USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1135 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 23 GLN : amide:sc= -0.614 X(o=-0.49,f=-0.17) USER MOD Set 1.2: A 31 THR OG1 : rot 41:sc= 0.122 USER MOD Set 2.1: A 25 HIS : no HD1:sc= -2.67! C(o=-2.3!,f=-5.9!) USER MOD Set 2.2: A 128 SER OG : rot -48:sc= 0.334 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0694 (180deg=-0.336) USER MOD Single : A 1 MET N :NH3+ -149:sc= 1.1 (180deg=0.228) USER MOD Single : A 9 THR OG1 : rot 113:sc= -0.904 USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= -1.29! (180deg=-1.47!) USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= -0.0139 (180deg=-0.153) USER MOD Single : A 28 ASN : amide:sc= -3.2! K(o=-3.2!,f=-0.23) USER MOD Single : A 30 LYS NZ :NH3+ -107:sc= 0.195 (180deg=-0.28) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0239) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0.429 (180deg=0.359) USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= 0.463 (180deg=0.14) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= -0.0126 (180deg=-0.152) USER MOD Single : A 50 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -133:sc= 1.2 (180deg=0.0965) USER MOD Single : A 72 TYR OH : rot -84:sc= 0.247 USER MOD Single : A 74 GLN : amide:sc= -1.98! K(o=-2!,f=-0.086) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 140:sc= 0.012 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0506) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 144:sc= 0.809 (180deg=-0.918!) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= -0.0109 (180deg=-0.157) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0.414 (180deg=0.262) USER MOD Single : A 102 LYS NZ :NH3+ -161:sc= 0.469 (180deg=0.0963) USER MOD Single : A 104 TYR OH : rot 30:sc= -0.0134 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -140:sc= -0.664 USER MOD Single : A 111 ASN : amide:sc= 0.349 K(o=0.35,f=-3.1!) USER MOD Single : A 116 LYS NZ :NH3+ -150:sc= 0.844 (180deg=0.332) USER MOD Single : A 117 LYS NZ :NH3+ -116:sc= 0.768 (180deg=-0.0969) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -172:sc= 0.458 (180deg=0.422) USER MOD Single : A 125 LYS NZ :NH3+ -144:sc= -0.0825 (180deg=-0.378) USER MOD Single : A 126 SER OG : rot -8:sc= 0.523 USER MOD Single : A 131 HIS : no HE2:sc= -0.737 X(o=-0.74,f=-1.2) USER MOD Single : A 132 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=-0.26) USER MOD Single : A 133 HIS : no HD1:sc= -0.783 K(o=-0.78,f=0.049) USER MOD Single : A 134 HIS : no