129 1.00 71.22 C ATOM 1135 CD LYS A 69 13.884 1.487 8.952 1.00 71.23 C ATOM 1136 CE LYS A 69 14.916 2.508 8.423 1.00 4.20 C ATOM 1137 NZ LYS A 69 15.360 2.209 7.031 1.00 74.45 N ATOM 0 H LYS A 69 12.325 -0.769 6.592 1.00 73.24 H new ATOM 0 HA LYS A 69 12.775 -1.069 9.388 1.00 1.42 H new ATOM 0 HB2 LYS A 69 10.631 0.577 7.996 1.00 33.44 H new ATOM 0 HB3 LYS A 69 11.210 0.784 9.637 1.00 33.44 H new ATOM 0 HG2 LYS A 69 12.814 1.268 7.089 1.00 71.22 H new ATOM 0 HG3 LYS A 69 12.155 2.499 8.147 1.00 71.22 H new ATOM 0 HD2 LYS A 69 13.656 1.711 9.994 1.00 71.23 H new ATOM 0 HD3 LYS A 69 14.320 0.488 8.929 1.00 71.23 H new ATOM 0 HE2 LYS A 69 14.482 3.507 8.455 1.00 4.20 H new ATOM 0 HE3 LYS A 69 15.784 2.517 9.083 1.00 4.20 H new ATOM 0 HZ1 LYS A 69 15.985 2.969 6.695 1.00 74.45 H new ATOM 0 HZ2 LYS A 69 15.875 1.306 7.017 1.00 74.45 H new ATOM 0 HZ3 LYS A 69 14.530 2.143 6.408 1.00 74.45 H new ATOM 1151 N LYS A 70 11.139 -3.027 9.767 1.00 24.23 N ATOM 1152 CA LYS A 70 10.196 -4.118 10.111 1.00 61.24 C ATOM 1153 C LYS A 70 9.065 -3.668 11.078 1.00 4.13 C ATOM 1154 O LYS A 70 8.009 -4.312 11.148 1.00 50.24 O ATOM 1155 CB LYS A 70 10.987 -5.337 10.657 1.00 45.44 C ATOM 1156 CG LYS A 70 11.906 -5.993 9.594 1.00 44.11 C ATOM 1157 CD LYS A 70 12.709 -7.207 10.127 1.00 11.41 C ATOM 1158 CE LYS A 70 13.738 -6.832 11.211 1.00 62.44 C ATOM 1159 NZ LYS A 70 14.586 -7.993 11.602 1.00 21.52 N ATOM 0 H LYS A 70 12.087 -3.194 10.104 1.00 24.23 H new ATOM 0 HA LYS A 70 9.681 -4.414 9.197 1.00 61.24 H new ATOM 0 HB2 LYS A 70 11.593 -5.019 11.505 1.00 45.44 H new ATOM 0 HB3 LYS A 70 10.283 -6.082 11.029 1.00 45.44 H new ATOM 0 HG2 LYS A 70 11.297 -6.314 8.749 1.00 44.11 H new ATOM 0 HG3 LYS A 70 12.603 -5.244 9.218 1.00 44.11 H new ATOM 0 HD2 LYS A 70 12.015 -7.942 10.534 1.00 11.41 H new ATOM 0 HD3 LYS A 70 13.227 -7.684 9.295 1.00 11.41 H new ATOM 0 HE2 LYS A 70 14.374 -6.026 10.844 1.00 62.44 H new ATOM 0 HE3 LYS A 70 13.217 -6.452 12.090 1.00 62.44 H new ATOM 0 HZ1 LYS A 70 15.264 -7.697 12.333 1.00 21.52 H new ATOM 0 HZ2 LYS A 70 13.983 -8.753 11.977 1.00 21.52 H new ATOM 0 HZ3 LYS A 70 15.104 -8.341 10.770 1.00 21.52 H new ATOM 1173 N LYS A 71 9.306 -2.545 11.787 1.00 3.14 N ATOM 1174 CA LYS A 71 8.297 -1.836 12.612 1.00 62.41 C ATOM 1175 C LYS A 71 7.055 -1.421 11.768 1.00 63.34 C ATOM 1176 O LYS A 71 5.903 -1.609 12.185 1.00 31.13 O ATOM 1177 CB LYS A 71 8.958 -0.575 13.257 1.00 23.12 C ATOM 1178 CG LYS A 71 8.003 0.338 14.064 1.00 52.54 C ATOM 1179 CD LYS A 71 8.677 1.649 14.534 1.00 74.01 C ATOM 1180 CE LYS A 71 7.672 2.660 15.119 1.00 43.12 C ATOM 1181 NZ LYS A 71 6.972 2.136 16.321 1.00 73.10 N ATOM 0 H LYS A 71 10.222 -2.096 11.804 1.00 3.14 H new ATOM 0 HA LYS A 71 7.949 -2.514 13.392 1.00 62.41 H new ATOM 0 HB2 LYS A 71 9.761 -0.904 13.916 1.00 23.12 H new ATOM 0 HB3 LYS A 71 9.417 0.018 12.466 1.00 23.12 H new ATOM 0 HG2 LYS A 71 7.136 0.581 13.450 1.00 52.54 H new ATOM 0 HG3 LYS A 71 7.635 -0.207 14.933 1.00 52.54 H new ATOM 0 HD2 LYS A 71 9.430 1.416 15.286 1.00 74.01 H new ATOM 0 HD3 LYS A 71 9.198 2.106 13.693 1.00 74.01 H new ATOM 0 HE2 LYS A 71 8.196 3.579 15.380 1.00 43.12 H new ATOM 0 HE3 LYS A 71 6.936 2.918 14.357 1.00 43.12 H new ATOM 0 HZ1 LYS A 71 6.308 2.853 16.676 1.00 73.10 H new ATOM 0 HZ2 LYS A 71 6.448 1.273 16.069 1.00 73.10 H new ATOM 0 HZ3 LYS A 71 7.670 1.914 17.060 1.00 73.10 H new ATOM 1195 N TYR A 72 7.318 -0.910 10.550 1.00 54.34 N ATOM 1196 CA TYR A 72 6.291 -0.279 9.687 1.00 51.44 C ATOM 1197 C TYR A 72 5.510 -1.267 8.803 1.00 23.45 C ATOM 1198 O TYR A 72 4.631 -0.846 8.047 1.00 14.12 O ATOM 1199 CB TYR A 72 6.958 0.818 8.824 1.00 74.01 C ATOM 1200 CG TYR A 72 7.236 2.091 9.623 1.00 63.12 C ATOM 1201 CD1 TYR A 72 8.425 2.268 10.344 1.00 43.43 C ATOM 1202 CD2 TYR A 72 6.282 3.106 9.688 1.00 3.44 C ATOM 1203 CE1 TYR A 72 8.641 3.413 11.087 1.00 51.24 C ATOM 1204 CE2 TYR A 72 6.497 4.237 10.431 1.00 3.21 C ATOM 1205 CZ TYR A 72 7.673 4.392 11.126 1.00 4.53 C ATOM 1206 OH TYR A 72 7.876 5.529 11.866 1.00 5.52 O ATOM 0 H TYR A 72 8.249 -0.921 10.133 1.00 54.34 H new ATOM 0 HA TYR A 72 5.545 0.155 10.353 1.00 51.44 H new ATOM 0 HB2 TYR A 72 7.893 0.437 8.414 1.00 74.01 H new ATOM 0 HB3 TYR A 72 6.312 1.055 7.978 1.00 74.01 H new ATOM 0 HD1 TYR A 72 9.183 1.499 10.318 1.00 43.43 H new ATOM 0 HD2 TYR A 72 5.356 2.999 9.142 1.00 3.44 H new ATOM 0 HE1 TYR A 72 9.564 3.539 11.634 1.00 51.24 H new ATOM 0 HE2 TYR A 72 5.742 5.008 10.471 1.00 3.21 H new ATOM 0 HH TYR A 72 7.012 5.894 12.149 1.00 5.52 H new ATOM 1216 N HIS A 73 5.792 -2.566 8.916 1.00 61.01 N ATOM 1217 CA HIS A 73 5.062 -3.598 8.150 1.00 35.51 C ATOM 1218 C HIS A 73 3.592 -3.698 8.607 1.00 24.10 C ATOM 1219 O HIS A 73 2.698 -3.961 7.813 1.00 33.43 O ATOM 1220 CB HIS A 73 5.762 -4.963 8.298 1.00 63.34 C ATOM 1221 CG HIS A 73 7.144 -5.026 7.700 1.00 73.33 C ATOM 1222 ND1 HIS A 73 7.770 -6.207 7.375 1.00 41.12 N ATOM 1223 CD2 HIS A 73 8.025 -4.048 7.378 1.00 64.34 C ATOM 1224 CE1 HIS A 73 8.960 -5.953 6.889 1.00 72.35 C ATOM 1225 NE2 HIS A 73 9.144 -4.656 6.884 1.00 51.12 N ATOM 0 H HIS A 73 6.519 -2.936 9.528 1.00 61.01 H new ATOM 0 HA HIS A 73 5.068 -3.307 7.100 1.00 35.51 H new ATOM 0 HB2 HIS A 73 5.827 -5.211 9.358 1.00 63.34 H new ATOM 0 HB3 HIS A 73 5.142 -5.727 7.829 1.00 63.34 H new ATOM 0 HD2 HIS A 73 7.871 -2.985 7.491 1.00 64.34 H new ATOM 0 HE1 HIS A 73 9.671 -6.691 6.549 1.00 72.35 H new ATOM 0 HE2 HIS A 73 9.986 -4.178 6.563 1.00 51.12 H new ATOM 1234 N ASN A 74 3.358 -3.501 9.903 1.00 41.22 N ATOM 1235 CA ASN A 74 1.998 -3.530 10.491 1.00 73.55 C ATOM 1236 C ASN A 74 1.419 -2.103 10.671 1.00 1.10 C ATOM 1237 O ASN A 74 0.370 -1.932 11.294 1.00 21.23 O ATOM 1238 CB ASN A 74 2.055 -4.293 11.841 1.00 63.12 C ATOM 1239 CG ASN A 74 2.928 -5.547 11.742 1.00 75.05 C ATOM 1240 OD1 ASN A 74 4.097 -5.524 12.094 1.00 3.24 O ATOM 1241 ND2 ASN A 74 2.401 -6.608 11.180 1.00 75.13 N ATOM 0 H ASN A 74 4.096 -3.316 10.583 1.00 41.22 H new ATOM 0 HA ASN A 74 1.325 -4.049 9.808 1.00 73.55 H new ATOM 0 HB2 ASN A 74 2.449 -3.635 12.615 1.00 63.12 H new ATOM 0 HB3 ASN A 74 1.046 -4.574 12.144 1.00 63.12 H new ATOM 0 HD21 ASN A 74 2.970 -7.440 11.028 1.00 75.13 H new ATOM 0 HD22 ASN A 74 1.422 -6.601 10.895 1.00 75.13 H new ATOM 1248 N ASP A 75 2.108 -1.084 10.113 1.00 43.51 N ATOM 1249 CA ASP A 75 1.691 0.330 10.213 1.00 34.25 C ATOM 1250 C ASP A 75 0.586 0.660 9.158 1.00 13.23 C ATOM 1251 O ASP A 75 0.850 0.612 7.943 1.00 0.15 O ATOM 1252 CB ASP A 75 2.917 1.253 10.025 1.00 33.01 C ATOM 1253 CG ASP A 75 2.643 2.717 10.402 1.00 64.44 C ATOM 1254 OD1 ASP A 75 2.082 3.457 9.585 1.00 21.52 O ATOM 1255 OD2 ASP A 75 2.977 3.128 11.529 1.00 44.11 O ATOM 0 H ASP A 75 2.968 -1.219 9.581 1.00 43.51 H new ATOM 0 HA ASP A 75 1.269 0.501 11.203 1.00 34.25 H new ATOM 0 HB2 ASP A 75 3.741 0.878 10.632 1.00 33.01 H new ATOM 0 HB3 ASP A 75 3.240 1.208 8.985 1.00 33.01 H new ATOM 1260 N PRO A 76 -0.655 1.049 9.608 1.00 12.14 N ATOM 1261 CA PRO A 76 -1.800 1.288 8.691 1.00 4.14 C ATOM 1262 C PRO A 76 -1.600 2.517 7.774 1.00 62.33 C ATOM 1263 O PRO A 76 -2.139 2.544 6.673 1.00 42.30 O ATOM 1264 CB PRO A 76 -2.997 1.478 9.656 1.00 45.31 C ATOM 1265 CG PRO A 76 -2.380 1.989 10.925 1.00 61.41 C ATOM 1266 CD PRO A 76 -1.033 1.304 11.026 1.00 31.42 C ATOM 0 HA PRO A 76 -1.938 0.466 7.988 1.00 4.14 H new ATOM 0 HB2 PRO A 76 -3.722 2.186 9.254 1.00 45.31 H new ATOM 0 HB3 PRO A 76 -3.526 0.539 9.822 1.00 45.31 H new ATOM 0 HG2 PRO A 76 -2.268 3.073 10.898 1.00 61.41 H new ATOM 0 HG3 PRO A 76 -3.005 1.755 11.787 1.00 61.41 H new ATOM 0 HD2 PRO A 76 -0.300 1.936 11.528 1.00 31.42 H new ATOM 0 HD3 PRO A 76 -1.098 0.377 11.595 1.00 31.42 H new ATOM 1274 N ARG A 77 -0.817 3.522 8.241 1.00 53.01 N ATOM 1275 CA ARG A 77 -0.456 4.713 7.436 1.00 22.32 C ATOM 1276 C ARG A 77 0.471 4.324 6.277 1.00 2.00 C ATOM 1277 O ARG A 77 0.148 4.594 5.131 1.00 20.34 O ATOM 1278 CB ARG A 77 0.213 5.814 8.310 1.00 32.51 C ATOM 1279 CG ARG A 77 -0.755 6.656 9.157 1.00 53.41 C ATOM 1280 CD ARG A 77 -1.597 7.620 8.303 1.00 22.33 C ATOM 1281 NE ARG A 77 -2.499 8.440 9.130 1.00 54.32 N ATOM 1282 CZ ARG A 77 -2.483 9.753 9.214 1.00 71.43 C ATOM 1283 NH1 ARG A 77 -1.586 10.457 8.599 1.00 34.12 N ATOM 1284 NH2 ARG A 77 -3.358 10.353 9.947 1.00 12.25 N ATOM 0 H ARG A 77 -0.421 3.529 9.181 1.00 53.01 H new ATOM 0 HA ARG A 77 -1.380 5.122 7.028 1.00 22.32 H new ATOM 0 HB2 ARG A 77 0.934 5.339 8.976 1.00 32.51 H new ATOM 0 HB3 ARG A 77 0.775 6.482 7.657 1.00 32.51 H new ATOM 0 HG2 ARG A 77 -1.419 5.993 9.712 1.00 53.41 H new ATOM 0 HG3 ARG A 77 -0.188 7.227 9.892 1.00 53.41 H new ATOM 0 HD2 ARG A 77 -0.936 8.271 7.732 1.00 22.33 H new ATOM 0 HD3 ARG A 77 -2.183 7.050 7.582 1.00 22.33 H new ATOM 0 HE ARG A 77 -3.197 7.947 9.686 1.00 54.32 H new ATOM 0 HH11 ARG A 77 -0.873 9.994 8.035 1.00 34.12 H new ATOM 0 HH12 ARG A 77 -1.593 11.474 8.678 1.00 34.12 H new ATOM 0 HH21 ARG A 77 -4.055 9.810 10.456 1.00 12.25 H new ATOM 0 HH22 ARG A 77 -3.353 11.371 10.018 1.00 12.25 H new ATOM 1298 N PHE A 78 1.618 3.692 6.601 1.00 31.40 N ATOM 1299 CA PHE A 78 2.606 3.227 5.607 1.00 42.42 C ATOM 1300 C PHE A 78 1.948 2.363 4.496 1.00 64.12 C ATOM 1301 O PHE A 78 2.181 2.591 3.300 1.00 70.10 O ATOM 1302 CB PHE A 78 3.748 2.435 6.308 1.00 61.14 C ATOM 1303 CG PHE A 78 4.770 1.841 5.336 1.00 73.14 C ATOM 1304 CD1 PHE A 78 5.457 2.661 4.441 1.00 51.24 C ATOM 1305 CD2 PHE A 78 5.019 0.465 5.286 1.00 1.24 C ATOM 1306 CE1 PHE A 78 6.350 2.128 3.543 1.00 43.43 C ATOM 1307 CE2 PHE A 78 5.916 -0.066 4.385 1.00 12.11 C ATOM 1308 CZ PHE A 78 6.581 0.762 3.512 1.00 64.12 C ATOM 0 H PHE A 78 1.886 3.489 7.564 1.00 31.40 H new ATOM 0 HA PHE A 78 3.028 4.109 5.126 1.00 42.42 H new ATOM 0 HB2 PHE A 78 4.263 3.097 7.004 1.00 61.14 H new ATOM 0 HB3 PHE A 78 3.311 1.630 6.899 1.00 61.14 H new ATOM 0 HD1 PHE A 78 5.285 3.727 4.454 1.00 51.24 H new ATOM 0 HD2 PHE A 78 4.499 -0.193 5.966 1.00 1.24 H new ATOM 0 HE1 PHE A 78 6.875 2.777 2.858 1.00 43.43 H new ATOM 0 HE2 PHE A 78 6.096 -1.131 4.365 1.00 12.11 H new ATOM 0 HZ PHE A 78 7.283 0.348 2.803 1.00 64.12 H new ATOM 1318 N ILE A 79 1.110 1.391 4.912 1.00 71.21 N ATOM 1319 CA ILE A 79 0.319 0.561 3.974 1.00 12.25 C ATOM 1320 C ILE A 79 -0.691 1.428 3.180 1.00 20.35 C ATOM 1321 O ILE A 79 -0.844 1.232 1.980 1.00 71.21 O ATOM 1322 CB ILE A 79 -0.402 -0.652 4.715 1.00 24.20 C ATOM 1323 CG1 ILE A 79 0.600 -1.836 4.966 1.00 4.12 C ATOM 1324 CG2 ILE A 79 -1.655 -1.177 3.947 1.00 35.12 C ATOM 1325 CD1 ILE A 79 1.805 -1.531 5.845 1.00 53.40 C ATOM 0 H ILE A 79 0.962 1.160 5.894 1.00 71.21 H new ATOM 0 HA ILE A 79 1.015 0.123 3.259 1.00 12.25 H new ATOM 0 HB ILE A 79 -0.746 -0.258 5.671 1.00 24.20 H new ATOM 0 HG12 ILE A 79 0.048 -2.660 5.418 1.00 4.12 H new ATOM 0 HG13 ILE A 79 0.963 -2.187 4.000 1.00 4.12 H new ATOM 0 HG21 ILE A 79 -2.102 -2.002 4.501 1.00 35.12 H new ATOM 0 HG22 ILE A 79 -2.383 -0.372 3.845 1.00 35.12 H new ATOM 0 HG23 ILE A 79 -1.356 -1.524 2.958 1.00 35.12 H new ATOM 0 HD11 ILE A 79 2.420 -2.426 5.943 1.00 53.40 H new ATOM 0 HD12 ILE A 79 2.394 -0.734 5.391 1.00 53.40 H new ATOM 0 HD13 ILE A 79 1.465 -1.215 6.831 1.00 53.40 H new ATOM 1337 N SER A 80 -1.343 2.403 3.849 1.00 64.50 N ATOM 1338 CA SER A 80 -2.305 3.341 3.196 1.00 1.53 C ATOM 1339 C SER A 80 -1.622 4.227 2.124 1.00 72.41 C ATOM 1340 O SER A 80 -2.259 4.608 1.144 1.00 71.11 O ATOM 1341 CB SER A 80 -2.999 4.238 4.247 1.00 61.10 C ATOM 1342 OG SER A 80 -3.963 5.105 3.662 1.00 72.14 O ATOM 0 H SER A 80 -1.225 2.568 4.849 1.00 64.50 H new ATOM 0 HA SER A 80 -3.053 2.725 2.696 1.00 1.53 H new ATOM 0 HB2 SER A 80 -3.484 3.610 4.994 1.00 61.10 H new ATOM 0 HB3 SER A 80 -2.248 4.832 4.768 1.00 61.10 H new ATOM 0 HG SER A 80 -4.378 5.652 4.361 1.00 72.14 H new ATOM 1348 N TYR A 81 -0.324 4.549 2.317 1.00 33.23 N ATOM 1349 CA TYR A 81 0.479 5.314 1.330 1.00 53.41 C ATOM 1350 C TYR A 81 0.941 4.427 0.163 1.00 44.43 C ATOM 1351 O TYR A 81 1.181 4.926 -0.939 1.00 74.20 O ATOM 1352 CB TYR A 81 1.683 6.016 2.005 1.00 52.23 C ATOM 1353 CG TYR A 81 1.259 7.193 2.897 1.00 50.44 C ATOM 1354 CD1 TYR A 81 0.694 8.343 2.339 1.00 72.12 C ATOM 1355 CD2 TYR A 81 1.387 7.147 4.285 1.00 34.01 C ATOM 1356 CE1 TYR A 81 0.272 9.387 3.133 1.00 11.13 C ATOM 1357 CE2 TYR A 81 0.971 8.190 5.079 1.00 41.35 C ATOM 1358 CZ TYR A 81 0.412 9.308 4.500 1.00 32.34 C ATOM 1359 OH TYR A 81 -0.028 10.345 5.291 1.00 71.42 O ATOM 0 H TYR A 81 0.196 4.289 3.155 1.00 33.23 H new ATOM 0 HA TYR A 81 -0.170 6.086 0.917 1.00 53.41 H new ATOM 0 HB2 TYR A 81 2.232 5.290 2.605 1.00 52.23 H new ATOM 0 HB3 TYR A 81 2.366 6.376 1.236 1.00 52.23 H new ATOM 0 HD1 TYR A 81 0.586 8.415 1.267 1.00 72.12 H new ATOM 0 HD2 TYR A 81 1.822 6.273 4.746 1.00 34.01 H new ATOM 0 HE1 TYR A 81 -0.168 10.265 2.684 1.00 11.13 H new ATOM 0 HE2 TYR A 81 1.082 8.133 6.152 1.00 41.35 H new ATOM 0 HH TYR A 81 0.323 10.235 6.199 1.00 71.42 H new ATOM 1369 N CYS A 82 1.075 3.115 0.421 1.00 72.11 N ATOM 1370 CA CYS A 82 1.244 2.107 -0.644 1.00 64.02 C ATOM 1371 C CYS A 82 -0.065 1.958 -1.467 1.00 21.33 C ATOM 1372 O CYS A 82 -0.023 1.838 -2.688 1.00 10.44 O ATOM 1373 CB CYS A 82 1.685 0.752 -0.047 1.00 41.10 C ATOM 1374 SG CYS A 82 3.260 0.816 0.841 1.00 12.00 S ATOM 0 H CYS A 82 1.070 2.724 1.363 1.00 72.11 H new ATOM 0 HA CYS A 82 2.029 2.446 -1.320 1.00 64.02 H new ATOM 0 HB2 CYS A 82 0.911 0.397 0.633 1.00 41.10 H new ATOM 0 HB3 CYS A 82 1.763 0.020 -0.851 1.00 41.10 H new ATOM 0 HG CYS A 82 3.121 1.526 1.921 1.00 12.00 H new ATOM 1380 N LEU A 83 -1.229 2.012 -0.778 1.00 3.14 N ATOM 1381 CA LEU A 83 -2.571 1.978 -1.424 1.00 3.45 C ATOM 1382 C LEU A 83 -2.822 3.278 -2.230 1.00 21.43 C ATOM 1383 O LEU A 83 -3.462 3.270 -3.288 1.00 62.01 O ATOM 1384 CB LEU A 83 -3.692 1.790 -0.357 1.00 31.23 C ATOM 1385 CG LEU A 83 -3.574 0.533 0.565 1.00 43.23 C ATOM 1386 CD1 LEU A 83 -4.741 0.456 1.568 1.00 74.24 C ATOM 1387 CD2 LEU A 83 -3.445 -0.771 -0.248 1.00 12.24 C ATOM 0 H LEU A 83 -1.269 2.080 0.239 1.00 3.14 H new ATOM 0 HA LEU A 83 -2.594 1.130 -2.108 1.00 3.45 H new ATOM 0 HB2 LEU A 83 -3.712 2.677 0.276 1.00 31.23 H new ATOM 0 HB3 LEU A 83 -4.651 1.745 -0.874 1.00 31.23 H new ATOM 0 HG LEU A 83 -2.653 0.645 1.138 1.00 43.23 H new ATOM 0 HD11 LEU A 83 -4.626 -0.430 2.192 1.00 74.24 H new ATOM 0 HD12 LEU A 83 -4.739 1.346 2.197 1.00 74.24 H new ATOM 0 HD13 LEU A 83 -5.684 0.397 1.025 1.00 74.24 H new ATOM 0 HD21 LEU A 83 -3.366 -1.618 0.433 1.00 12.24 H new ATOM 0 HD22 LEU A 83 -4.325 -0.894 -0.880 1.00 12.24 H new ATOM 0 HD23 LEU A 83 -2.553 -0.723 -0.873 1.00 12.24 H new ATOM 1399 N LYS A 84 -2.289 4.391 -1.697 1.00 64.22 N ATOM 1400 CA LYS A 84 -2.300 5.718 -2.340 1.00 51.04 C ATOM 1401 C LYS A 84 -1.413 5.702 -3.611 1.00 24.34 C ATOM 1402 O LYS A 84 -1.791 6.245 -4.639 1.00 5.40 O ATOM 1403 CB LYS A 84 -1.843 6.789 -1.272 1.00 64.30 C ATOM 1404 CG LYS A 84 -0.941 7.944 -1.768 1.00 63.10 C ATOM 1405 CD LYS A 84 -1.651 8.934 -2.714 1.00 75.30 C ATOM 1406 CE LYS A 84 -2.680 9.809 -2.004 1.00 35.33 C ATOM 1407 NZ LYS A 84 -3.458 10.627 -2.960 1.00 22.01 N ATOM 0 H LYS A 84 -1.828 4.394 -0.787 1.00 64.22 H new ATOM 0 HA LYS A 84 -3.302 5.986 -2.677 1.00 51.04 H new ATOM 0 HB2 LYS A 84 -2.738 7.226 -0.828 1.00 64.30 H new ATOM 0 HB3 LYS A 84 -1.314 6.266 -0.475 1.00 64.30 H new ATOM 0 HG2 LYS A 84 -0.562 8.491 -0.905 1.00 63.10 H new ATOM 0 HG3 LYS A 84 -0.078 7.522 -2.282 1.00 63.10 H new ATOM 0 HD2 LYS A 84 -0.905 9.572 -3.188 1.00 75.30 H new ATOM 0 HD3 LYS A 84 -2.145 8.376 -3.510 1.00 75.30 H new ATOM 0 HE2 LYS A 84 -3.358 9.179 -1.429 1.00 35.33 H new ATOM 0 HE3 LYS A 84 -2.173 10.463 -1.294 1.00 35.33 H new ATOM 0 HZ1 LYS A 84 -3.360 11.633 -2.716 1.00 22.01 H new ATOM 0 HZ2 LYS A 84 -3.101 10.468 -3.924 1.00 22.01 H new ATOM 0 HZ3 LYS A 84 -4.461 10.355 -2.913 1.00 22.01 H new ATOM 1421 N PHE A 85 -0.236 5.079 -3.516 1.00 32.03 N ATOM 1422 CA PHE A 85 0.686 4.897 -4.657 1.00 5.35 C ATOM 1423 C PHE A 85 0.075 3.981 -5.741 1.00 73.11 C ATOM 1424 O PHE A 85 0.255 4.218 -6.938 1.00 63.33 O ATOM 1425 CB PHE A 85 2.010 4.317 -4.113 1.00 34.13 C ATOM 1426 CG PHE A 85 3.075 3.953 -5.146 1.00 1.30 C ATOM 1427 CD1 PHE A 85 3.881 4.932 -5.718 1.00 23.03 C ATOM 1428 CD2 PHE A 85 3.307 2.620 -5.502 1.00 14.13 C ATOM 1429 CE1 PHE A 85 4.884 4.590 -6.607 1.00 23.44 C ATOM 1430 CE2 PHE A 85 4.299 2.282 -6.395 1.00 72.01 C ATOM 1431 CZ PHE A 85 5.092 3.267 -6.949 1.00 22.32 C ATOM 0 H PHE A 85 0.113 4.682 -2.644 1.00 32.03 H new ATOM 0 HA PHE A 85 0.870 5.858 -5.137 1.00 5.35 H new ATOM 0 HB2 PHE A 85 2.440 5.041 -3.421 1.00 34.13 H new ATOM 0 HB3 PHE A 85 1.778 3.423 -3.534 1.00 34.13 H new ATOM 0 HD1 PHE A 85 3.722 5.970 -5.465 1.00 23.03 H new ATOM 0 HD2 PHE A 85 2.697 1.842 -5.068 1.00 14.13 H new ATOM 0 HE1 PHE A 85 5.508 5.360 -7.036 1.00 23.44 H new ATOM 0 HE2 PHE A 85 4.457 1.247 -6.662 1.00 72.01 H new ATOM 0 HZ PHE A 85 5.873 3.005 -7.648 1.00 22.32 H new ATOM 1441 N ALA A 86 -0.675 2.964 -5.283 1.00 42.23 N ATOM 1442 CA ALA A 86 -1.262 1.911 -6.132 1.00 1.42 C ATOM 1443 C ALA A 86 -2.133 2.467 -7.284 1.00 3.52 C ATOM 1444 O ALA A 86 -1.970 2.067 -8.437 1.00 53.15 O ATOM 1445 CB ALA A 86 -2.082 0.949 -5.261 1.00 13.44 C ATOM 0 H ALA A 86 -0.895 2.848 -4.294 1.00 42.23 H new ATOM 0 HA ALA A 86 -0.434 1.382 -6.604 1.00 1.42 H new ATOM 0 HB1 ALA A 86 -2.516 0.170 -5.888 1.00 13.44 H new ATOM 0 HB2 ALA A 86 -1.433 0.493 -4.513 1.00 13.44 H new ATOM 0 HB3 ALA A 86 -2.880 1.500 -4.762 1.00 13.44 H new ATOM 1451 N GLU A 87 -3.022 3.423 -6.970 1.00 75.23 N ATOM 1452 CA GLU A 87 -3.973 3.997 -7.962 1.00 11.25 C ATOM 1453 C GLU A 87 -3.260 4.673 -9.171 1.00 35.11 C ATOM 1454 O GLU A 87 -3.824 4.760 -10.265 1.00 54.32 O ATOM 1455 CB GLU A 87 -4.919 5.007 -7.259 1.00 63.50 C ATOM 1456 CG GLU A 87 -4.193 6.209 -6.614 1.00 33.50 C ATOM 1457 CD GLU A 87 -5.093 7.141 -5.782 1.00 1.14 C ATOM 1458 OE1 GLU A 87 -5.866 6.636 -4.943 1.00 35.01 O ATOM 1459 OE2 GLU A 87 -5.021 8.381 -5.950 1.00 11.10 O ATOM 0 H GLU A 87 -3.109 3.822 -6.036 1.00 75.23 H new ATOM 0 HA GLU A 87 -4.551 3.167 -8.369 1.00 11.25 H new ATOM 0 HB2 GLU A 87 -5.640 5.380 -7.987 1.00 63.50 H new ATOM 0 HB3 GLU A 87 -5.485 4.483 -6.489 1.00 63.50 H new ATOM 0 HG2 GLU A 87 -3.395 5.832 -5.974 1.00 33.50 H new ATOM 0 HG3 GLU A 87 -3.719 6.794 -7.402 1.00 33.50 H new ATOM 1466 N TYR A 88 -2.007 5.116 -8.962 1.00 4.43 N ATOM 1467 CA TYR A 88 -1.198 5.783 -10.008 1.00 24.53 C ATOM 1468 C TYR A 88 -0.469 4.762 -10.922 1.00 42.30 C ATOM 1469 O TYR A 88 -0.134 5.075 -12.066 1.00 4.41 O ATOM 1470 CB TYR A 88 -0.166 6.733 -9.348 1.00 70.04 C ATOM 1471 CG TYR A 88 -0.787 7.779 -8.404 1.00 21.51 C ATOM 1472 CD1 TYR A 88 -1.785 8.652 -8.853 1.00 4.50 C ATOM 1473 CD2 TYR A 88 -0.408 7.881 -7.060 1.00 0.54 C ATOM 1474 CE1 TYR A 88 -2.366 9.575 -8.008 1.00 50.32 C ATOM 1475 CE2 TYR A 88 -0.996 8.798 -6.217 1.00 11.31 C ATOM 1476 CZ TYR A 88 -1.973 9.640 -6.690 1.00 11.13 C ATOM 1477 OH TYR A 88 -2.583 10.535 -5.835 1.00 5.50 O ATOM 0 H TYR A 88 -1.525 5.024 -8.068 1.00 4.43 H new ATOM 0 HA TYR A 88 -1.880 6.356 -10.636 1.00 24.53 H new ATOM 0 HB2 TYR A 88 0.554 6.137 -8.788 1.00 70.04 H new ATOM 0 HB3 TYR A 88 0.388 7.250 -10.131 1.00 70.04 H new ATOM 0 HD1 TYR A 88 -2.107 8.602 -9.883 1.00 4.50 H new ATOM 0 HD2 TYR A 88 0.361 7.227 -6.676 1.00 0.54 H new ATOM 0 HE1 TYR A 88 -3.127 10.245 -8.379 1.00 50.32 H new ATOM 0 HE2 TYR A 88 -0.689 8.855 -5.183 1.00 11.31 H new ATOM 0 HH TYR A 88 -3.551 10.382 -5.838 1.00 5.50 H new ATOM 1487 N ASN A 89 -0.224 3.542 -10.403 1.00 12.24 N ATOM 1488 CA ASN A 89 0.558 2.493 -11.110 1.00 72.34 C ATOM 1489 C ASN A 89 -0.348 1.377 -11.678 1.00 25.25 C ATOM 1490 O ASN A 89 -1.340 0.994 -11.061 1.00 14.53 O ATOM 1491 CB ASN A 89 1.614 1.889 -10.153 1.00 31.32 C ATOM 1492 CG ASN A 89 2.679 2.907 -9.750 1.00 10.23 C ATOM 1493 OD1 ASN A 89 3.758 2.965 -10.322 1.00 4.50 O ATOM 1494 ND2 ASN A 89 2.373 3.740 -8.788 1.00 31.34 N ATOM 0 H ASN A 89 -0.559 3.251 -9.485 1.00 12.24 H new ATOM 0 HA ASN A 89 1.058 2.966 -11.955 1.00 72.34 H new ATOM 0 HB2 ASN A 89 1.118 1.512 -9.259 1.00 31.32 H new ATOM 0 HB3 ASN A 89 2.093 1.037 -10.635 1.00 31.32 H new ATOM 0 HD21 ASN A 89 3.041 4.456 -8.502 1.00 31.34 H new ATOM 0 HD22 ASN A 89 1.467 3.673 -8.325 1.00 31.34 H new ATOM 1501 N SER A 90 0.022 0.862 -12.870 1.00 35.34 N ATOM 1502 CA SER A 90 -0.670 -0.284 -13.520 1.00 32.24 C ATOM 1503 C SER A 90 0.011 -1.633 -13.196 1.00 4.11 C ATOM 1504 O SER A 90 -0.404 -2.674 -13.700 1.00 23.41 O ATOM 1505 CB SER A 90 -0.722 -0.074 -15.053 1.00 50.22 C ATOM 1506 OG SER A 90 -1.505 1.062 -15.393 1.00 44.20 O ATOM 0 H SER A 90 0.806 1.224 -13.412 1.00 35.34 H new ATOM 0 HA SER A 90 -1.683 -0.322 -13.120 1.00 32.24 H new ATOM 0 HB2 SER A 90 0.290 0.050 -15.440 1.00 50.22 H new ATOM 0 HB3 SER A 90 -1.139 -0.961 -15.530 1.00 50.22 H new ATOM 0 HG SER A 90 -1.518 1.171 -16.367 1.00 44.20 H new ATOM 1512 N ASP A 91 1.036 -1.602 -12.329 1.00 23.44 N ATOM 1513 CA ASP A 91 1.855 -2.785 -11.972 1.00 30.32 C ATOM 1514 C ASP A 91 1.403 -3.393 -10.613 1.00 71.10 C ATOM 1515 O ASP A 91 2.233 -3.815 -9.817 1.00 21.25 O ATOM 1516 CB ASP A 91 3.346 -2.353 -11.913 1.00 12.34 C ATOM 1517 CG ASP A 91 3.836 -1.702 -13.216 1.00 60.44 C ATOM 1518 OD1 ASP A 91 3.617 -0.488 -13.400 1.00 75.42 O ATOM 1519 OD2 ASP A 91 4.445 -2.393 -14.053 1.00 11.45 O ATOM 0 H ASP A 91 1.327 -0.750 -11.849 1.00 23.44 H new ATOM 0 HA ASP A 91 1.723 -3.558 -12.729 1.00 30.32 H new ATOM 0 HB2 ASP A 91 3.483 -1.652 -11.090 1.00 12.34 H new ATOM 0 HB3 ASP A 91 3.963 -3.225 -11.695 1.00 12.34 H new ATOM 1524 N LEU A 92 0.077 -3.500 -10.404 1.00 24.14 N ATOM 1525 CA LEU A 92 -0.527 -3.829 -9.084 