HD1:sc=-0.00328 X(o=-0.0033,f=-0.29) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 HIS : no HE2:sc= 0.0417 K(o=0.042,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.876 -2.223 16.321 1.00 33.24 N ATOM 2 CA MET A 1 4.136 -2.980 16.102 1.00 54.31 C ATOM 3 C MET A 1 4.899 -2.400 14.893 1.00 44.52 C ATOM 4 O MET A 1 6.135 -2.364 14.876 1.00 11.21 O ATOM 5 CB MET A 1 3.800 -4.480 15.885 1.00 42.11 C ATOM 6 CG MET A 1 5.018 -5.409 15.761 1.00 70.23 C ATOM 7 SD MET A 1 6.025 -5.462 17.265 1.00 31.44 S ATOM 8 CE MET A 1 4.879 -6.132 18.480 1.00 44.12 C ATOM 0 H1 MET A 1 2.644 -2.221 17.335 1.00 33.24 H new ATOM 0 H2 MET A 1 2.997 -1.244 15.992 1.00 33.24 H new ATOM 0 H3 MET A 1 2.104 -2.674 15.790 1.00 33.24 H new ATOM 0 HA MET A 1 4.779 -2.889 16.978 1.00 54.31 H new ATOM 0 HB2 MET A 1 3.184 -4.823 16.717 1.00 42.11 H new ATOM 0 HB3 MET A 1 3.197 -4.574 14.982 1.00 42.11 H new ATOM 0 HG2 MET A 1 4.677 -6.417 15.524 1.00 70.23 H new ATOM 0 HG3 MET A 1 5.637 -5.078 14.927 1.00 70.23 H new ATOM 0 HE1 MET A 1 5.434 -6.478 19.352 1.00 44.12 H new ATOM 0 HE2 MET A 1 4.175 -5.357 18.782 1.00 44.12 H new ATOM 0 HE3 MET A 1 4.333 -6.968 18.043 1.00 44.12 H new ATOM 20 N GLY A 2 4.130 -1.947 13.890 1.00 61.10 N ATOM 21 CA GLY A 2 4.671 -1.381 12.653 1.00 71.41 C ATOM 22 C GLY A 2 3.555 -0.828 11.784 1.00 33.24 C ATOM 23 O GLY A 2 2.436 -0.627 12.270 1.00 74.05 O ATOM 0 H GLY A 2 3.111 -1.965 13.919 1.00 61.10 H new ATOM 0 HA2 GLY A 2 5.381 -0.589 12.890 1.00 71.41 H new ATOM 0 HA3 GLY A 2 5.219 -2.148 12.106 1.00 71.41 H new ATOM 27 N VAL A 3 3.845 -0.567 10.501 1.00 5.05 N ATOM 28 CA VAL A 3 2.875 0.013 9.543 1.00 55.33 C ATOM 29 C VAL A 3 2.999 -0.705 8.185 1.00 42.22 C ATOM 30 O VAL A 3 4.097 -1.083 7.780 1.00 4.00 O ATOM 31 CB VAL A 3 3.103 1.578 9.388 1.00 75.44 C ATOM 32 CG1 VAL A 3 2.301 2.186 8.217 1.00 71.13 C ATOM 33 CG2 VAL A 3 2.782 2.316 10.713 1.00 61.32 C ATOM 0 H VAL A 3 4.761 -0.751 10.091 1.00 5.05 H new ATOM 0 HA VAL A 3 1.865 -0.134 9.925 1.00 55.33 H new ATOM 0 HB VAL A 3 4.158 1.718 9.153 1.00 75.44 H new ATOM 0 HG11 VAL A 3 2.496 3.257 8.160 1.00 71.13 H new ATOM 0 HG12 VAL A 3 2.604 1.712 7.284 1.00 71.13 H new ATOM 0 HG13 VAL A 3 1.236 2.019 8.380 1.00 71.13 H new ATOM 0 HG21 VAL A 3 2.945 3.386 10.582 1.00 61.32 H new ATOM 0 HG22 VAL A 3 1.742 2.138 10.986 1.00 61.32 H new ATOM 0 HG23 VAL A 3 3.433 1.943 11.504 1.00 61.32 H new ATOM 43 N VAL A 4 1.858 -0.939 7.514 1.00 30.25 N ATOM 44 CA VAL A 4 1.805 -1.566 6.183 1.00 21.54 C ATOM 45 C VAL A 4 0.954 -0.677 5.253 1.00 14.51 C ATOM 46 O VAL A 4 -0.239 -0.496 5.489 1.00 2.25 O ATOM 47 CB VAL A 4 1.209 -3.029 6.247 1.00 43.21 C ATOM 48 CG1 VAL A 4 1.172 -3.691 4.856 1.00 32.43 C ATOM 49 CG2 VAL A 4 1.983 -3.916 7.247 1.00 73.53 C ATOM 0 H VAL A 4 0.939 -0.696 7.884 1.00 30.25 H new ATOM 0 HA VAL A 4 2.820 -1.653 5.795 1.00 21.54 H new ATOM 0 HB VAL A 4 0.183 -2.935 6.602 1.00 43.21 H new ATOM 0 HG11 VAL A 4 0.756 -4.695 4.942 1.00 32.43 H new ATOM 0 HG12 VAL A 4 0.550 -3.097 4.187 1.00 32.43 H new ATOM 0 HG13 VAL A 4 2.184 -3.750 4.454 1.00 32.43 H new ATOM 0 HG21 VAL A 4 1.544 -4.914 7.263 1.00 73.53 H new ATOM 0 HG22 VAL A 4 3.027 -3.984 6.941 1.00 73.53 H new ATOM 0 HG23 VAL A 4 1.925 -3.478 8.243 1.00 73.53 H new ATOM 59 N ILE A 5 1.596 -0.102 4.226 1.00 51.34 N ATOM 60 CA ILE A 5 0.954 0.757 3.218 1.00 4.15 C ATOM 61 C ILE A 5 0.804 -0.044 1.909 1.00 31.23 C ATOM 62 O ILE A 5 1.798 -0.356 1.263 1.00 52.32 O ATOM 63 CB ILE A 5 1.830 2.046 2.954 1.00 55.22 C ATOM 64 CG1 ILE A 5 2.086 2.817 4.286 1.00 44.23 C ATOM 65 CG2 ILE A 5 1.184 2.965 1.887 1.00 31.23 C ATOM 66 CD1 ILE A 5 3.021 4.004 4.167 1.00 35.10 C ATOM 0 H ILE A 5 2.597 -0.223 4.069 1.00 51.34 H new ATOM 0 HA ILE A 5 -0.024 1.072 3.581 1.00 4.15 H new ATOM 0 HB ILE A 5 2.792 1.722 2.558 1.00 55.22 H new ATOM 0 HG12 ILE A 5 1.130 3.164 4.677 1.00 44.23 H new ATOM 0 HG13 ILE A 5 2.497 2.122 5.018 1.00 44.23 H new ATOM 0 HG21 ILE A 5 1.814 3.841 1.732 1.00 31.23 H new ATOM 0 HG22 ILE A 5 1.084 2.419 0.949 1.00 31.23 H new ATOM 0 HG23 ILE A 5 0.199 3.283 2.229 1.00 31.23 H new ATOM 0 HD11 ILE A 5 3.137 4.475 5.143 1.00 35.10 H new ATOM 0 HD12 ILE A 5 3.994 3.667 3.809 1.00 35.10 H new ATOM 0 HD13 ILE A 5 2.606 4.725 3.463 1.00 35.10 H new ATOM 78 N LEU A 6 -0.434 -0.400 1.553 1.00 41.21 N ATOM 79 CA LEU A 6 -0.737 -1.151 0.325 1.00 32.15 C ATOM 80 C LEU A 6 -1.196 -0.180 -0.763 1.00 45.13 C ATOM 81 O LEU A 6 -2.332 0.297 -0.735 1.00 22.12 O ATOM 82 CB LEU A 6 -1.857 -2.181 0.616 1.00 14.42 C ATOM 83 CG LEU A 6 -1.612 -3.116 1.824 1.00 65.20 C ATOM 84 CD1 LEU A 6 -2.797 -4.060 2.033 1.00 73.15 C ATOM 85 CD2 LEU A 6 -0.309 -3.893 1.664 1.00 43.23 C ATOM 0 H LEU A 6 -1.259 -0.176 2.109 1.00 41.21 H new ATOM 0 HA LEU A 6 0.156 -1.676 -0.015 1.00 32.15 H new ATOM 0 HB2 LEU A 6 -2.789 -1.640 0.782 1.00 14.42 H new ATOM 0 HB3 LEU A 6 -2.000 -2.796 -0.273 1.00 14.42 H new ATOM 0 HG LEU A 6 -1.518 -2.495 2.715 1.00 65.20 H new ATOM 0 HD11 LEU A 6 -2.600 -4.707 2.888 1.00 73.15 H new ATOM 0 HD12 LEU A 6 -3.699 -3.476 