1.00 12.14 C ATOM 1526 C LEU A 92 -0.406 -5.321 -8.690 1.00 44.32 C ATOM 1527 O LEU A 92 -0.126 -5.623 -7.523 1.00 74.15 O ATOM 1528 CB LEU A 92 -2.001 -3.369 -9.059 1.00 24.12 C ATOM 1529 CG LEU A 92 -2.225 -1.844 -9.288 1.00 55.25 C ATOM 1530 CD1 LEU A 92 -3.709 -1.452 -9.145 1.00 13.11 C ATOM 1531 CD2 LEU A 92 -1.331 -1.014 -8.347 1.00 21.45 C ATOM 0 H LEU A 92 -0.613 -3.362 -11.142 1.00 24.14 H new ATOM 0 HA LEU A 92 0.047 -3.286 -8.333 1.00 12.14 H new ATOM 0 HB2 LEU A 92 -2.549 -3.919 -9.824 1.00 24.12 H new ATOM 0 HB3 LEU A 92 -2.434 -3.643 -8.097 1.00 24.12 H new ATOM 0 HG LEU A 92 -1.937 -1.620 -10.315 1.00 55.25 H new ATOM 0 HD11 LEU A 92 -3.820 -0.381 -9.312 1.00 13.11 H new ATOM 0 HD12 LEU A 92 -4.302 -1.997 -9.879 1.00 13.11 H new ATOM 0 HD13 LEU A 92 -4.056 -1.700 -8.142 1.00 13.11 H new ATOM 0 HD21 LEU A 92 -1.503 0.048 -8.524 1.00 21.45 H new ATOM 0 HD22 LEU A 92 -1.572 -1.253 -7.311 1.00 21.45 H new ATOM 0 HD23 LEU A 92 -0.284 -1.248 -8.539 1.00 21.45 H new ATOM 1543 N HIS A 93 -0.654 -6.247 -9.642 1.00 33.12 N ATOM 1544 CA HIS A 93 -0.385 -7.706 -9.451 1.00 30.14 C ATOM 1545 C HIS A 93 1.067 -7.954 -8.947 1.00 13.44 C ATOM 1546 O HIS A 93 1.303 -8.830 -8.109 1.00 25.52 O ATOM 1547 CB HIS A 93 -0.654 -8.464 -10.789 1.00 32.31 C ATOM 1548 CG HIS A 93 -0.277 -9.931 -10.810 1.00 44.32 C ATOM 1549 ND1 HIS A 93 -1.162 -10.950 -10.551 1.00 74.22 N ATOM 1550 CD2 HIS A 93 0.905 -10.543 -11.092 1.00 64.22 C ATOM 1551 CE1 HIS A 93 -0.547 -12.109 -10.666 1.00 25.20 C ATOM 1552 NE2 HIS A 93 0.702 -11.887 -10.995 1.00 24.55 N ATOM 0 H HIS A 93 -1.042 -6.017 -10.557 1.00 33.12 H new ATOM 0 HA HIS A 93 -1.058 -8.089 -8.684 1.00 30.14 H new ATOM 0 HB2 HIS A 93 -1.715 -8.379 -11.025 1.00 32.31 H new ATOM 0 HB3 HIS A 93 -0.109 -7.958 -11.586 1.00 32.31 H new ATOM 0 HD2 HIS A 93 1.834 -10.054 -11.346 1.00 64.22 H new ATOM 0 HE1 HIS A 93 -0.996 -13.079 -10.515 1.00 25.20 H new ATOM 0 HE2 HIS A 93 1.409 -12.605 -11.153 1.00 24.55 H new ATOM 1561 N GLN A 94 2.016 -7.161 -9.477 1.00 11.51 N ATOM 1562 CA GLN A 94 3.438 -7.202 -9.074 1.00 62.43 C ATOM 1563 C GLN A 94 3.663 -6.494 -7.715 1.00 3.02 C ATOM 1564 O GLN A 94 4.352 -7.015 -6.840 1.00 14.44 O ATOM 1565 CB GLN A 94 4.304 -6.512 -10.160 1.00 24.43 C ATOM 1566 CG GLN A 94 4.177 -7.127 -11.568 1.00 64.30 C ATOM 1567 CD GLN A 94 4.964 -6.378 -12.643 1.00 23.33 C ATOM 1568 OE1 GLN A 94 5.157 -5.171 -12.573 1.00 13.42 O ATOM 1569 NE2 GLN A 94 5.408 -7.083 -13.660 1.00 72.43 N ATOM 0 H GLN A 94 1.819 -6.470 -10.201 1.00 11.51 H new ATOM 0 HA GLN A 94 3.728 -8.247 -8.967 1.00 62.43 H new ATOM 0 HB2 GLN A 94 4.028 -5.459 -10.212 1.00 24.43 H new ATOM 0 HB3 GLN A 94 5.349 -6.553 -9.853 1.00 24.43 H new ATOM 0 HG2 GLN A 94 4.520 -8.161 -11.535 1.00 64.30 H new ATOM 0 HG3 GLN A 94 3.125 -7.149 -11.851 1.00 64.30 H new ATOM 0 HE21 GLN A 94 5.236 -8.088 -13.698 1.00 72.43 H new ATOM 0 HE22 GLN A 94 5.925 -6.625 -14.411 1.00 72.43 H new ATOM 1578 N PHE A 95 3.047 -5.308 -7.573 1.00 51.43 N ATOM 1579 CA PHE A 95 3.248 -4.381 -6.442 1.00 64.33 C ATOM 1580 C PHE A 95 2.752 -4.968 -5.103 1.00 10.34 C ATOM 1581 O PHE A 95 3.541 -5.143 -4.173 1.00 60.51 O ATOM 1582 CB PHE A 95 2.529 -3.039 -6.763 1.00 24.21 C ATOM 1583 CG PHE A 95 2.443 -2.049 -5.610 1.00 5.54 C ATOM 1584 CD1 PHE A 95 3.595 -1.606 -4.958 1.00 61.14 C ATOM 1585 CD2 PHE A 95 1.211 -1.555 -5.180 1.00 0.41 C ATOM 1586 CE1 PHE A 95 3.514 -0.710 -3.921 1.00 20.02 C ATOM 1587 CE2 PHE A 95 1.137 -0.662 -4.144 1.00 22.34 C ATOM 1588 CZ PHE A 95 2.288 -0.238 -3.515 1.00 33.42 C ATOM 0 H PHE A 95 2.378 -4.957 -8.258 1.00 51.43 H new ATOM 0 HA PHE A 95 4.318 -4.211 -6.320 1.00 64.33 H new ATOM 0 HB2 PHE A 95 3.047 -2.559 -7.593 1.00 24.21 H new ATOM 0 HB3 PHE A 95 1.518 -3.261 -7.104 1.00 24.21 H new ATOM 0 HD1 PHE A 95 4.561 -1.972 -5.273 1.00 61.14 H new ATOM 0 HD2 PHE A 95 0.305 -1.881 -5.670 1.00 0.41 H new ATOM 0 HE1 PHE A 95 4.413 -0.376 -3.424 1.00 20.02 H new ATOM 0 HE2 PHE A 95 0.176 -0.290 -3.820 1.00 22.34 H new ATOM 0 HZ PHE A 95 2.227 0.468 -2.700 1.00 33.42 H new ATOM 1598 N PHE A 96 1.447 -5.264 -5.021 1.00 20.41 N ATOM 1599 CA PHE A 96 0.830 -5.820 -3.803 1.00 73.33 C ATOM 1600 C PHE A 96 1.441 -7.192 -3.402 1.00 42.33 C ATOM 1601 O PHE A 96 1.509 -7.514 -2.209 1.00 62.23 O ATOM 1602 CB PHE A 96 -0.684 -5.970 -3.995 1.00 62.14 C ATOM 1603 CG PHE A 96 -1.476 -4.670 -4.138 1.00 12.24 C ATOM 1604 CD1 PHE A 96 -1.620 -3.803 -3.055 1.00 65.43 C ATOM 1605 CD2 PHE A 96 -2.112 -4.333 -5.334 1.00 44.24 C ATOM 1606 CE1 PHE A 96 -2.366 -2.646 -3.168 1.00 32.43 C ATOM 1607 CE2 PHE A 96 -2.864 -3.182 -5.440 1.00 23.00 C ATOM 1608 CZ PHE A 96 -2.991 -2.338 -4.360 1.00 44.22 C ATOM 0 H PHE A 96 0.791 -5.127 -5.790 1.00 20.41 H new ATOM 0 HA PHE A 96 1.035 -5.117 -2.995 1.00 73.33 H new ATOM 0 HB2 PHE A 96 -0.859 -6.578 -4.883 1.00 62.14 H new ATOM 0 HB3 PHE A 96 -1.084 -6.524 -3.146 1.00 62.14 H new ATOM 0 HD1 PHE A 96 -1.142 -4.039 -2.116 1.00 65.43 H new ATOM 0 HD2 PHE A 96 -2.014 -4.984 -6.190 1.00 44.24 H new ATOM 0 HE1 PHE A 96 -2.461 -1.981 -2.322 1.00 32.43 H new ATOM 0 HE2 PHE A 96 -3.354 -2.942 -6.372 1.00 23.00 H new ATOM 0 HZ PHE A 96 -3.579 -1.436 -4.445 1.00 44.22 H new ATOM 1618 N GLU A 97 1.873 -7.994 -4.410 1.00 52.11 N ATOM 1619 CA GLU A 97 2.595 -9.258 -4.157 1.00 2.01 C ATOM 1620 C GLU A 97 3.955 -8.979 -3.506 1.00 40.22 C ATOM 1621 O GLU A 97 4.279 -9.587 -2.499 1.00 25.41 O ATOM 1622 CB GLU A 97 2.798 -10.094 -5.450 1.00 61.15 C ATOM 1623 CG GLU A 97 3.449 -11.480 -5.195 1.00 73.33 C ATOM 1624 CD GLU A 97 3.803 -12.242 -6.478 1.00 5.12 C ATOM 1625 OE1 GLU A 97 4.920 -12.052 -7.007 1.00 52.13 O ATOM 1626 OE2 GLU A 97 2.972 -13.026 -6.971 1.00 33.24 O ATOM 0 H GLU A 97 1.732 -7.785 -5.398 1.00 52.11 H new ATOM 0 HA GLU A 97 1.975 -9.843 -3.478 1.00 2.01 H new ATOM 0 HB2 GLU A 97 1.833 -10.239 -5.935 1.00 61.15 H new ATOM 0 HB3 GLU A 97 3.422 -9.530 -6.143 1.00 61.15 H new ATOM 0 HG2 GLU A 97 4.354 -11.343 -4.603 1.00 73.33 H new ATOM 0 HG3 GLU A 97 2.768 -12.087 -4.599 1.00 73.33 H new ATOM 1633 N PHE A 98 4.716 -8.029 -4.089 1.00 31.40 N ATOM 1634 CA PHE A 98 6.060 -7.621 -3.610 1.00 23.45 C ATOM 1635 C PHE A 98 6.016 -7.147 -2.131 1.00 72.53 C ATOM 1636 O PHE A 98 6.911 -7.481 -1.328 1.00 62.10 O ATOM 1637 CB PHE A 98 6.659 -6.530 -4.583 1.00 51.01 C ATOM 1638 CG PHE A 98 7.273 -5.296 -3.914 1.00 35.02 C ATOM 1639 CD1 PHE A 98 8.547 -5.340 -3.347 1.00 61.34 C ATOM 1640 CD2 PHE A 98 6.558 -4.093 -3.829 1.00 52.30 C ATOM 1641 CE1 PHE A 98 9.078 -4.234 -2.721 1.00 33.10 C ATOM 1642 CE2 PHE A 98 7.095 -2.989 -3.204 1.00 23.41 C ATOM 1643 CZ PHE A 98 8.353 -3.058 -2.649 1.00 11.32 C ATOM 0 H PHE A 98 4.413 -7.515 -4.917 1.00 31.40 H new ATOM 0 HA PHE A 98 6.725 -8.485 -3.626 1.00 23.45 H new ATOM 0 HB2 PHE A 98 7.424 -7.003 -5.199 1.00 51.01 H new ATOM 0 HB3 PHE A 98 5.868 -6.198 -5.255 1.00 51.01 H new ATOM 0 HD1 PHE A 98 9.123 -6.252 -3.400 1.00 61.34 H new ATOM 0 HD2 PHE A 98 5.570 -4.031 -4.261 1.00 52.30 H new ATOM 0 HE1 PHE A 98 10.065 -4.285 -2.285 1.00 33.10 H new ATOM 0 HE2 PHE A 98 6.530 -2.070 -3.149 1.00 23.41 H new ATOM 0 HZ PHE A 98 8.774 -2.194 -2.157 1.00 11.32 H new ATOM 1653 N LEU A 99 4.969 -6.371 -1.792 1.00 64.21 N ATOM 1654 CA LEU A 99 4.707 -5.933 -0.413 1.00 73.21 C ATOM 1655 C LEU A 99 4.593 -7.155 0.521 1.00 70.31 C ATOM 1656 O LEU A 99 5.379 -7.309 1.459 1.00 11.35 O ATOM 1657 CB LEU A 99 3.408 -5.078 -0.360 1.00 65.43 C ATOM 1658 CG LEU A 99 3.440 -3.724 -1.143 1.00 74.02 C ATOM 1659 CD1 LEU A 99 2.071 -3.019 -1.103 1.00 14.23 C ATOM 1660 CD2 LEU A 99 4.566 -2.794 -0.623 1.00 4.31 C ATOM 0 H LEU A 99 4.284 -6.032 -2.467 1.00 64.21 H new ATOM 0 HA LEU A 99 5.539 -5.317 -0.073 1.00 73.21 H new ATOM 0 HB2 LEU A 99 2.586 -5.679 -0.749 1.00 65.43 H new ATOM 0 HB3 LEU A 99 3.181 -4.865 0.684 1.00 65.43 H new ATOM 0 HG LEU A 99 3.661 -3.956 -2.185 1.00 74.02 H new ATOM 0 HD11 LEU A 99 2.128 -2.082 -1.656 1.00 14.23 H new ATOM 0 HD12 LEU A 99 1.317 -3.663 -1.556 1.00 14.23 H new ATOM 0 HD13 LEU A 99 1.798 -2.813 -0.068 1.00 14.23 H new ATOM 0 HD21 LEU A 99 4.559 -1.863 -1.189 1.00 4.31 H new ATOM 0 HD22 LEU A 99 4.401 -2.578 0.433 1.00 4.31 H new ATOM 0 HD23 LEU A 99 5.531 -3.286 -0.746 1.00 4.31 H new ATOM 1672 N TYR A 100 3.665 -8.060 0.182 1.00 72.23 N ATOM 1673 CA TYR A 100 3.400 -9.282 0.963 1.00 14.22 C ATOM 1674 C TYR A 100 4.630 -10.258 0.968 1.00 1.44 C ATOM 1675 O TYR A 100 4.808 -11.033 1.912 1.00 54.45 O ATOM 1676 CB TYR A 100 2.118 -9.961 0.415 1.00 5.44 C ATOM 1677 CG TYR A 100 1.619 -11.146 1.255 1.00 11.03 C ATOM 1678 CD1 TYR A 100 1.162 -10.967 2.568 1.00 34.55 C ATOM 1679 CD2 TYR A 100 1.608 -12.445 0.742 1.00 0.54 C ATOM 1680 CE1 TYR A 100 0.718 -12.039 3.323 1.00 10.21 C ATOM 1681 CE2 TYR A 100 1.166 -13.509 1.493 1.00 43.42 C ATOM 1682 CZ TYR A 100 0.724 -13.304 2.782 1.00 25.25 C ATOM 1683 OH TYR A 100 0.278 -14.373 3.529 1.00 24.31 O ATOM 0 H TYR A 100 3.074 -7.967 -0.644 1.00 72.23 H new ATOM 0 HA TYR A 100 3.238 -9.009 2.006 1.00 14.22 H new ATOM 0 HB2 TYR A 100 1.325 -9.216 0.353 1.00 5.44 H new ATOM 0 HB3 TYR A 100 2.310 -10.307 -0.601 1.00 5.44 H new ATOM 0 HD1 TYR A 100 1.156 -9.976 2.998 1.00 34.55 H new ATOM 0 HD2 TYR A 100 1.954 -12.618 -0.266 1.00 0.54 H new ATOM 0 HE1 TYR A 100 0.368 -11.883 4.333 1.00 10.21 H new ATOM 0 HE2 TYR A 100 1.165 -14.504 1.073 1.00 43.42 H new ATOM 0 HH TYR A 100 0.348 -15.194 2.999 1.00 24.31 H new ATOM 1693 N ASN A 101 5.484 -10.177 -0.082 1.00 21.12 N ATOM 1694 CA ASN A 101 6.758 -10.938 -0.174 1.00 53.31 C ATOM 1695 C ASN A 101 7.775 -10.461 0.885 1.00 14.54 C ATOM 1696 O ASN A 101 8.459 -11.279 1.507 1.00 74.21 O ATOM 1697 CB ASN A 101 7.400 -10.809 -1.589 1.00 71.31 C ATOM 1698 CG ASN A 101 6.637 -11.543 -2.691 1.00 64.33 C ATOM 1699 OD1 ASN A 101 6.024 -12.569 -2.456 1.00 43.52 O ATOM 1700 ND2 ASN A 101 6.675 -11.027 -3.903 1.00 51.01 N ATOM 0 H ASN A 101 5.310 -9.581 -0.891 1.00 21.12 H new ATOM 0 HA ASN A 101 6.511 -11.983 0.011 1.00 53.31 H new ATOM 0 HB2 ASN A 101 7.467 -9.753 -1.850 1.00 71.31 H new ATOM 0 HB3 ASN A 101 8.419 -11.193 -1.550 1.00 71.31 H new ATOM 0 HD21 ASN A 101 6.184 -11.488 -4.669 1.00 51.01 H new ATOM 0 HD22 ASN A 101 7.195 -10.167 -4.075 1.00 51.01 H new ATOM 1707 N HIS A 102 7.878 -9.128 1.082 1.00 70.45 N ATOM 1708 CA HIS A 102 8.803 -8.546 2.090 1.00 11.25 C ATOM 1709 C HIS A 102 8.122 -8.439 3.497 1.00 21.23 C ATOM 1710 O HIS A 102 8.703 -7.898 4.440 1.00 2.32 O ATOM 1711 CB HIS A 102 9.336 -7.159 1.599 1.00 55.42 C ATOM 1712 CG HIS A 102 10.611 -6.719 2.292 1.00 12.23 C ATOM 1713 ND1 HIS A 102 10.627 -6.220 3.571 1.00 44.41 N ATOM 1714 CD2 HIS A 102 11.917 -6.781 1.911 1.00 4.23 C ATOM 1715 CE1 HIS A 102 11.862 -6.006 3.955 1.00 74.55 C ATOM 1716 NE2 HIS A 102 12.666 -6.333 2.972 1.00 5.33 N ATOM 0 H HIS A 102 7.338 -8.436 0.562 1.00 70.45 H new ATOM 0 HA HIS A 102 9.655 -9.216 2.202 1.00 11.25 H new ATOM 0 HB2 HIS A 102 9.514 -7.207 0.525 1.00 55.42 H new ATOM 0 HB3 HIS A 102 8.566 -6.405 1.761 1.00 55.42 H new ATOM 0 HD1 HIS A 102 9.799 -6.042 4.139 1.00 44.41 H new ATOM 0 HD2 HIS A 102 12.293 -7.118 0.956 1.00 4.23 H new ATOM 0 HE1 HIS A 102 12.166 -5.625 4.919 1.00 74.55 H new ATOM 1725 N GLY A 103 6.900 -8.984 3.639 1.00 75.12 N ATOM 1726 CA GLY A 103 6.161 -8.956 4.917 1.00 54.24 C ATOM 1727 C GLY A 103 5.430 -7.639 5.203 1.00 21.21 C ATOM 1728 O GLY A 103 4.949 -7.432 6.320 1.00 5.10 O ATOM 0 H GLY A 103 6.401 -9.451 2.882 1.00 75.12 H new ATOM 0 HA2 GLY A 103 5.434 -9.768 4.919 1.00 54.24 H new ATOM 0 HA3 GLY A 103 6.860 -9.152 5.730 1.00 54.24 H new ATOM 1732 N ILE A 104 5.359 -6.745 4.203 1.00 12.02 N ATOM 1733 CA ILE A 104 4.609 -5.476 4.311 1.00 71.40 C ATOM 1734 C ILE A 104 3.081 -5.764 4.322 1.00 60.20 C ATOM 1735 O ILE A 104 2.564 -6.395 3.399 1.00 44.34 O ATOM 1736 CB ILE A 104 4.919 -4.489 3.114 1.00 22.23 C ATOM 1737 CG1 ILE A 104 6.454 -4.309 2.863 1.00 24.12 C ATOM 1738 CG2 ILE A 104 4.227 -3.114 3.321 1.00 62.34 C ATOM 1739 CD1 ILE A 104 7.248 -3.785 4.040 1.00 11.55 C ATOM 0 H ILE A 104 5.816 -6.877 3.301 1.00 12.02 H new ATOM 0 HA ILE A 104 4.925 -5.002 5.240 1.00 71.40 H new ATOM 0 HB ILE A 104 4.503 -4.951 2.219 1.00 22.23 H new ATOM 0 HG12 ILE A 104 6.871 -5.271 2.565 1.00 24.12 H new ATOM 0 HG13 ILE A 104 6.590 -3.628 2.023 1.00 24.12 H new ATOM 0 HG21 ILE A 104 4.460 -2.459 2.481 1.00 62.34 H new ATOM 0 HG22 ILE A 104 3.148 -3.255 3.382 1.00 62.34 H new ATOM 0 HG23 ILE A 104 4.587 -2.661 4.245 1.00 62.34 H new ATOM 0 HD11 ILE A 104 8.298 -3.697 3.761 1.00 11.55 H new ATOM 0 HD12 ILE A 104 6.867 -2.806 4.329 1.00 11.55 H new ATOM 0 HD13 ILE A 104 7.152 -4.474 4.879 1.00 11.55 H new ATOM 1751 N GLY A 105 2.397 -5.320 5.385 1.00 65.11 N ATOM 1752 CA GLY A 105 0.927 -5.351 5.463 1.00 63.35 C ATOM 1753 C GLY A 105 0.314 -6.699 5.829 1.00 10.22 C ATOM 1754 O GLY A 105 -0.847 -6.954 5.496 1.00 33.01 O ATOM 0 H GLY A 105 2.844 -4.930 6.214 1.00 65.11 H new ATOM 0 HA2 GLY A 105 0.605 -4.614 6.198 1.00 63.35 H new ATOM 0 HA3 GLY A 105 0.523 -5.038 4.500 1.00 63.35 H new ATOM 1758 N THR A 106 1.076 -7.551 6.538 1.00 54.42 N ATOM 1759 CA THR A 106 0.595 -8.882 6.982 1.00 12.41 C ATOM 1760 C THR A 106 -0.528 -8.779 8.047 1.00 13.32 C ATOM 1761 O THR A 106 -1.413 -9.640 8.109 1.00 42.04 O ATOM 1762 CB THR A 106 1.764 -9.752 7.536 1.00 2.24 C ATOM 1763 OG1 THR A 106 2.436 -9.043 8.591 1.00 35.54 O ATOM 1764 CG2 THR A 106 2.777 -10.129 6.434 1.00 72.33 C ATOM 0 H THR A 106 2.034 -7.344 6.820 1.00 54.42 H new ATOM 0 HA THR A 106 0.178 -9.365 6.098 1.00 12.41 H new ATOM 0 HB THR A 106 1.335 -10.677 7.921 1.00 2.24 H new ATOM 0 HG1 THR A 106 3.169 -9.592 8.939 1.00 35.54 H new ATOM 0 HG21 THR A 106 3.574 -10.735 6.865 1.00 72.33 H new ATOM 0 HG22 THR A 106 2.271 -10.697 5.653 1.00 72.33 H new ATOM 0 HG23 THR A 106 3.202 -9.222 6.005 1.00 72.33 H new ATOM 1772 N LEU A 107 -0.481 -7.718 8.884 1.00 11.44 N ATOM 1773 CA LEU A 107 -1.562 -7.398 9.857 1.00 22.13 C ATOM 1774 C LEU A 107 -2.416 -6.193 9.386 1.00 5.54 C ATOM 1775 O LEU A 107 -3.085 -5.543 10.196 1.00 61.12 O ATOM 1776 CB LEU A 107 -0.988 -7.145 11.277 1.00 11.22 C ATOM 1777 CG LEU A 107 -0.378 -8.382 12.005 1.00 12.44 C ATOM 1778 CD1 LEU A 107 0.203 -7.990 13.379 1.00 61.10 C ATOM 1779 CD2 LEU A 107 -1.424 -9.506 12.145 1.00 3.55 C ATOM 0 H LEU A 107 0.299 -7.061 8.908 1.00 11.44 H new ATOM 0 HA LEU A 107 -2.216 -8.269 9.908 1.00 22.13 H new ATOM 0 HB2 LEU A 107 -0.218 -6.377 11.203 1.00 11.22 H new ATOM 0 HB3 LEU A 107 -1.784 -6.739 11.901 1.00 11.22 H new ATOM 0 HG LEU A 107 0.443 -8.759 11.395 1.00 12.44 H new ATOM 0 HD11 LEU A 107 0.621 -8.873 13.863 1.00 61.10 H new ATOM 0 HD12 LEU A 107 0.987 -7.245 13.243 1.00 61.10 H new ATOM 0 HD13 LEU A 107 -0.588 -7.575 14.003 1.00 61.10 H new ATOM 0 HD21 LEU A 107 -0.976 -10.358 12.656 1.00 3.55 H new ATOM 0 HD22 LEU A 107 -2.274 -9.142 12.723 1.00 3.55 H new ATOM 0 HD23 LEU A 107 -1.763 -9.813 11.156 1.00 3.55 H new ATOM 1791 N SER A 108 -2.425 -5.935 8.066 1.00 33.40 N ATOM 1792 CA SER A 108 -3.223 -4.842 7.468 1.00 10.44 C ATOM 1793 C SER A 108 -4.255 -5.408 6.470 1.00 22.12 C ATOM 1794 O SER A 108 -3.914 -5.705 5.323 1.00 73.22 O ATOM 1795 CB SER A 108 -2.295 -3.825 6.767 1.00 24.43 C ATOM 1796 OG SER A 108 -1.364 -3.256 7.680 1.00 0.44 O ATOM 0 H SER A 108 -1.886 -6.471 7.386 1.00 33.40 H new ATOM 0 HA SER A 108 -3.762 -4.330 8.265 1.00 10.44 H new ATOM 0 HB2 SER A 108 -1.757 -4.319 5.957 1.00 24.43 H new ATOM 0 HB3 SER A 108 -2.894 -3.034 6.316 1.00 24.43 H new ATOM 0 HG SER A 108 -1.016 -2.417 7.312 1.00 0.44 H new ATOM 1802 N SER A 109 -5.514 -5.566 6.935 1.00 41.14 N ATOM 1803 CA SER A 109 -6.670 -5.992 6.088 1.00 25.05 C ATOM 1804 C SER A 109 -6.854 -5.130 4.802 1.00 22.42 C ATOM 1805 O SER A 109 -6.951 -5.718 3.717 1.00 54.15 O ATOM 1806 CB SER A 109 -7.975 -6.014 6.924 1.00 64.03 C ATOM 1807 OG SER A 109 -9.122 -6.298 6.141 1.00 24.05 O ATOM 0 H SER A 109 -5.767 -5.403 7.910 1.00 41.14 H new ATOM 0 HA SER A 109 -6.441 -7.001 5.744 1.00 25.05 H new ATOM 0 HB2 SER A 109 -7.884 -6.761 7.712 1.00 64.03 H new ATOM 0 HB3 SER A 109 -8.104 -5.049 7.414 1.00 64.03 H new ATOM 0 HG SER A 109 -9.853 -6.591 6.725 1.00 24.05 H new ATOM 1813 N PRO A 110 -6.870 -3.733 4.875 1.00 12.30 N ATOM 1814 CA PRO A 110 -6.962 -2.841 3.669 1.00 55.51 C ATOM 1815 C PRO A 110 -6.024 -3.225 2.483 1.00 32.11 C ATOM 1816 O PRO A 110 -6.362 -2.968 1.324 1.00 41.51 O ATOM 1817 CB PRO A 110 -6.595 -1.431 4.236 1.00 64.40 C ATOM 1818 CG PRO A 110 -6.111 -1.669 5.637 1.00 22.11 C ATOM 1819 CD PRO A 110 -6.839 -2.894 6.109 1.00 4.40 C ATOM 0 HA PRO A 110 -7.954 -2.910 3.222 1.00 55.51 H new ATOM 0 HB2 PRO A 110 -5.824 -0.955 3.631 1.00 64.40 H new ATOM 0 HB3 PRO A 110 -7.461 -0.769 4.228 1.00 64.40 H new ATOM 0 HG2 PRO A 110 -5.032 -1.821 5.659 1.00 22.11 H new ATOM 0 HG3 PRO A 110 -6.326 -0.813 6.277 1.00 22.11 H new ATOM 0 HD2 PRO A 110 -6.315 -3.390 6.926 1.00 4.40 H new ATOM 0 HD3 PRO A 110 -7.841 -2.660 6.468 1.00 4.40 H new ATOM 1827 N LEU A 111 -4.855 -3.835 2.786 1.00 20.21 N ATOM 1828 CA LEU A 111 -3.911 -4.321 1.755 1.00 34.13 C ATOM 1829 C LEU A 111 -4.530 -5.473 0.923 1.00 24.22 C ATOM 1830 O LEU A 111 -4.590 -5.399 -0.311 1.00 2.40 O ATOM 1831 CB LEU A 111 -2.588 -4.819 2.396 1.00 74.33 C ATOM 1832 CG LEU A 111 -1.492 -5.268 1.374 1.00 52.10 C ATOM 1833 CD1 LEU A 111 -0.935 -4.064 0.586 1.00 24.32 C ATOM 1834 CD2 LEU A 111 -0.367 -6.078 2.047 1.00 2.21 C ATOM 0 H LEU A 111 -4.542 -4.003 3.742 1.00 20.21 H new ATOM 0 HA LEU A 111 -3.699 -3.477 1.098 1.00 34.13 H new ATOM 0 HB2 LEU A 111 -2.180 -4.023 3.018 1.00 74.33 H new ATOM 0 HB3 LEU A 111 -2.813 -5.656 3.057 1.00 74.33 H new ATOM 0 HG LEU A 111 -1.973 -5.936 0.660 1.00 52.10 H new ATOM 0 HD11 LEU A 111 -0.176 -4.408 -0.116 1.00 24.32 H new ATOM 0 HD12 LEU A 111 -1.744 -3.582 0.037 1.00 24.32 H new ATOM 0 HD13 LEU A 111 -0.491 -3.349 1.279 1.00 24.32 H new ATOM 0 HD21 LEU A 111 0.370 -6.368 1.299 1.00 2.21 H new ATOM 0 HD22 LEU A 111 0.113 -5.468 2.812 1.00 2.21 H new ATOM 0 HD23 LEU A 111 -0.788 -6.972 2.507 1.00 2.21 H new ATOM 1846 N TYR A 112 -4.988 -6.528 1.629 1.00 54.24 N ATOM 1847 CA TYR A 112 -5.579 -7.737 1.004 1.00 74.44 C ATOM 1848 C TYR A 112 -6.870 -7.405 0.237 1.00 15.14 C ATOM 1849 O TYR A 112 -7.100 -7.930 -0.852 1.00 52.24 O ATOM 1850 CB TYR A 112 -5.891 -8.809 2.078 1.00 44.33 C ATOM 1851 CG TYR A 112 -4.667 -9.278 2.875 1.00 13.34 C ATOM 1852 CD1 TYR A 112 -4.262 -8.612 4.035 1.00 72.51 C ATOM 1853 CD2 TYR A 112 -3.923 -10.392 2.474 1.00 22.13 C ATOM 1854 CE1 TYR A 112 -3.174 -9.037 4.761 1.00 21.23 C ATOM 1855 CE2 TYR A 112 -2.835 -10.825 3.205 1.00 24.11 C ATOM 1856 CZ TYR A 112 -2.465 -10.142 4.348 1.00 74.00 C ATOM 1857 OH TYR A 112 -1.394 -10.578 5.090 1.00 31.23 O ATOM 0 H TYR A 112 -4.960 -6.569 2.648 1.00 54.24 H new ATOM 0 HA TYR A 112 -4.844 -8.125 0.299 1.00 74.44 H new ATOM 0 HB2 TYR A 112 -6.630 -8.407 2.772 1.00 44.33 H new ATOM 0 HB3 TYR A 112 -6.346 -9.672 1.592 1.00 44.33 H new ATOM 0 HD1 TYR A 112 -4.815 -7.746 4.368 1.00 72.51 H new ATOM 0 HD2 TYR A 112 -4.205 -10.923 1.577 1.00 22.13 H new ATOM 0 HE1 TYR A 112 -2.877 -8.505 5.653 1.00 21.23 H new ATOM 0 HE2 TYR A 112 -2.276 -11.692 2.886 1.00 24.11 H new ATOM 0 HH TYR A 112 -0.586 -10.569 4.535 1.00 31.23 H new ATOM 1867 N ILE A 113 -7.707 -6.539 0.838 1.00 0.13 N ATOM 1868 CA ILE A 113 -8.979 -6.086 0.233 1.00 23.21 C ATOM 1869 C ILE A 113 -8.724 -5.290 -1.079 1.00 42.55 C ATOM 1870 O ILE A 113 -9.405 -5.509 -2.083 1.00 34.31 O ATOM 1871 CB ILE A 113 -9.815 -5.206 1.244 1.00 33.21 C ATOM 1872 CG1 ILE A 113 -9.956 -5.912 2.631 1.00 64.12 C ATOM 1873 CG2 ILE A 113 -11.216 -4.850 0.678 1.00 42.13 C ATOM 1874 CD1 ILE A 113 -10.682 -7.243 2.616 1.00 25.22 C ATOM 0 H ILE A 113 -7.523 -6.133 1.755 1.00 0.13 H new ATOM 0 HA ILE A 113 -9.557 -6.978 -0.007 1.00 23.21 H new ATOM 0 HB ILE A 113 -9.263 -4.277 1.384 1.00 33.21 H new ATOM 0 HG12 ILE A 113 -8.959 -6.067 3.043 1.00 64.12 H new ATOM 0 HG13 ILE A 113 -10.481 -5.239 3.310 1.00 64.12 H new ATOM 0 HG21 ILE A 113 -11.759 -4.244 1.404 1.00 42.13 H new ATOM 0 HG22 ILE A 113 -11.102 -4.289 -0.250 1.00 42.13 H new ATOM 0 HG23 ILE A 113 -11.773 -5.766 0.482 1.00 42.13 H new ATOM 0 HD11 ILE A 113 -10.724 -7.646 3.628 1.00 25.22 H new ATOM 0 HD12 ILE A 113 -11.695 -7.101 2.240 1.00 25.22 H new ATOM 0 HD13 ILE A 113 -10.150 -7.941 1.969 1.00 25.22 H new ATOM 1886 N ALA A 114 -7.721 -4.383 -1.053 1.00 23.41 N ATOM 1887 CA ALA A 114 -7.332 -3.569 -2.235 1.00 13.31 C ATOM 1888 C ALA A 114 -6.752 -4.433 -3.377 1.00 43.12 C ATOM 1889 O ALA A 114 -7.084 -4.230 -4.552 1.00 54.33 O ATOM 1890 CB ALA A 114 -6.322 -2.486 -1.834 1.00 4.12 C ATOM 0 H ALA A 114 -7.161 -4.193 -0.222 1.00 23.41 H new ATOM 0 HA ALA A 114 -8.241 -3.097 -2.608 1.00 13.31 H new ATOM 0 HB1 ALA A 114 -6.049 -1.900 -2.712 1.00 4.12 H new ATOM 0 HB2 ALA A 114 -6.768 -1.831 -1.085 1.00 4.12 H new ATOM 0 HB3 ALA A 114 -5.430 -2.956 -1.419 1.00 4.12 H new ATOM 1896 N TRP A 115 -5.875 -5.386 -3.010 1.00 31.25 N ATOM 1897 CA TRP A 115 -5.262 -6.330 -3.962 1.00 70.15 C ATOM 1898 C TRP A 115 -6.353 -7.196 -4.638 1.00 41.01 C ATOM 1899 O TRP A 115 -6.472 -7.201 -5.859 1.00 11.32 O ATOM 1900 CB TRP A 115 -4.210 -7.223 -3.237 1.00 53.11 C ATOM 1901 CG TRP A 115 -3.337 -8.086 -4.147 1.00 22.12 C ATOM 1902 CD1 TRP A 115 -3.242 -8.038 -5.516 1.00 44.34 C ATOM 1903 CD2 TRP A 115 -2.381 -9.082 -3.731 1.00 50.22 C ATOM 1904 NE1 TRP A 115 -2.350 -8.973 -5.967 1.00 43.13 N ATOM 1905 CE2 TRP A 115 -1.804 -9.620 -4.896 1.00 4.24 C ATOM 1906 CE3 TRP A 115 -1.966 -9.574 -2.487 1.00 12.52 C ATOM 1907 CZ2 TRP A 115 -0.848 -10.625 -4.855 1.00 74.20 