2.219 1.00 73.15 H new ATOM 0 HD13 LEU A 6 -2.938 -4.670 1.141 1.00 73.15 H new ATOM 0 HD21 LEU A 6 -0.164 -4.542 2.528 1.00 43.23 H new ATOM 0 HD22 LEU A 6 -0.355 -4.499 0.759 1.00 43.23 H new ATOM 0 HD23 LEU A 6 0.524 -3.194 1.590 1.00 43.23 H new ATOM 97 N VAL A 7 -0.308 0.126 -1.706 1.00 3.33 N ATOM 98 CA VAL A 7 -0.626 0.998 -2.837 1.00 70.00 C ATOM 99 C VAL A 7 -1.120 0.134 -4.021 1.00 30.04 C ATOM 100 O VAL A 7 -0.328 -0.560 -4.670 1.00 1.54 O ATOM 101 CB VAL A 7 0.619 1.878 -3.253 1.00 23.33 C ATOM 102 CG1 VAL A 7 0.239 2.907 -4.339 1.00 51.41 C ATOM 103 CG2 VAL A 7 1.233 2.579 -2.018 1.00 61.43 C ATOM 0 H VAL A 7 0.651 -0.222 -1.709 1.00 3.33 H new ATOM 0 HA VAL A 7 -1.417 1.687 -2.542 1.00 70.00 H new ATOM 0 HB VAL A 7 1.372 1.213 -3.676 1.00 23.33 H new ATOM 0 HG11 VAL A 7 1.116 3.497 -4.604 1.00 51.41 H new ATOM 0 HG12 VAL A 7 -0.128 2.385 -5.223 1.00 51.41 H new ATOM 0 HG13 VAL A 7 -0.541 3.567 -3.958 1.00 51.41 H new ATOM 0 HG21 VAL A 7 2.088 3.179 -2.328 1.00 61.43 H new ATOM 0 HG22 VAL A 7 0.485 3.224 -1.557 1.00 61.43 H new ATOM 0 HG23 VAL A 7 1.558 1.828 -1.298 1.00 61.43 H new ATOM 113 N LEU A 8 -2.450 0.155 -4.259 1.00 34.11 N ATOM 114 CA LEU A 8 -3.093 -0.558 -5.373 1.00 4.34 C ATOM 115 C LEU A 8 -3.129 0.370 -6.600 1.00 53.42 C ATOM 116 O LEU A 8 -3.985 1.248 -6.686 1.00 54.13 O ATOM 117 CB LEU A 8 -4.544 -1.016 -4.996 1.00 43.53 C ATOM 118 CG LEU A 8 -4.686 -2.263 -4.053 1.00 4.03 C ATOM 119 CD1 LEU A 8 -4.159 -1.986 -2.631 1.00 3.20 C ATOM 120 CD2 LEU A 8 -6.151 -2.762 -4.025 1.00 10.45 C ATOM 0 H LEU A 8 -3.108 0.673 -3.676 1.00 34.11 H new ATOM 0 HA LEU A 8 -2.516 -1.455 -5.599 1.00 4.34 H new ATOM 0 HB2 LEU A 8 -5.050 -0.175 -4.521 1.00 43.53 H new ATOM 0 HB3 LEU A 8 -5.081 -1.230 -5.920 1.00 43.53 H new ATOM 0 HG LEU A 8 -4.061 -3.055 -4.466 1.00 4.03 H new ATOM 0 HD11 LEU A 8 -4.280 -2.879 -2.018 1.00 3.20 H new ATOM 0 HD12 LEU A 8 -3.103 -1.719 -2.680 1.00 3.20 H new ATOM 0 HD13 LEU A 8 -4.721 -1.164 -2.188 1.00 3.20 H new ATOM 0 HD21 LEU A 8 -6.228 -3.627 -3.366 1.00 10.45 H new ATOM 0 HD22 LEU A 8 -6.799 -1.967 -3.658 1.00 10.45 H new ATOM 0 HD23 LEU A 8 -6.458 -3.045 -5.032 1.00 10.45 H new ATOM 132 N THR A 9 -2.229 0.140 -7.572 1.00 10.31 N ATOM 133 CA THR A 9 -2.081 1.018 -8.746 1.00 63.02 C ATOM 134 C THR A 9 -2.709 0.347 -9.974 1.00 31.31 C ATOM 135 O THR A 9 -2.480 -0.844 -10.229 1.00 60.14 O ATOM 136 CB THR A 9 -0.560 1.298 -9.030 1.00 2.14 C ATOM 137 OG1 THR A 9 0.135 0.055 -9.218 1.00 4.13 O ATOM 138 CG2 THR A 9 0.121 2.083 -7.897 1.00 72.20 C ATOM 0 H THR A 9 -1.588 -0.654 -7.567 1.00 10.31 H new ATOM 0 HA THR A 9 -2.586 1.962 -8.542 1.00 63.02 H new ATOM 0 HB THR A 9 -0.514 1.909 -9.932 1.00 2.14 H new ATOM 0 HG1 THR A 9 0.437 -0.014 -10.148 1.00 4.13 H new ATOM 0 HG21 THR A 9 1.169 2.247 -8.147 1.00 72.20 H new ATOM 0 HG22 THR A 9 -0.377 3.044 -7.770 1.00 72.20 H new ATOM 0 HG23 THR A 9 0.054 1.515 -6.969 1.00 72.20 H new ATOM 146 N GLY A 10 -3.479 1.134 -10.744 1.00 45.11 N ATOM 147 CA GLY A 10 -4.096 0.656 -11.977 1.00 74.10 C ATOM 148 C GLY A 10 -3.063 0.384 -13.043 1.00 23.40 C ATOM 149 O GLY A 10 -3.108 -0.638 -13.743 1.00 21.04 O ATOM 0 H GLY A 10 -3.685 2.109 -10.526 1.00 45.11 H new ATOM 0 HA2 GLY A 10 -4.659 -0.255 -11.774 1.00 74.10 H new ATOM 0 HA3 GLY A 10 -4.808 1.397 -12.340 1.00 74.10 H new ATOM 153 N ASP A 11 -2.114 1.314 -13.139 1.00 50.24 N ATOM 154 CA ASP A 11 -0.963 1.213 -14.036 1.00 20.54 C ATOM 155 C ASP A 11 0.245 0.612 -13.290 1.00 51.21 C ATOM 156 O ASP A 11 0.473 0.901 -12.112 1.00 51.52 O ATOM 157 CB ASP A 11 -0.622 2.607 -14.616 1.00 64.22 C ATOM 158 CG ASP A 11 0.663 2.606 -15.465 1.00 25.45 C ATOM 159 OD1 ASP A 11 0.716 1.894 -16.495 1.00 24.20 O ATOM 160 OD2 ASP A 11 1.635 3.290 -15.099 1.00 13.23 O ATOM 0 H ASP A 11 -2.123 2.172 -12.588 1.00 50.24 H new ATOM 0 HA ASP A 11 -1.212 0.549 -14.864 1.00 20.54 H new ATOM 0 HB2 ASP A 11 -1.455 2.954 -15.227 1.00 64.22 H new ATOM 0 HB3 ASP A 11 -0.510 3.318 -13.797 1.00 64.22 H new ATOM 165 N GLU A 12 1.020 -0.200 -14.020 1.00 73.53 N ATOM 166 CA GLU A 12 2.180 -0.953 -13.505 1.00 44.24 C ATOM 167 C GLU A 12 3.379 -0.022 -13.213 1.00 20.21 C ATOM 168 O GLU A 12 4.092 -0.202 -12.215 1.00 24.24 O ATOM 169 CB GLU A 12 2.561 -2.026 -14.562 1.00 3.23 C ATOM 170 CG GLU A 12 3.815 -2.861 -14.239 1.00 0.31 C ATOM 171 CD GLU A 12 4.162 -3.870 -15.343 1.00 20.31 C ATOM 172 OE1 GLU A 12 4.783 -3.472 -16.352 1.00 14.43 O ATOM 173 OE2 GLU A 12 3.809 -5.060 -15.218 1.00 2.22 O ATOM 0 H GLU A 12 0.856 -0.359 -15.014 1.00 73.53 H new ATOM 0 HA GLU A 12 1.916 -1.427 -12.560 1.00 44.24 H new ATOM 0 HB2 GLU A 12 1.717 -2.704 -14.686 1.00 3.23 H new ATOM 0 HB3 GLU A 12 2.714 -1.529 -15.520 1.00 3.23 H new ATOM 0 HG2 GLU A 12 4.662 -2.192 -14.087 1.00 0.31 H new ATOM 0 HG3 GLU A 12 3.658 -3.395 -13.302 1.00 0.31 H new ATOM 180 N ARG A 13 3.572 0.989 -14.083 1.00 14.34 N ATOM 181 CA ARG A 13 4.738 1.892 -14.012 1.00 11.21 C ATOM 182 C ARG A 13 4.666 2.804 -12.777 1.00 51.32 C ATOM 183 O ARG A 13 5.684 3.019 -12.120 1.00 52.45 O ATOM 184 CB