C ATOM 1908 CZ3 TRP A 115 -1.016 -10.578 -2.446 1.00 23.22 C ATOM 1909 CH2 TRP A 115 -0.469 -11.098 -3.625 1.00 74.50 C ATOM 0 H TRP A 115 -5.572 -5.523 -2.046 1.00 31.25 H new ATOM 0 HA TRP A 115 -4.749 -5.763 -4.739 1.00 70.15 H new ATOM 0 HB2 TRP A 115 -3.560 -6.579 -2.644 1.00 53.11 H new ATOM 0 HB3 TRP A 115 -4.734 -7.877 -2.539 1.00 53.11 H new ATOM 0 HD1 TRP A 115 -3.794 -7.358 -6.148 1.00 44.34 H new ATOM 0 HE1 TRP A 115 -2.129 -9.157 -6.946 1.00 43.13 H new ATOM 0 HE3 TRP A 115 -2.382 -9.175 -1.573 1.00 12.52 H new ATOM 0 HZ2 TRP A 115 -0.417 -11.022 -5.762 1.00 74.20 H new ATOM 0 HZ3 TRP A 115 -0.692 -10.966 -1.492 1.00 23.22 H new ATOM 0 HH2 TRP A 115 0.266 -11.887 -3.565 1.00 74.50 H new ATOM 1920 N ALA A 116 -7.164 -7.880 -3.812 1.00 43.35 N ATOM 1921 CA ALA A 116 -8.256 -8.766 -4.269 1.00 12.35 C ATOM 1922 C ALA A 116 -9.307 -8.032 -5.135 1.00 31.44 C ATOM 1923 O ALA A 116 -9.810 -8.596 -6.112 1.00 13.33 O ATOM 1924 CB ALA A 116 -8.935 -9.409 -3.062 1.00 43.32 C ATOM 0 H ALA A 116 -7.081 -7.835 -2.796 1.00 43.35 H new ATOM 0 HA ALA A 116 -7.804 -9.530 -4.901 1.00 12.35 H new ATOM 0 HB1 ALA A 116 -9.739 -10.061 -3.402 1.00 43.32 H new ATOM 0 HB2 ALA A 116 -8.205 -9.994 -2.503 1.00 43.32 H new ATOM 0 HB3 ALA A 116 -9.346 -8.631 -2.419 1.00 43.32 H new ATOM 1930 N GLY A 117 -9.624 -6.779 -4.751 1.00 74.23 N ATOM 1931 CA GLY A 117 -10.522 -5.909 -5.529 1.00 15.12 C ATOM 1932 C GLY A 117 -9.994 -5.618 -6.937 1.00 41.30 C ATOM 1933 O GLY A 117 -10.757 -5.603 -7.910 1.00 40.12 O ATOM 0 H GLY A 117 -9.267 -6.346 -3.899 1.00 74.23 H new ATOM 0 HA2 GLY A 117 -11.502 -6.380 -5.604 1.00 15.12 H new ATOM 0 HA3 GLY A 117 -10.660 -4.968 -4.996 1.00 15.12 H new ATOM 1937 N HIS A 118 -8.669 -5.401 -7.040 1.00 41.32 N ATOM 1938 CA HIS A 118 -7.980 -5.237 -8.333 1.00 14.52 C ATOM 1939 C HIS A 118 -8.024 -6.541 -9.173 1.00 14.25 C ATOM 1940 O HIS A 118 -8.322 -6.500 -10.369 1.00 53.54 O ATOM 1941 CB HIS A 118 -6.508 -4.796 -8.112 1.00 61.31 C ATOM 1942 CG HIS A 118 -5.688 -4.781 -9.376 1.00 11.44 C ATOM 1943 ND1 HIS A 118 -5.895 -3.870 -10.386 1.00 63.41 N ATOM 1944 CD2 HIS A 118 -4.722 -5.624 -9.833 1.00 61.24 C ATOM 1945 CE1 HIS A 118 -5.113 -4.153 -11.399 1.00 31.34 C ATOM 1946 NE2 HIS A 118 -4.393 -5.206 -11.091 1.00 1.13 N ATOM 0 H HIS A 118 -8.049 -5.335 -6.233 1.00 41.32 H new ATOM 0 HA HIS A 118 -8.506 -4.461 -8.889 1.00 14.52 H new ATOM 0 HB2 HIS A 118 -6.498 -3.800 -7.670 1.00 61.31 H new ATOM 0 HB3 HIS A 118 -6.040 -5.468 -7.393 1.00 61.31 H new ATOM 0 HD2 HIS A 118 -4.297 -6.463 -9.302 1.00 61.24 H new ATOM 0 HE1 HIS A 118 -5.069 -3.610 -12.332 1.00 31.34 H new ATOM 0 HE2 HIS A 118 -3.698 -5.643 -11.696 1.00 1.13 H new ATOM 1955 N LEU A 119 -7.709 -7.690 -8.535 1.00 2.50 N ATOM 1956 CA LEU A 119 -7.605 -9.002 -9.223 1.00 53.23 C ATOM 1957 C LEU A 119 -8.971 -9.443 -9.799 1.00 34.50 C ATOM 1958 O LEU A 119 -9.041 -10.033 -10.876 1.00 55.24 O ATOM 1959 CB LEU A 119 -7.058 -10.072 -8.250 1.00 31.52 C ATOM 1960 CG LEU A 119 -5.689 -9.761 -7.573 1.00 73.15 C ATOM 1961 CD1 LEU A 119 -5.264 -10.893 -6.615 1.00 23.44 C ATOM 1962 CD2 LEU A 119 -4.589 -9.449 -8.611 1.00 22.23 C ATOM 0 H LEU A 119 -7.520 -7.737 -7.534 1.00 2.50 H new ATOM 0 HA LEU A 119 -6.911 -8.894 -10.057 1.00 53.23 H new ATOM 0 HB2 LEU A 119 -7.798 -10.230 -7.466 1.00 31.52 H new ATOM 0 HB3 LEU A 119 -6.964 -11.012 -8.794 1.00 31.52 H new ATOM 0 HG LEU A 119 -5.824 -8.860 -6.975 1.00 73.15 H new ATOM 0 HD11 LEU A 119 -4.305 -10.644 -6.160 1.00 23.44 H new ATOM 0 HD12 LEU A 119 -6.016 -11.011 -5.835 1.00 23.44 H new ATOM 0 HD13 LEU A 119 -5.170 -11.825 -7.172 1.00 23.44 H new ATOM 0 HD21 LEU A 119 -3.652 -9.238 -8.096 1.00 22.23 H new ATOM 0 HD22 LEU A 119 -4.456 -10.307 -9.269 1.00 22.23 H new ATOM 0 HD23 LEU A 119 -4.882 -8.581 -9.202 1.00 22.23 H new ATOM 1974 N GLU A 120 -10.041 -9.137 -9.053 1.00 22.01 N ATOM 1975 CA GLU A 120 -11.440 -9.265 -9.507 1.00 55.44 C ATOM 1976 C GLU A 120 -11.669 -8.584 -10.880 1.00 54.43 C ATOM 1977 O GLU A 120 -12.205 -9.200 -11.805 1.00 33.42 O ATOM 1978 CB GLU A 120 -12.356 -8.638 -8.435 1.00 0.24 C ATOM 1979 CG GLU A 120 -13.832 -8.483 -8.839 1.00 70.41 C ATOM 1980 CD GLU A 120 -14.683 -7.862 -7.728 1.00 71.22 C ATOM 1981 OE1 GLU A 120 -14.725 -6.617 -7.617 1.00 13.12 O ATOM 1982 OE2 GLU A 120 -15.317 -8.615 -6.968 1.00 34.30 O ATOM 0 H GLU A 120 -9.961 -8.787 -8.098 1.00 22.01 H new ATOM 0 HA GLU A 120 -11.674 -10.321 -9.639 1.00 55.44 H new ATOM 0 HB2 GLU A 120 -12.305 -9.250 -7.535 1.00 0.24 H new ATOM 0 HB3 GLU A 120 -11.963 -7.655 -8.175 1.00 0.24 H new ATOM 0 HG2 GLU A 120 -13.897 -7.862 -9.732 1.00 70.41 H new ATOM 0 HG3 GLU A 120 -14.238 -9.460 -9.100 1.00 70.41 H new ATOM 1989 N ALA A 121 -11.217 -7.321 -10.996 1.00 31.14 N ATOM 1990 CA ALA A 121 -11.294 -6.539 -12.254 1.00 73.54 C ATOM 1991 C ALA A 121 -10.457 -7.181 -13.396 1.00 14.24 C ATOM 1992 O ALA A 121 -10.743 -6.974 -14.581 1.00 44.04 O ATOM 1993 CB ALA A 121 -10.842 -5.093 -11.996 1.00 53.45 C ATOM 0 H ALA A 121 -10.788 -6.811 -10.224 1.00 31.14 H new ATOM 0 HA ALA A 121 -12.333 -6.540 -12.585 1.00 73.54 H new ATOM 0 HB1 ALA A 121 -10.900 -4.523 -12.923 1.00 53.45 H new ATOM 0 HB2 ALA A 121 -11.491 -4.637 -11.248 1.00 53.45 H new ATOM 0 HB3 ALA A 121 -9.814 -5.092 -11.634 1.00 53.45 H new ATOM 1999 N GLN A 122 -9.421 -7.960 -13.019 1.00 23.40 N ATOM 2000 CA GLN A 122 -8.558 -8.690 -13.981 1.00 4.02 C ATOM 2001 C GLN A 122 -9.174 -10.053 -14.399 1.00 64.23 C ATOM 2002 O GLN A 122 -8.881 -10.564 -15.482 1.00 44.30 O ATOM 2003 CB GLN A 122 -7.152 -8.927 -13.365 1.00 32.02 C ATOM 2004 CG GLN A 122 -6.470 -7.673 -12.780 1.00 33.21 C ATOM 2005 CD GLN A 122 -6.353 -6.509 -13.768 1.00 70.22 C ATOM 2006 OE1 GLN A 122 -5.390 -6.409 -14.518 1.00 34.21 O ATOM 2007 NE2 GLN A 122 -7.314 -5.607 -13.750 1.00 4.41 N ATOM 0 H GLN A 122 -9.157 -8.102 -12.044 1.00 23.40 H new ATOM 0 HA GLN A 122 -8.474 -8.070 -14.874 1.00 4.02 H new ATOM 0 HB2 GLN A 122 -7.240 -9.674 -12.576 1.00 32.02 H new ATOM 0 HB3 GLN A 122 -6.503 -9.349 -14.133 1.00 32.02 H new ATOM 0 HG2 GLN A 122 -7.032 -7.340 -11.907 1.00 33.21 H new ATOM 0 HG3 GLN A 122 -5.473 -7.943 -12.433 1.00 33.21 H new ATOM 0 HE21 GLN A 122 -8.104 -5.716 -13.115 1.00 4.41 H new ATOM 0 HE22 GLN A 122 -7.267 -4.800 -14.372 1.00 4.41 H new ATOM 2016 N GLY A 123 -10.009 -10.642 -13.520 1.00 4.12 N ATOM 2017 CA GLY A 123 -10.597 -11.989 -13.744 1.00 24.32 C ATOM 2018 C GLY A 123 -9.970 -13.061 -12.845 1.00 31.25 C ATOM 2019 O GLY A 123 -10.346 -14.234 -12.894 1.00 13.15 O ATOM 0 H GLY A 123 -10.296 -10.208 -12.643 1.00 4.12 H new ATOM 0 HA2 GLY A 123 -11.671 -11.948 -13.560 1.00 24.32 H new ATOM 0 HA3 GLY A 123 -10.463 -12.271 -14.788 1.00 24.32 H new ATOM 2023 N GLU A 124 -9.021 -12.616 -12.007 1.00 45.24 N ATOM 2024 CA GLU A 124 -8.270 -13.448 -11.046 1.00 22.12 C ATOM 2025 C GLU A 124 -9.021 -13.572 -9.688 1.00 53.14 C ATOM 2026 O GLU A 124 -8.417 -13.441 -8.623 1.00 72.52 O ATOM 2027 CB GLU A 124 -6.871 -12.802 -10.849 1.00 44.13 C ATOM 2028 CG GLU A 124 -6.019 -12.684 -12.131 1.00 4.15 C ATOM 2029 CD GLU A 124 -5.445 -14.027 -12.607 1.00 14.02 C ATOM 2030 OE1 GLU A 124 -4.358 -14.419 -12.126 1.00 3.23 O ATOM 2031 OE2 GLU A 124 -6.080 -14.703 -13.437 1.00 10.32 O ATOM 0 H GLU A 124 -8.744 -11.635 -11.976 1.00 45.24 H new ATOM 0 HA GLU A 124 -8.168 -14.460 -11.438 1.00 22.12 H new ATOM 0 HB2 GLU A 124 -7.004 -11.806 -10.426 1.00 44.13 H new ATOM 0 HB3 GLU A 124 -6.317 -13.388 -10.116 1.00 44.13 H new ATOM 0 HG2 GLU A 124 -6.629 -12.256 -12.926 1.00 4.15 H new ATOM 0 HG3 GLU A 124 -5.198 -11.990 -11.950 1.00 4.15 H new ATOM 2038 N LEU A 125 -10.331 -13.862 -9.760 1.00 71.40 N ATOM 2039 CA LEU A 125 -11.226 -14.040 -8.590 1.00 60.42 C ATOM 2040 C LEU A 125 -10.754 -15.159 -7.612 1.00 41.25 C ATOM 2041 O LEU A 125 -10.775 -14.959 -6.401 1.00 42.14 O ATOM 2042 CB LEU A 125 -12.660 -14.336 -9.107 1.00 14.53 C ATOM 2043 CG LEU A 125 -13.429 -13.129 -9.744 1.00 30.21 C ATOM 2044 CD1 LEU A 125 -14.581 -13.602 -10.655 1.00 23.21 C ATOM 2045 CD2 LEU A 125 -13.959 -12.180 -8.646 1.00 60.35 C ATOM 0 H LEU A 125 -10.814 -13.983 -10.650 1.00 71.40 H new ATOM 0 HA LEU A 125 -11.205 -13.117 -8.011 1.00 60.42 H new ATOM 0 HB2 LEU A 125 -12.599 -15.133 -9.848 1.00 14.53 H new ATOM 0 HB3 LEU A 125 -13.252 -14.719 -8.275 1.00 14.53 H new ATOM 0 HG LEU A 125 -12.721 -12.582 -10.367 1.00 30.21 H new ATOM 0 HD11 LEU A 125 -15.090 -12.736 -11.078 1.00 23.21 H new ATOM 0 HD12 LEU A 125 -14.179 -14.216 -11.461 1.00 23.21 H new ATOM 0 HD13 LEU A 125 -15.289 -14.189 -10.071 1.00 23.21 H new ATOM 0 HD21 LEU A 125 -14.490 -11.348 -9.109 1.00 60.35 H new ATOM 0 HD22 LEU A 125 -14.639 -12.725 -7.991 1.00 60.35 H new ATOM 0 HD23 LEU A 125 -13.123 -11.796 -8.062 1.00 60.35 H new ATOM 2057 N GLN A 126 -10.332 -16.325 -8.141 1.00 31.40 N ATOM 2058 CA GLN A 126 -9.874 -17.469 -7.300 1.00 13.42 C ATOM 2059 C GLN A 126 -8.526 -17.177 -6.595 1.00 50.35 C ATOM 2060 O GLN A 126 -8.307 -17.614 -5.459 1.00 24.22 O ATOM 2061 CB GLN A 126 -9.777 -18.774 -8.143 1.00 43.15 C ATOM 2062 CG GLN A 126 -11.124 -19.286 -8.696 1.00 35.14 C ATOM 2063 CD GLN A 126 -12.157 -19.584 -7.598 1.00 54.43 C ATOM 2064 OE1 GLN A 126 -12.229 -20.686 -7.074 1.00 74.04 O ATOM 2065 NE2 GLN A 126 -12.973 -18.611 -7.254 1.00 30.01 N ATOM 0 H GLN A 126 -10.296 -16.507 -9.144 1.00 31.40 H new ATOM 0 HA GLN A 126 -10.623 -17.609 -6.521 1.00 13.42 H new ATOM 0 HB2 GLN A 126 -9.099 -18.601 -8.979 1.00 43.15 H new ATOM 0 HB3 GLN A 126 -9.332 -19.556 -7.528 1.00 43.15 H new ATOM 0 HG2 GLN A 126 -11.534 -18.543 -9.380 1.00 35.14 H new ATOM 0 HG3 GLN A 126 -10.950 -20.192 -9.277 1.00 35.14 H new ATOM 0 HE21 GLN A 126 -12.897 -17.698 -7.703 1.00 30.01 H new ATOM 0 HE22 GLN A 126 -13.682 -18.769 -6.538 1.00 30.01 H new ATOM 2074 N HIS A 127 -7.633 -16.431 -7.274 1.00 1.11 N ATOM 2075 CA HIS A 127 -6.349 -15.992 -6.693 1.00 4.43 C ATOM 2076 C HIS A 127 -6.565 -14.883 -5.644 1.00 72.45 C ATOM 2077 O HIS A 127 -5.878 -14.833 -4.629 1.00 1.20 O ATOM 2078 CB HIS A 127 -5.374 -15.510 -7.794 1.00 1.33 C ATOM 2079 CG HIS A 127 -4.048 -15.035 -7.251 1.00 54.15 C ATOM 2080 ND1 HIS A 127 -3.632 -13.729 -7.316 1.00 71.14 N ATOM 2081 CD2 HIS A 127 -3.073 -15.697 -6.588 1.00 15.33 C ATOM 2082 CE1 HIS A 127 -2.464 -13.608 -6.730 1.00 44.44 C ATOM 2083 NE2 HIS A 127 -2.101 -14.785 -6.279 1.00 2.22 N ATOM 0 H HIS A 127 -7.779 -16.118 -8.234 1.00 1.11 H new ATOM 0 HA HIS A 127 -5.903 -16.853 -6.195 1.00 4.43 H new ATOM 0 HB2 HIS A 127 -5.200 -16.324 -8.497 1.00 1.33 H new ATOM 0 HB3 HIS A 127 -5.841 -14.700 -8.354 1.00 1.33 H new ATOM 0 HD2 HIS A 127 -3.063 -16.750 -6.347 1.00 15.33 H new ATOM 0 HE1 HIS A 127 -1.897 -12.694 -6.635 1.00 44.44 H new ATOM 0 HE2 HIS A 127 -1.235 -14.987 -5.779 1.00 2.22 H new ATOM 2092 N ALA A 128 -7.515 -13.995 -5.924 1.00 25.12 N ATOM 2093 CA ALA A 128 -7.937 -12.925 -5.009 1.00 23.44 C ATOM 2094 C ALA A 128 -8.555 -13.488 -3.713 1.00 32.50 C ATOM 2095 O ALA A 128 -8.347 -12.947 -2.631 1.00 63.20 O ATOM 2096 CB ALA A 128 -8.923 -12.031 -5.740 1.00 52.13 C ATOM 0 H ALA A 128 -8.025 -13.994 -6.807 1.00 25.12 H new ATOM 0 HA ALA A 128 -7.063 -12.347 -4.707 1.00 23.44 H new ATOM 0 HB1 ALA A 128 -9.248 -11.230 -5.077 1.00 52.13 H new ATOM 0 HB2 ALA A 128 -8.442 -11.602 -6.619 1.00 52.13 H new ATOM 0 HB3 ALA A 128 -9.787 -12.619 -6.050 1.00 52.13 H new ATOM 2102 N SER A 129 -9.318 -14.582 -3.858 1.00 65.05 N ATOM 2103 CA SER A 129 -9.816 -15.391 -2.725 1.00 61.51 C ATOM 2104 C SER A 129 -8.647 -16.022 -1.942 1.00 33.31 C ATOM 2105 O SER A 129 -8.637 -16.015 -0.707 1.00 2.14 O ATOM 2106 CB SER A 129 -10.751 -16.497 -3.241 1.00 24.54 C ATOM 2107 OG SER A 129 -11.885 -15.941 -3.865 1.00 52.52 O ATOM 0 H SER A 129 -9.611 -14.936 -4.769 1.00 65.05 H new ATOM 0 HA SER A 129 -10.367 -14.733 -2.053 1.00 61.51 H new ATOM 0 HB2 SER A 129 -10.216 -17.132 -3.947 1.00 24.54 H new ATOM 0 HB3 SER A 129 -11.061 -17.133 -2.412 1.00 24.54 H new ATOM 0 HG SER A 129 -11.631 -15.573 -4.737 1.00 52.52 H new ATOM 2113 N ALA A 130 -7.652 -16.546 -2.696 1.00 12.42 N ATOM 2114 CA ALA A 130 -6.406 -17.105 -2.134 1.00 0.34 C ATOM 2115 C ALA A 130 -5.571 -16.026 -1.400 1.00 62.44 C ATOM 2116 O ALA A 130 -4.746 -16.358 -0.573 1.00 10.14 O ATOM 2117 CB ALA A 130 -5.573 -17.789 -3.235 1.00 53.23 C ATOM 0 H ALA A 130 -7.694 -16.592 -3.714 1.00 12.42 H new ATOM 0 HA ALA A 130 -6.687 -17.856 -1.395 1.00 0.34 H new ATOM 0 HB1 ALA A 130 -4.659 -18.194 -2.801 1.00 53.23 H new ATOM 0 HB2 ALA A 130 -6.153 -18.597 -3.681 1.00 53.23 H new ATOM 0 HB3 ALA A 130 -5.317 -17.060 -4.004 1.00 53.23 H new ATOM 2123 N VAL A 131 -5.798 -14.740 -1.729 1.00 3.03 N ATOM 2124 CA VAL A 131 -5.177 -13.590 -1.032 1.00 63.52 C ATOM 2125 C VAL A 131 -5.937 -13.243 0.274 1.00 30.54 C ATOM 2126 O VAL A 131 -5.321 -13.071 1.332 1.00 72.32 O ATOM 2127 CB VAL A 131 -5.129 -12.329 -1.986 1.00 32.22 C ATOM 2128 CG1 VAL A 131 -4.772 -11.024 -1.229 1.00 50.43 C ATOM 2129 CG2 VAL A 131 -4.150 -12.572 -3.167 1.00 33.23 C ATOM 0 H VAL A 131 -6.420 -14.465 -2.489 1.00 3.03 H new ATOM 0 HA VAL A 131 -4.159 -13.873 -0.764 1.00 63.52 H new ATOM 0 HB VAL A 131 -6.134 -12.194 -2.386 1.00 32.22 H new ATOM 0 HG11 VAL A 131 -4.753 -10.190 -1.931 1.00 50.43 H new ATOM 0 HG12 VAL A 131 -5.520 -10.834 -0.459 1.00 50.43 H new ATOM 0 HG13 VAL A 131 -3.792 -11.130 -0.764 1.00 50.43 H new ATOM 0 HG21 VAL A 131 -4.132 -11.693 -3.811 1.00 33.23 H new ATOM 0 HG22 VAL A 131 -3.149 -12.757 -2.778 1.00 33.23 H new ATOM 0 HG23 VAL A 131 -4.481 -13.437 -3.742 1.00 33.23 H new ATOM 2139 N LEU A 132 -7.269 -13.148 0.179 1.00 31.11 N ATOM 2140 CA LEU A 132 -8.141 -12.763 1.314 1.00 1.53 C ATOM 2141 C LEU A 132 -8.058 -13.776 2.486 1.00 73.44 C ATOM 2142 O LEU A 132 -8.006 -13.378 3.658 1.00 41.52 O ATOM 2143 CB LEU A 132 -9.605 -12.615 0.831 1.00 5.30 C ATOM 2144 CG LEU A 132 -9.902 -11.470 -0.179 1.00 62.42 C ATOM 2145 CD1 LEU A 132 -11.362 -11.530 -0.683 1.00 20.24 C ATOM 2146 CD2 LEU A 132 -9.573 -10.088 0.424 1.00 31.33 C ATOM 0 H LEU A 132 -7.780 -13.334 -0.684 1.00 31.11 H new ATOM 0 HA LEU A 132 -7.785 -11.805 1.692 1.00 1.53 H new ATOM 0 HB2 LEU A 132 -9.908 -13.557 0.374 1.00 5.30 H new ATOM 0 HB3 LEU A 132 -10.237 -12.467 1.706 1.00 5.30 H new ATOM 0 HG LEU A 132 -9.250 -11.615 -1.040 1.00 62.42 H new ATOM 0 HD11 LEU A 132 -11.538 -10.717 -1.387 1.00 20.24 H new ATOM 0 HD12 LEU A 132 -11.536 -12.484 -1.180 1.00 20.24 H new ATOM 0 HD13 LEU A 132 -12.043 -11.431 0.162 1.00 20.24 H new ATOM 0 HD21 LEU A 132 -9.792 -9.310 -0.308 1.00 31.33 H new ATOM 0 HD22 LEU A 132 -10.178 -9.927 1.316 1.00 31.33 H new ATOM 0 HD23 LEU A 132 -8.517 -10.049 0.690 1.00 31.33 H new ATOM 2158 N GLN A 133 -8.019 -15.085 2.150 1.00 1.52 N ATOM 2159 CA GLN A 133 -7.884 -16.165 3.161 1.00 44.53 C ATOM 2160 C GLN A 133 -6.551 -16.048 3.941 1.00 61.21 C ATOM 2161 O GLN A 133 -6.516 -16.321 5.150 1.00 14.50 O ATOM 2162 CB GLN A 133 -8.001 -17.573 2.517 1.00 74.00 C ATOM 2163 CG GLN A 133 -6.911 -17.903 1.478 1.00 65.34 C ATOM 2164 CD GLN A 133 -6.884 -19.377 1.069 1.00 41.52 C ATOM 2165 OE1 GLN A 133 -7.519 -19.777 0.108 1.00 71.22 O ATOM 2166 NE2 GLN A 133 -6.163 -20.196 1.811 1.00 51.20 N ATOM 0 H GLN A 133 -8.079 -15.422 1.189 1.00 1.52 H new ATOM 0 HA GLN A 133 -8.708 -16.041 3.863 1.00 44.53 H new ATOM 0 HB2 GLN A 133 -7.968 -18.322 3.308 1.00 74.00 H new ATOM 0 HB3 GLN A 133 -8.977 -17.658 2.038 1.00 74.00 H new ATOM 0 HG2 GLN A 133 -7.069 -17.291 0.590 1.00 65.34 H new ATOM 0 HG3 GLN A 133 -5.938 -17.629 1.885 1.00 65.34 H new ATOM 0 HE21 GLN A 133 -5.641 -19.835 2.610 1.00 51.20 H new ATOM 0 HE22 GLN A 133 -6.127 -21.190 1.586 1.00 51.20 H new ATOM 2175 N ARG A 134 -5.464 -15.610 3.239 1.00 75.11 N ATOM 2176 CA ARG A 134 -4.143 -15.362 3.862 1.00 62.54 C ATOM 2177 C ARG A 134 -4.276 -14.362 5.010 1.00 42.21 C ATOM 2178 O ARG A 134 -3.836 -14.640 6.110 1.00 53.20 O ATOM 2179 CB ARG A 134 -3.115 -14.815 2.835 1.00 24.34 C ATOM 2180 CG ARG A 134 -2.775 -15.775 1.687 1.00 12.14 C ATOM 2181 CD ARG A 134 -1.881 -15.132 0.613 1.00 11.03 C ATOM 2182 NE ARG A 134 -1.560 -16.064 -0.483 1.00 72.54 N ATOM 2183 CZ ARG A 134 -0.863 -15.765 -1.564 1.00 55.33 C ATOM 2184 NH1 ARG A 134 -0.415 -14.555 -1.774 1.00 13.32 N ATOM 2185 NH2 ARG A 134 -0.618 -16.686 -2.441 1.00 23.10 N ATOM 0 H ARG A 134 -5.486 -15.423 2.237 1.00 75.11 H new ATOM 0 HA ARG A 134 -3.782 -16.319 4.239 1.00 62.54 H new ATOM 0 HB2 ARG A 134 -3.504 -13.889 2.412 1.00 24.34 H new ATOM 0 HB3 ARG A 134 -2.195 -14.563 3.363 1.00 24.34 H new ATOM 0 HG2 ARG A 134 -2.273 -16.654 2.092 1.00 12.14 H new ATOM 0 HG3 ARG A 134 -3.699 -16.121 1.224 1.00 12.14 H new ATOM 0 HD2 ARG A 134 -2.382 -14.254 0.205 1.00 11.03 H new ATOM 0 HD3 ARG A 134 -0.956 -14.785 1.074 1.00 11.03 H new ATOM 0 HE ARG A 134 -1.905 -17.020 -0.399 1.00 72.54 H new ATOM 0 HH11 ARG A 134 -0.602 -13.817 -1.095 1.00 13.32 H new ATOM 0 HH12 ARG A 134 0.121 -14.349 -2.617 1.00 13.32 H new ATOM 0 HH21 ARG A 134 -0.963 -17.635 -2.294 1.00 23.10 H new ATOM 0 HH22 ARG A 134 -0.080 -16.463 -3.279 1.00 23.10 H new ATOM 2199 N GLY A 135 -4.916 -13.214 4.731 1.00 54.42 N ATOM 2200 CA GLY A 135 -5.139 -12.180 5.740 1.00 31.41 C ATOM 2201 C GLY A 135 -5.942 -12.660 6.952 1.00 54.14 C ATOM 2202 O GLY A 135 -5.572 -12.386 8.090 1.00 11.30 O ATOM 0 H GLY A 135 -5.287 -12.984 3.809 1.00 54.42 H new ATOM 0 HA2 GLY A 135 -4.174 -11.805 6.081 1.00 31.41 H new ATOM 0 HA3 GLY A 135 -5.662 -11.342 5.278 1.00 31.41 H new ATOM 2206 N ILE A 136 -7.029 -13.395 6.694 1.00 51.33 N ATOM 2207 CA ILE A 136 -7.898 -13.970 7.744 1.00 42.02 C ATOM 2208 C ILE A 136 -7.109 -14.879 8.726 1.00 65.31 C ATOM 2209 O ILE A 136 -7.264 -14.752 9.946 1.00 3.33 O ATOM 2210 CB ILE A 136 -9.094 -14.747 7.071 1.00 10.14 C ATOM 2211 CG1 ILE A 136 -10.034 -13.731 6.345 1.00 42.25 C ATOM 2212 CG2 ILE A 136 -9.888 -15.616 8.082 1.00 22.44 C ATOM 2213 CD1 ILE A 136 -11.061 -14.356 5.430 1.00 4.00 C ATOM 0 H ILE A 136 -7.338 -13.613 5.747 1.00 51.33 H new ATOM 0 HA ILE A 136 -8.298 -13.152 8.343 1.00 42.02 H new ATOM 0 HB ILE A 136 -8.673 -15.439 6.342 1.00 10.14 H new ATOM 0 HG12 ILE A 136 -10.553 -13.137 7.097 1.00 42.25 H new ATOM 0 HG13 ILE A 136 -9.421 -13.043 5.763 1.00 42.25 H new ATOM 0 HG21 ILE A 136 -10.699 -16.128 7.564 1.00 22.44 H new ATOM 0 HG22 ILE A 136 -9.222 -16.353 8.530 1.00 22.44 H new ATOM 0 HG23 ILE A 136 -10.302 -14.979 8.863 1.00 22.44 H new ATOM 0 HD11 ILE A 136 -11.665 -13.573 4.972 1.00 4.00 H new ATOM 0 HD12 ILE A 136 -10.555 -14.926 4.651 1.00 4.00 H new ATOM 0 HD13 ILE A 136 -11.705 -15.021 6.006 1.00 4.00 H new ATOM 2225 N GLN A 137 -6.241 -15.759 8.186 1.00 21.23 N ATOM 2226 CA GLN A 137 -5.400 -16.668 9.018 1.00 31.31 C ATOM 2227 C GLN A 137 -4.112 -15.972 9.550 1.00 31.22 C ATOM 2228 O GLN A 137 -3.532 -16.429 10.537 1.00 2.41 O ATOM 2229 CB GLN A 137 -5.058 -17.960 8.237 1.00 5.21 C ATOM 2230 CG GLN A 137 -4.265 -17.737 6.941 1.00 53.42 C ATOM 2231 CD GLN A 137 -4.141 -18.992 6.085 1.00 44.54 C ATOM 2232 OE1 GLN A 137 -3.189 -19.757 6.206 1.00 75.12 O ATOM 2233 NE2 GLN A 137 -5.117 -19.230 5.229 1.00 12.30 N ATOM 0 H GLN A 137 -6.099 -15.865 7.182 1.00 21.23 H new ATOM 0 HA GLN A 137 -5.989 -16.937 9.895 1.00 31.31 H new ATOM 0 HB2 GLN A 137 -4.485 -18.621 8.888 1.00 5.21 H new ATOM 0 HB3 GLN A 137 -5.986 -18.478 7.994 1.00 5.21 H new ATOM 0 HG2 GLN A 137 -4.749 -16.954 6.357 1.00 53.42 H new ATOM 0 HG3 GLN A 137 -3.267 -17.377 7.191 1.00 53.42 H new ATOM 0 HE21 GLN A 137 -5.896 -18.577 5.149 1.00 12.30 H new ATOM 0 HE22 GLN A 137 -5.092 -20.067 4.647 1.00 12.30 H new ATOM 2242 N ASN A 138 -3.687 -14.855 8.914 1.00 11.12 N ATOM 2243 CA ASN A 138 -2.585 -13.992 9.428 1.00 60.33 C ATOM 2244 C ASN A 138 -3.088 -13.067 10.564 1.00 4.21 C ATOM 2245 O ASN A 138 -2.278 -12.426 11.234 1.00 14.44 O ATOM 2246 CB ASN A 138 -1.960 -13.123 8.293 1.00 62.24 C ATOM 2247 CG ASN A 138 -1.180 -13.924 7.244 1.00 43.34 C ATOM 2248 OD1 ASN A 138 -0.625 -14.975 7.528 1.00 14.43 O ATOM 2249 ND2 ASN A 138 -1.126 -13.429 6.020 1.00 33.40 N ATOM 0 H ASN A 138 -4.091 -14.525 8.038 1.00 11.12 H new ATOM 0 HA ASN A 138 -1.817 -14.658 9.820 1.00 60.33 H new ATOM 0 HB2 ASN A 138 -2.756 -12.571 7.794 1.00 62.24 H new ATOM 0 HB3 ASN A 138 -1.293 -12.386 8.741 1.00 62.24 H new ATOM 0 HD21 ASN A 138 -0.614 -13.926 5.291 1.00 33.40 H new ATOM 0 HD22 ASN A 138 -1.596 -12.550 5.804 1.00 33.40 H new ATOM 2256 N GLN A 139 -4.432 -13.011 10.748 1.00 5.32 N ATOM 2257 CA GLN A 139 -5.119 -12.151 11.753 1.00 44.54 C ATOM 2258 C GLN A 139 -4.973 -10.646 11.383 1.00 4.12 C ATOM 2259 O GLN A 139 -4.854 -9.775 12.252 1.00 73.02 O ATOM 2260 CB GLN A 139 -4.625 -12.436 13.214 1.00 3.22 C ATOM 2261 CG GLN A 139 -4.608 -13.924 13.656 1.00 65.33 C ATOM 2262 CD GLN A 139 -5.933 -14.660 13.433 1.00 13.41 C ATOM 2263 OE1 GLN A 139 -6.823 -14.630 14.266 1.00 1.31 O ATOM 2264 NE2 GLN A 139 -6.054 -15.355 12.325 1.00 73.42 N ATOM 0 H GLN A 139 -5.081 -13.570 10.195 1.00 5.32 H new ATOM 0 HA GLN A 139 -6.179 -12.405 11.729 1.00 44.54 H new ATOM 0 HB2 GLN A 139 -3.616 -12.037 13.318 1.00 3.22 H new ATOM 0 HB3 GLN A 139 -5.260 -11.881 13.904 1.00 3.22 H new ATOM 0 HG2 GLN A 139 -3.820 -14.444 13.111 1.00 65.33 H new ATOM 0 HG3 GLN A 139 -4.351 -13.974 14.714 1.00 65.33 H new ATOM 0 HE21 GLN A 139 -5.295 -15.364 11.643 1.00 73.42 H new ATOM 0 HE22 GLN A 139 -6.907 -15.885 12.146 1.00 73.42 H new ATOM 2273 N ALA A 140 -5.013 -10.370 10.066 1.00 15.12 N ATOM 2274 CA ALA A 140 -4.834 -9.021 9.498 1.00 11.44 C ATOM 2275 C ALA A 140 -5.977 -8.067 9.887 1.00 23.21 C ATOM 2276 O ALA A 140 -7.107 -8.213 9.423 1.00 11.15 O ATOM 2277 CB ALA A 140 -4.684 -9.099 7.978 1.00 24.02 C ATOM 0 H ALA A 140 -5.173 -11.087 9.358 1.00 15.12 H new ATOM 0 HA ALA A 140 -3.919 -8.608 9.923 1.00 11.44 H new ATOM 0 HB1 ALA A 140 -4.553 -8.095 7.573 1.00 24.02 H new ATOM 0 HB2 ALA A 140 -3.815 -9.707 7.729 1.00 24.02 H new ATOM 0 HB3 ALA A 140 -5.578 -9.550 7.547 1.00 24.02 H new ATOM 2283 N GLU A 141 -5.631 -7.083 10.721 1.00 63.13 N ATOM 2284 CA GLU A 141 -6.577 -6.149 11.353 1.00 22.25 C ATOM 2285 C GLU A 141 -7.051 -5.052 10.358 1.00 53.32 C ATOM 2286 O GLU A 141 -6.215 -4.475 9.656 1.00 55.31 O ATOM 2287 CB GLU A 141 -5.880 -5.496 12.574 1.00 31.22 C ATOM 2288 CG GLU A 141 -5.312 -6.511 13.589 1.00 10.40 C ATOM 2289 CD GLU A 141 -4.479 -5.850 14.694 1.00 60.10 C ATOM 2290 OE1 GLU A 141 -3.264 -5.628 14.483 1.00 1.04 O ATOM 2291 OE2 GLU A 141 -5.030 -5.532 15.768 1.00 10.12 O ATOM 0 H GLU A 141 -4.662 -6.906 10.984 1.00 63.13 H new ATOM 0 HA GLU A 141 -7.462 -6.702 11.669 1.00 22.25 H new ATOM 0 HB2 GLU A 141 -5.069 -4.860 12.219 1.00 31.22 H new ATOM 0 HB3 GLU A 141 -6.594 -4.849 13.084 1.00 31.22 H new ATOM 0 HG2 GLU A 141 -6.135 -7.062 14.043 1.00 10.40 H new ATOM 0 HG3 GLU A 141 -4.694 -7.238 13.061 1.00 10.40 H new ATOM 2298 N PRO A 142 -8.394 -4.740 10.255 1.00 33.12 N ATOM 2299 CA PRO A 142 -9.503 -5.489 10.936 1.00 52.34 C ATOM 2300 C PRO A 142 -9.846 -6.875 10.282 1.00 54.43 C ATOM 2301 O PRO A 142 -10.227 -6.950 9.104 1.00 32.42 O ATOM 2302 CB PRO A 142 -10.689 -4.500 10.833 1.00 72.22 C ATOM 2303 CG PRO A 142 -10.412 -3.690 9.596 1.00 10.41 C ATOM 2304 CD PRO A 142 -8.909 -3.545 9.525 1.00 51.11 C ATOM 0 HA PRO A 142 -9.235 -5.767 11.955 1.00 52.34 H new ATOM 0 HB2 PRO A 142 -11.639 -5.029 10.754 1.00 72.22 H new ATOM 0 HB3 PRO A 142 -10.751 -3.864 11.716 1.00 72.22 H new ATOM 0 HG2 PRO A 142 -10.799 -4.189 8.707 1.00 10.41 H new ATOM 0 HG3 PRO A 142 -10.897 -2.715 9.651 1.00 10.41 H new ATOM 0 HD2 PRO A 142 -8.558 -3.526 8.493 1.00 51.11 H new ATOM 0 HD3 PRO A 142 -8.575 -2.618 9.992 1.00 51.11 H new ATOM 2312 N ARG A 143 -9.715 -7.960 11.085 1.00 10.40 N ATOM 2313 CA ARG A 143 -9.894 -9.360 10.620 1.00 3.42 C ATOM 2314 C ARG A 143 -11.351 -9.658 10.193 1.00 34.20 C ATOM 2315 O ARG A 143 -11.578 -10.184 9.108 1.00 44.11 O ATOM 2316 CB ARG A 143 -9.458 -10.347 11.733 1.00 74.33 C ATOM 2317 CG ARG A 143 -9.486 -11.845 11.335 1.00 31.34 C ATOM 2318 CD ARG A 143 -9.196 -12.774 12.529 1.00 53.30 C ATOM 2319 NE ARG A 143 -10.205 -12.621 13.599 1.00 20.03 N ATOM 2320 CZ ARG A 143 -9.991 -12.758 14.899 1.00 3.02 C ATOM 2321 NH1 ARG A 143 -8.826 -13.064 15.371 1.00 74.25 N ATOM 2322 NH2 ARG A 143 -10.967 -12.583 15.720 1.00 42.23 N ATOM 0 H ARG A 143 -9.482 -7.890 12.075 1.00 10.40 H new ATOM 0 HA ARG A 143 -9.265 -9.492 9.740 1.00 3.42 H new ATOM 0 HB2 ARG A 143 -8.447 -10.090 12.048 1.00 74.33 H new ATOM 0 HB3 ARG A 143 -10.107 -10.205 12.597 1.00 74.33 H new ATOM 0 HG2 ARG A 143 -10.463 -12.089 10.917 1.00 31.34 H new ATOM 0 HG3 ARG A 143 -8.750 -12.024 10.551 1.00 31.34 H new ATOM 0 HD2 ARG A 143 -9.180 -13.809 12.189 1.00 53.30 H new ATOM 0 HD3 ARG A 143 -8.206 -12.555 12.929 1.00 53.30 H new ATOM 0 HE ARG A 143 -11.155 -12.388 13.309 1.00 20.03 H new ATOM 0 HH11 ARG A 143 -8.040 -13.207 14.737 1.00 74.25 H new ATOM 0 HH12 ARG A 143 -8.693 -13.162 16.378 1.00 74.25 H new ATOM 0 HH21 ARG A 143 -11.893 -12.342 15.367 1.00 42.23 H new ATOM 0 HH22 ARG A 143 -10.814 -12.686 16.723 1.00 42.23 H new ATOM 2336 N GLU A 144 -12.329 -9.302 11.056 1.00 65.00 N ATOM 2337 CA GLU A 144 -13.776 -9.533 10.793 1.00 55.00 C ATOM 2338 C GLU A 144 -14.252 -8.789 9.520 1.00 72.11 C ATOM 2339 O GLU A 144 -15.138 -9.270 8.805 1.00 71.14 O ATOM 2340 CB GLU A 144 -14.621 -9.111 12.025 1.00 30.41 C ATOM 2341 CG GLU A 144 -16.128 -9.438 11.925 1.00 60.45 C ATOM 2342 CD GLU A 144 -16.921 -8.989 13.162 1.00 23.13 C ATOM 2343 OE1 GLU A 144 -17.341 -7.813 13.217 1.00 41.13 O ATOM 2344 OE2 GLU A 144 -17.118 -9.800 14.092 1.00 65.15 O ATOM 0 H GLU A 144 -12.144 -8.849 11.951 1.00 65.00 H new ATOM 0 HA GLU A 144 -13.918 -10.600 10.618 1.00 55.00 H new ATOM 0 HB2 GLU A 144 -14.216 -9.602 12.910 1.00 30.41 H new ATOM 0 HB3 GLU A 144 -14.506 -8.037 12.175 1.00 30.41 H new ATOM 0 HG2 GLU A 144 -16.541 -8.955 11.040 1.00 60.45 H new ATOM 0 HG3 GLU A 144 -16.253 -10.512 11.790 1.00 60.45 H new ATOM 2351 N PHE A 145 -13.632 -7.623 9.240 1.00 63.31 N ATOM 2352 CA PHE A 145 -13.829 -6.891 7.974 1.00 34.14 C ATOM 2353 C PHE A 145 -13.328 -7.716 6.767 1.00 32.34 C ATOM 2354 O PHE A 145 -13.983 -7.765 5.725 1.00 5.25 O ATOM 2355 CB PHE A 145 -13.103 -5.529 8.023 1.00 5.44 C ATOM 2356 CG PHE A 145 -13.187 -4.709 6.732 1.00 74.24 C ATOM 2357 CD1 PHE A 145 -14.371 -4.064 6.367 1.00 1.12 C ATOM 2358 CD2 PHE A 145 -12.082 -4.583 5.878 1.00 4.35 C ATOM 2359 CE1 PHE A 145 -14.445 -3.317 5.206 1.00 61.35 C ATOM 2360 CE2 PHE A 145 -12.163 -3.839 4.720 1.00 4.12 C ATOM 2361 CZ PHE A 145 -13.341 -3.207 4.381 1.00 25.11 C ATOM 0 H PHE A 145 -12.985 -7.166 9.882 1.00 63.31 H new ATOM 0 HA PHE A 145 -14.898 -6.721 7.849 1.00 34.14 H new ATOM 0 HB2 PHE A 145 -13.521 -4.940 8.839 1.00 5.44 H new ATOM 0 HB3 PHE A 145 -12.053 -5.701 8.260 1.00 5.44 H new ATOM 0 HD1 PHE A 145 -15.241 -4.150 7.001 1.00 1.12 H new ATOM 0 HD2 PHE A 145 -11.155 -5.076 6.131 1.00 4.35 H new ATOM 0 HE1 PHE A 145 -15.366 -2.819 4.943 1.00 61.35 H new ATOM 0 HE2 PHE A 145 -11.301 -3.751 4.076 1.00 4.12 H new ATOM 0 HZ PHE A 145 -13.401 -2.627 3.472 1.00 25.11 H new ATOM 2371 N LEU A 146 -12.173 -8.374 6.933 1.00 45.40 N ATOM 2372 CA LEU A 146 -11.568 -9.221 5.884 1.00 63.31 C ATOM 2373 C LEU A 146 -12.447 -10.465 5.604 1.00 3.54 C ATOM 2374 O LEU A 146 -12.535 -10.929 4.466 1.00 43.22 O ATOM 2375 CB LEU A 146 -10.120 -9.635 6.315 1.00 22.24 C ATOM 2376 CG LEU A 146 -9.009 -9.446 5.241 1.00 52.44 C ATOM 2377 CD1 LEU A 146 -7.625 -9.613 5.865 1.00 52.43 C ATOM 2378 CD2 LEU A 146 -9.201 -10.391 4.044 1.00 60.32 C ATOM 0 H LEU A 146 -11.629 -8.338 7.795 1.00 45.40 H new ATOM 0 HA LEU A 146 -11.507 -8.651 4.957 1.00 63.31 H new ATOM 0 HB2 LEU A 146 -9.846 -9.058 7.198 1.00 22.24 H new ATOM 0 HB3 LEU A 146 -10.136 -10.684 6.612 1.00 22.24 H new ATOM 0 HG LEU A 146 -9.090 -8.429 4.857 1.00 52.44 H new ATOM 0 HD11 LEU A 146 -6.862 -9.477 5.099 1.00 52.43 H new ATOM 0 HD12 LEU A 146 -7.488 -8.869 6.650 1.00 52.43 H new ATOM 0 HD13 LEU A 146 -7.537 -10.612 6.292 1.00 52.43 H new ATOM 0 HD21 LEU A 146 -8.404 -10.226 3.319 1.00 60.32 H new ATOM 0 HD22 LEU A 146 -9.170 -11.425 4.388 1.00 60.32 H new ATOM 0 HD23 LEU A 146 -10.165 -10.193 3.575 1.00 60.32 H new ATOM 2390 N GLN A 147 -13.091 -10.984 6.666 1.00 2.12 N ATOM 2391 CA GLN A 147 -13.978 -12.164 6.587 1.00 42.41 C ATOM 2392 C GLN A 147 -15.339 -11.817 5.930 1.00 72.13 C ATOM 2393 O GLN A 147 -15.848 -12.590 5.106 1.00 53.41 O ATOM 2394 CB GLN A 147 -14.176 -12.761 8.009 1.00 4.31 C ATOM 2395 CG GLN A 147 -12.848 -13.054 8.744 1.00 21.13 C ATOM 2396 CD GLN A 147 -13.021 -13.663 10.132 1.00 31.15 C ATOM 2397 OE1 GLN A 147 -13.179 -12.955 11.119 1.00 21.20 O ATOM 2398 NE2 GLN A 147 -12.933 -14.969 10.226 1.00 34.11 N ATOM 0 H GLN A 147 -13.012 -10.597 7.606 1.00 2.12 H new ATOM 0 HA GLN A 147 -13.504 -12.911 5.950 1.00 42.41 H new ATOM 0 HB2 GLN A 147 -14.768 -12.068 8.607 1.00 4.31 H new ATOM 0 HB3 GLN A 147 -14.750 -13.684 7.930 1.00 4.31 H new ATOM 0 HG2 GLN A 147 -12.251 -13.732 8.134 1.00 21.13 H new ATOM 0 HG3 GLN A 147 -12.284 -12.126 8.835 1.00 21.13 H new ATOM 0 HE21 GLN A 147 -12.801 -15.533 9.386 1.00 34.11 H new ATOM 0 HE22 GLN A 147 -12.996 -15.420 11.139 1.00 34.11 H new ATOM 2407 N GLN A 148 -15.921 -10.646 6.286 1.00 54.21 N ATOM 2408 CA GLN A 148 -17.195 -10.175 5.682 1.00 44.50 C ATOM 2409 C GLN A 148 -16.985 -9.790 4.200 1.00 43.35 C ATOM 2410 O GLN A 148 -17.865 -9.994 3.377 1.00 53.32 O ATOM 2411 CB GLN A 148 -17.823 -9.002 6.496 1.00 45.13 C ATOM 2412 CG GLN A 148 -17.126 -7.635 6.356 1.00 62.31 C ATOM 2413 CD GLN A 148 -17.650 -6.577 7.332 1.00 73.10 C ATOM 2414 OE1 GLN A 148 -17.167 -6.452 8.449 1.00 35.22 O ATOM 2415 NE2 GLN A 148 -18.652 -5.825 6.933 1.00 71.33 N ATOM 0 H GLN A 148 -15.532 -10.012 6.984 1.00 54.21 H new ATOM 0 HA GLN A 148 -17.907 -11.000 5.719 1.00 44.50 H new ATOM 0 HB2 GLN A 148 -18.863 -8.890 6.191 1.00 45.13 H new ATOM 0 HB3 GLN A 148 -17.828 -9.279 7.550 1.00 45.13 H new ATOM 0 HG2 GLN A 148 -16.055 -7.765 6.514 1.00 62.31 H new ATOM 0 HG3 GLN A 148 -17.256 -7.273 5.336 1.00 62.31 H new ATOM 0 HE21 GLN A 148 -19.039 -5.946 5.997 1.00 71.33 H new ATOM 0 HE22 GLN A 148 -19.042 -5.120 7.559 1.00 71.33 H new ATOM 2424 N GLN A 149 -15.795 -9.261 3.865 1.00 43.55 N ATOM 2425 CA GLN A 149 -15.418 -8.982 2.464 1.00 4.03 C ATOM 2426 C GLN A 149 -15.060 -10.274 1.707 1.00 74.15 C ATOM 2427 O GLN A 149 -15.270 -10.339 0.501 1.00 2.33 O ATOM 2428 CB GLN A 149 -14.254 -7.966 2.395 1.00 32.41 C ATOM 2429 CG GLN A 149 -14.622 -6.534 2.846 1.00 31.43 C ATOM 2430 CD GLN A 149 -15.672 -5.864 1.953 1.00 25.55 C ATOM 2431 OE1 GLN A 149 -15.343 -5.195 0.979 1.00 53.10 O ATOM 2432 NE2 GLN A 149 -16.941 -6.046 2.268 1.00 41.25 N ATOM 0 H GLN A 149 -15.075 -9.017 4.545 1.00 43.55 H new ATOM 0 HA GLN A 149 -16.286 -8.541 1.974 1.00 4.03 H new ATOM 0 HB2 GLN A 149 -13.435 -8.329 3.016 1.00 32.41 H new ATOM 0 HB3 GLN A 149 -13.884 -7.926 1.370 1.00 32.41 H new ATOM 0 HG2 GLN A 149 -14.995 -6.568 3.870 1.00 31.43 H new ATOM 0 HG3 GLN A 149 -13.720 -5.921 2.856 1.00 31.43 H new ATOM 0 HE21 GLN A 149 -17.189 -6.607 3.083 1.00 41.25 H new ATOM 0 HE22 GLN A 149 -17.674 -5.626 1.696 1.00 41.25 H new ATOM 2441 N TYR A 150 -14.515 -11.292 2.417 1.00 61.13 N ATOM 2442 CA TYR A 150 -14.239 -12.627 1.837 1.00 4.31 C ATOM 2443 C TYR A 150 -15.541 -13.257 1.310 1.00 62.23 C ATOM 2444 O TYR A 150 -15.661 -13.497 0.122 1.00 35.11 O ATOM 2445 CB TYR A 150 -13.570 -13.566 2.877 1.00 60.24 C ATOM 2446 CG TYR A 150 -13.073 -14.927 2.322 1.00 41.32 C ATOM 2447 CD1 TYR A 150 -13.890 -16.060 2.294 1.00 32.33 C ATOM 2448 CD2 TYR A 150 -11.774 -15.078 1.828 1.00 71.13 C ATOM 2449 CE1 TYR A 150 -13.428 -17.266 1.794 1.00 12.43 C ATOM 2450 CE2 TYR A 150 -11.313 -16.280 1.330 1.00 5.43 C ATOM 2451 CZ TYR A 150 -12.140 -17.371 1.313 1.00 72.32 C ATOM 2452 OH TYR A 150 -11.679 -18.574 0.814 1.00 54.02 O ATOM 0 H TYR A 150 -14.256 -11.211 3.400 1.00 61.13 H new ATOM 0 HA TYR A 150 -13.545 -12.497 1.007 1.00 4.31 H new ATOM 0 HB2 TYR A 150 -12.723 -13.043 3.322 1.00 60.24 H new ATOM 0 HB3 TYR A 150 -14.283 -13.758 3.679 1.00 60.24 H new ATOM 0 HD1 TYR A 150 -14.901 -15.994 2.669 1.00 32.33 H new ATOM 0 HD2 TYR A 150 -11.110 -14.227 1.836 1.00 71.13 H new ATOM 0 HE1 TYR A 150 -14.079 -18.128 1.781 1.00 12.43 H new ATOM 0 HE2 TYR A 150 -10.303 -16.360 0.955 1.00 5.43 H new ATOM 0 HH TYR A 150 -10.751 -18.471 0.516 1.00 54.02 H new ATOM 2462 N ARG A 151 -16.529 -13.454 2.210 1.00 64.34 N ATOM 2463 CA ARG A 151 -17.810 -14.141 1.884 1.00 12.32 C ATOM 2464 C ARG A 151 -18.614 -13.404 0.769 1.00 64.21 C ATOM 2465 O ARG A 151 -19.195 -14.049 -0.127 1.00 1.14 O ATOM 2466 CB ARG A 151 -18.677 -14.301 3.161 1.00 42.32 C ATOM 2467 CG ARG A 151 -19.021 -12.973 3.865 1.00 33.51 C ATOM 2468 CD ARG A 151 -19.980 -13.132 5.048 1.00 3.54 C ATOM 2469 NE ARG A 151 -21.325 -13.559 4.625 1.00 22.54 N ATOM 2470 CZ ARG A 151 -22.413 -13.506 5.371 1.00 23.03 C ATOM 2471 NH1 ARG A 151 -22.377 -13.042 6.592 1.00 1.44 N ATOM 2472 NH2 ARG A 151 -23.540 -13.900 4.875 1.00 24.23 N ATOM 0 H ARG A 151 -16.467 -13.145 3.180 1.00 64.34 H new ATOM 0 HA ARG A 151 -17.556 -15.127 1.496 1.00 12.32 H new ATOM 0 HB2 ARG A 151 -19.604 -14.809 2.895 1.00 42.32 H new ATOM 0 HB3 ARG A 151 -18.151 -14.946 3.865 1.00 42.32 H new ATOM 0 HG2 ARG A 151 -18.099 -12.509 4.216 1.00 33.51 H new ATOM 0 HG3 ARG A 151 -19.464 -12.292 3.139 1.00 33.51 H new ATOM 0 HD2 ARG A 151 -19.573 -13.862 5.747 1.00 3.54 H new ATOM 0 HD3 ARG A 151 -20.053 -12.185 5.583 1.00 3.54 H new ATOM 0 HE ARG A 151 -21.424 -13.926 3.678 1.00 22.54 H new ATOM 0 HH11 ARG A 151 -21.496 -12.712 6.986 1.00 1.44 H new ATOM 0 HH12 ARG A 151 -23.230 -13.010 7.151 1.00 1.44 H new ATOM 0 HH21 ARG A 151 -23.582 -14.247 3.917 1.00 24.23 H new ATOM 0 HH22 ARG A 151 -24.387 -13.864 5.442 1.00 24.23 H new ATOM 2486 N LEU A 152 -18.617 -12.050 0.815 1.00 34.10 N ATOM 2487 CA LEU A 152 -19.320 -11.212 -0.180 1.00 41.41 C ATOM 2488 C LEU A 152 -18.574 -11.217 -1.530 1.00 21.22 C ATOM 2489 O LEU A 152 -19.178 -11.004 -2.574 1.00 64.53 O ATOM 2490 CB LEU A 152 -19.485 -9.763 0.350 1.00 34.24 C ATOM 2491 CG LEU A 152 -20.391 -9.601 1.615 1.00 34.10 C ATOM 2492 CD1 LEU A 152 -20.364 -8.149 2.142 1.00 24.25 C ATOM 2493 CD2 LEU A 152 -21.838 -10.083 1.348 1.00 70.14 C ATOM 0 H LEU A 152 -18.136 -11.514 1.537 1.00 34.10 H new ATOM 0 HA LEU A 152 -20.311 -11.635 -0.342 1.00 41.41 H new ATOM 0 HB2 LEU A 152 -18.497 -9.366 0.581 1.00 34.24 H new ATOM 0 HB3 LEU A 152 -19.897 -9.148 -0.450 1.00 34.24 H new ATOM 0 HG LEU A 152 -19.979 -10.241 2.395 1.00 34.10 H new ATOM 0 HD11 LEU A 152 -21.003 -8.069 3.021 1.00 24.25 H new ATOM 0 HD12 LEU A 152 -19.343 -7.878 2.410 1.00 24.25 H new ATOM 0 HD13 LEU A 152 -20.727 -7.474 1.367 1.00 24.25 H new ATOM 0 HD21 LEU A 152 -22.437 -9.955 2.250 1.00 70.14 H new ATOM 0 HD22 LEU A 152 -22.273 -9.498 0.538 1.00 70.14 H new ATOM 0 HD23 LEU A 152 -21.825 -11.136 1.068 1.00 70.14 H new ATOM 2505 N PHE A 153 -17.249 -11.411 -1.482 1.00 23.42 N ATOM 2506 CA PHE A 153 -16.429 -11.690 -2.677 1.00 1.33 C ATOM 2507 C PHE A 153 -16.726 -13.101 -3.266 1.00 10.41 C ATOM 2508 O PHE A 153 -16.747 -13.276 -4.491 1.00 2.13 O ATOM 2509 CB PHE A 153 -14.937 -11.547 -2.297 1.00 11.50 C ATOM 2510 CG PHE A 153 -13.978 -11.545 -3.465 1.00 4.34 C ATOM 2511 CD1 PHE A 153 -13.732 -10.371 -4.177 1.00 52.22 C ATOM 2512 CD2 PHE A 153 -13.316 -12.709 -3.853 1.00 3.21 C ATOM 2513 CE1 PHE A 153 -12.861 -10.365 -5.236 1.00 13.22 C ATOM 2514 CE2 PHE A 153 -12.449 -12.695 -4.911 1.00 43.01 C ATOM 2515 CZ PHE A 153 -12.221 -11.526 -5.604 1.00 71.15 C ATOM 0 H PHE A 153 -16.712 -11.380 -0.615 1.00 23.42 H new ATOM 0 HA PHE A 153 -16.681 -10.971 -3.457 1.00 1.33 H new ATOM 0 HB2 PHE A 153 -14.807 -10.620 -1.738 1.00 11.50 H new ATOM 0 HB3 PHE A 153 -14.668 -12.364 -1.627 1.00 11.50 H new ATOM 0 HD1 PHE A 153 -14.233 -9.458 -3.891 1.00 52.22 H new ATOM 0 HD2 PHE A 153 -13.489 -13.629 -3.314 1.00 3.21 H new ATOM 0 HE1 PHE A 153 -12.678 -9.450 -5.780 1.00 13.22 H new ATOM 0 HE2 PHE A 153 -11.942 -13.602 -5.204 1.00 43.01 H new ATOM 0 HZ PHE A 153 -11.537 -11.521 -6.440 1.00 71.15 H new ATOM 2525 N GLN A 154 -16.972 -14.101 -2.385 1.00 32.43 N ATOM 2526 CA GLN A 154 -17.193 -15.510 -2.813 1.00 61.23 C ATOM 2527 C GLN A 154 -18.558 -15.699 -3.488 1.00 0.14 C ATOM 2528 O GLN A 154 -18.678 -16.477 -4.443 1.00 3.53 O ATOM 2529 CB GLN A 154 -17.051 -16.510 -1.635 1.00 31.43 C ATOM 2530 CG GLN A 154 -15.742 -16.387 -0.847 1.00 5.42 C ATOM 2531 CD GLN A 154 -14.471 -16.412 -1.704 1.00 34.11 C ATOM 2532 OE1 GLN A 154 -14.368 -17.144 -2.686 1.00 73.52 O ATOM 2533 NE2 GLN A 154 -13.512 -15.569 -1.364 1.00 33.13 N ATOM 0 H GLN A 154 -17.023 -13.962 -1.376 1.00 32.43 H new ATOM 0 HA GLN A 154 -16.412 -15.725 -3.542 1.00 61.23 H new ATOM 0 HB2 GLN A 154 -17.887 -16.365 -0.950 1.00 31.43 H new ATOM 0 HB3 GLN A 154 -17.131 -17.525 -2.025 1.00 31.43 H new ATOM 0 HG2 GLN A 154 -15.762 -15.457 -0.279 1.00 5.42 H new ATOM 0 HG3 GLN A 154 -15.692 -17.201 -0.124 1.00 5.42 H new ATOM 0 HE21 GLN A 154 -13.624 -14.973 -0.544 1.00 33.13 H new ATOM 0 HE22 GLN A 154 -12.660 -15.514 -1.922 1.00 33.13 H new ATOM 2542 N THR A 155 -19.580 -14.967 -3.005 1.00 71.41 N ATOM 2543 CA THR A 155 -20.942 -15.037 -3.595 1.00 51.12 C ATOM 2544 C THR A 155 -20.945 -14.511 -5.057 1.00 44.54 C ATOM 2545 O THR A 155 -21.749 -14.949 -5.880 1.00 11.13 O ATOM 2546 CB THR A 155 -22.007 -14.269 -2.732 1.00 3.44 C ATOM 2547 OG1 THR A 155 -23.332 -14.500 -3.242 1.00 40.44 O ATOM 2548 CG2 THR A 155 -21.753 -12.761 -2.671 1.00 1.03 C ATOM 0 H THR A 155 -19.496 -14.325 -2.217 1.00 71.41 H new ATOM 0 HA THR A 155 -21.227 -16.089 -3.601 1.00 51.12 H new ATOM 0 HB THR A 155 -21.916 -14.663 -1.720 1.00 3.44 H new ATOM 0 HG1 THR A 155 -23.983 -14.016 -2.692 1.00 40.44 H new ATOM 0 HG21 THR A 155 -22.522 -12.287 -2.061 1.00 1.03 H new ATOM 0 HG22 THR A 155 -20.774 -12.575 -2.230 1.00 1.03 H new ATOM 0 HG23 THR A 155 -21.782 -12.346 -3.678 1.00 1.03 H new ATOM 2556 N ARG A 156 -20.004 -13.599 -5.367 1.00 72.04 N ATOM 2557 CA ARG A 156 -19.819 -13.046 -6.723 1.00 71.20 C ATOM 2558 C ARG A 156 -19.322 -14.131 -7.707 1.00 43.51 C ATOM 2559 O ARG A 156 -19.946 -14.384 -8.744 1.00 54.54 O ATOM 2560 CB ARG A 156 -18.801 -11.878 -6.663 1.00 4.02 C ATOM 2561 CG ARG A 156 -19.194 -10.736 -5.701 1.00 4.23 C ATOM 2562 CD ARG A 156 -18.066 -9.704 -5.505 1.00 1.45 C ATOM 2563 NE ARG A 156 -18.354 -8.758 -4.409 1.00 63.15 N ATOM 2564 CZ ARG A 156 -17.516 -7.845 -3.942 1.00 23.24 C ATOM 2565 NH1 ARG A 156 -16.328 -7.702 -4.445 1.00 55.34 N ATOM 2566 NH2 ARG A 156 -17.875 -7.075 -2.964 1.00 44.32 N ATOM 0 H ARG A 156 -19.348 -13.224 -4.682 1.00 72.04 H new ATOM 0 HA ARG A 156 -20.780 -12.682 -7.085 1.00 71.20 H new ATOM 0 HB2 ARG A 156 -17.831 -12.273 -6.361 1.00 4.02 H new ATOM 0 HB3 ARG A 156 -18.680 -11.467 -7.665 1.00 4.02 H new ATOM 0 HG2 ARG A 156 -20.079 -10.231 -6.087 1.00 4.23 H new ATOM 0 HG3 ARG A 156 -19.465 -11.159 -4.734 1.00 4.23 H new ATOM 0 HD2 ARG A 156 -17.132 -10.226 -5.295 1.00 1.45 H new ATOM 0 HD3 ARG A 156 -17.920 -9.149 -6.432 1.00 1.45 H new ATOM 0 HE ARG A 156 -19.276 -8.812 -3.975 1.00 63.15 H new ATOM 0 HH11 ARG A 156 -16.025 -8.299 -5.214 1.00 55.34 H new ATOM 0 HH12 ARG A 156 -15.698 -6.993 -4.071 1.00 55.34 H new ATOM 0 HH21 ARG A 156 -18.804 -7.172 -2.553 1.00 44.32 H new ATOM 0 HH22 ARG A 156 -17.229 -6.372 -2.605 1.00 44.32 H new ATOM 2580 N LEU A 157 -18.206 -14.790 -7.339 1.00 3.52 N ATOM 2581 CA LEU A 157 -17.514 -15.752 -8.220 1.00 2.34 C ATOM 2582 C LEU A 157 -18.254 -17.110 -8.355 1.00 42.20 C ATOM 2583 O LEU A 157 -18.168 -17.756 -9.405 1.00 2.45 O ATOM 2584 CB LEU A 157 -16.028 -15.923 -7.769 1.00 3.42 C ATOM 2585 CG LEU A 157 -15.742 -16.223 -6.250 1.00 12.41 C ATOM 2586 CD1 LEU A 157 -15.992 -17.699 -5.861 1.00 62.41 C ATOM 2587 CD2 LEU A 157 -14.317 -15.782 -5.864 1.00 12.03 C ATOM 0 H LEU A 157 -17.761 -14.672 -6.429 1.00 3.52 H new ATOM 0 HA LEU A 157 -17.521 -15.333 -9.226 1.00 2.34 H new ATOM 0 HB2 LEU A 157 -15.593 -16.732 -8.356 1.00 3.42 H new ATOM 0 HB3 LEU A 157 -15.492 -15.012 -8.035 1.00 3.42 H new ATOM 0 HG LEU A 157 -16.460 -15.634 -5.679 1.00 12.41 H new ATOM 0 HD11 LEU A 157 -15.776 -17.838 -4.802 1.00 62.41 H new ATOM 0 HD12 LEU A 157 -17.033 -17.955 -6.056 1.00 62.41 H new ATOM 0 HD13 LEU A 157 -15.343 -18.346 -6.451 1.00 62.41 H new ATOM 0 HD21 LEU A 157 -14.142 -15.999 -4.810 1.00 12.03 H new ATOM 0 HD22 LEU A 157 -13.592 -16.323 -6.471 1.00 12.03 H new ATOM 0 HD23 LEU A 157 -14.208 -14.711 -6.037 1.00 12.03 H new ATOM 2599 N THR A 158 -18.984 -17.549 -7.303 1.00 64.21 N ATOM 2600 CA THR A 158 -19.738 -18.835 -7.352 1.00 72.25 C ATOM 2601 C THR A 158 -20.978 -18.747 -8.273 1.00 1.01 C ATOM 2602 O THR A 158 -21.329 -19.724 -8.946 1.00 65.53 O ATOM 2603 CB THR A 158 -20.175 -19.348 -5.931 1.00 75.02 C ATOM 2604 OG1 THR A 158 -20.758 -20.664 -6.036 1.00 14.15 O ATOM 2605 CG2 THR A 158 -21.177 -18.409 -5.227 1.00 12.21 C ATOM 0 H THR A 158 -19.070 -17.045 -6.421 1.00 64.21 H new ATOM 0 HA THR A 158 -19.037 -19.559 -7.768 1.00 72.25 H new ATOM 0 HB THR A 158 -19.270 -19.375 -5.324 1.00 75.02 H new ATOM 0 HG1 THR A 158 -21.025 -20.975 -5.146 1.00 14.15 H new ATOM 0 HG21 THR A 158 -21.438 -18.820 -4.252 1.00 12.21 H new ATOM 0 HG22 THR A 158 -20.725 -17.426 -5.097 1.00 12.21 H new ATOM 0 HG23 THR A 158 -22.077 -18.317 -5.834 1.00 12.21 H new ATOM 2613 N GLU A 159 -21.628 -17.566 -8.310 1.00 70.41 N ATOM 2614 CA GLU A 159 -22.843 -17.350 -9.129 1.00 43.35 C ATOM 2615 C GLU A 159 -22.498 -17.022 -10.599 1.00 2.33 C ATOM 2616 O GLU A 159 -23.261 -17.373 -11.506 1.00 41.01 O ATOM 2617 CB GLU A 159 -23.723 -16.232 -8.508 1.00 2.21 C ATOM 2618 CG GLU A 159 -24.299 -16.565 -7.111 1.00 51.21 C ATOM 2619 CD GLU A 159 -25.204 -15.448 -6.553 1.00 11.53 C ATOM 2620 OE1 GLU A 159 -26.424 -15.462 -6.827 1.00 34.15 O ATOM 2621 OE2 GLU A 159 -24.698 -14.544 -5.856 1.00 14.32 O ATOM 0 H GLU A 159 -21.333 -16.745 -7.782 1.00 70.41 H new ATOM 0 HA GLU A 159 -23.408 -18.282 -9.131 1.00 43.35 H new ATOM 0 HB2 GLU A 159 -23.130 -15.320 -8.434 1.00 2.21 H new ATOM 0 HB3 GLU A 159 -24.550 -16.020 -9.186 1.00 2.21 H new ATOM 0 HG2 GLU A 159 -24.869 -17.492 -7.170 1.00 51.21 H new ATOM 0 HG3 GLU A 159 -23.477 -16.740 -6.417 1.00 51.21 H new ATOM 2628 N THR A 160 -21.359 -16.340 -10.831 1.00 52.52 N ATOM 2629 CA THR A 160 -20.890 -16.007 -12.207 1.00 23.43 C ATOM 2630 C THR A 160 -20.078 -17.188 -12.827 1.00 23.44 C ATOM 2631 O THR A 160 -20.640 -17.954 -13.639 1.00 35.25 O ATOM 2632 CB THR A 160 -20.028 -14.693 -12.216 1.00 25.01 C ATOM 2633 OG1 THR A 160 -20.752 -13.631 -11.574 1.00 1.34 O ATOM 2634 CG2 THR A 160 -19.652 -14.244 -13.647 1.00 70.22 C ATOM 2635 OXT THR A 160 -18.890 -17.364 -12.471 1.00 37.27 O ATOM 0 H THR A 160 -20.742 -16.006 -10.090 1.00 52.52 H new ATOM 0 HA THR A 160 -21.777 -15.838 -12.818 1.00 23.43 H new ATOM 0 HB THR A 160 -19.106 -14.913 -11.677 1.00 25.01 H new ATOM 0 HG1 THR A 160 -20.625 -13.689 -10.604 1.00 1.34 H new ATOM 0 HG21 THR A 160 -19.057 -13.332 -13.598 1.00 70.22 H new ATOM 0 HG22 THR A 160 -19.074 -15.029 -14.134 1.00 70.22 H new ATOM 0 HG23 THR A 160 -20.560 -14.054 -14.219 1.00 70.22 H new TER 2643 THR A 160