ARG A 13 4.853 2.747 -15.297 1.00 72.51 C ATOM 185 CG ARG A 13 5.062 1.932 -16.590 1.00 63.31 C ATOM 186 CD ARG A 13 5.064 2.820 -17.842 1.00 11.52 C ATOM 187 NE ARG A 13 5.319 2.047 -19.066 1.00 32.42 N ATOM 188 CZ ARG A 13 5.027 2.457 -20.310 1.00 30.15 C ATOM 189 NH1 ARG A 13 4.449 3.642 -20.518 1.00 11.24 N ATOM 190 NH2 ARG A 13 5.332 1.680 -21.346 1.00 50.24 N ATOM 0 H ARG A 13 2.931 1.201 -14.848 1.00 14.34 H new ATOM 0 HA ARG A 13 5.628 1.268 -13.925 1.00 11.21 H new ATOM 0 HB2 ARG A 13 3.948 3.346 -15.402 1.00 72.51 H new ATOM 0 HB3 ARG A 13 5.684 3.443 -15.182 1.00 72.51 H new ATOM 0 HG2 ARG A 13 6.007 1.392 -16.528 1.00 63.31 H new ATOM 0 HG3 ARG A 13 4.273 1.185 -16.678 1.00 63.31 H new ATOM 0 HD2 ARG A 13 4.103 3.328 -17.928 1.00 11.52 H new ATOM 0 HD3 ARG A 13 5.825 3.593 -17.737 1.00 11.52 H new ATOM 0 HE ARG A 13 5.751 1.129 -18.962 1.00 32.42 H new ATOM 0 HH11 ARG A 13 4.225 4.246 -19.727 1.00 11.24 H new ATOM 0 HH12 ARG A 13 4.231 3.944 -21.468 1.00 11.24 H new ATOM 0 HH21 ARG A 13 5.785 0.779 -21.192 1.00 50.24 H new ATOM 0 HH22 ARG A 13 5.113 1.985 -22.294 1.00 50.24 H new ATOM 204 N ILE A 14 3.443 3.298 -12.465 1.00 14.02 N ATOM 205 CA ILE A 14 3.197 4.188 -11.303 1.00 63.53 C ATOM 206 C ILE A 14 3.661 3.515 -9.990 1.00 41.15 C ATOM 207 O ILE A 14 4.245 4.175 -9.127 1.00 0.01 O ATOM 208 CB ILE A 14 1.671 4.616 -11.201 1.00 11.01 C ATOM 209 CG1 ILE A 14 1.234 5.404 -12.480 1.00 23.43 C ATOM 210 CG2 ILE A 14 1.396 5.454 -9.921 1.00 13.23 C ATOM 211 CD1 ILE A 14 -0.211 5.883 -12.482 1.00 34.32 C ATOM 0 H ILE A 14 2.604 3.093 -13.008 1.00 14.02 H new ATOM 0 HA ILE A 14 3.783 5.094 -11.457 1.00 63.53 H new ATOM 0 HB ILE A 14 1.076 3.705 -11.132 1.00 11.01 H new ATOM 0 HG12 ILE A 14 1.887 6.269 -12.596 1.00 23.43 H new ATOM 0 HG13 ILE A 14 1.391 4.768 -13.351 1.00 23.43 H new ATOM 0 HG21 ILE A 14 0.342 5.729 -9.885 1.00 13.23 H new ATOM 0 HG22 ILE A 14 1.647 4.865 -9.039 1.00 13.23 H new ATOM 0 HG23 ILE A 14 2.006 6.357 -9.939 1.00 13.23 H new ATOM 0 HD11 ILE A 14 -0.416 6.417 -13.410 1.00 34.32 H new ATOM 0 HD12 ILE A 14 -0.879 5.025 -12.402 1.00 34.32 H new ATOM 0 HD13 ILE A 14 -0.374 6.550 -11.635 1.00 34.32 H new ATOM 223 N ALA A 15 3.446 2.189 -9.891 1.00 33.31 N ATOM 224 CA ALA A 15 3.896 1.381 -8.738 1.00 11.23 C ATOM 225 C ALA A 15 5.432 1.419 -8.570 1.00 34.31 C ATOM 226 O ALA A 15 5.941 1.507 -7.445 1.00 20.44 O ATOM 227 CB ALA A 15 3.416 -0.071 -8.886 1.00 32.11 C ATOM 0 H ALA A 15 2.957 1.648 -10.605 1.00 33.31 H new ATOM 0 HA ALA A 15 3.456 1.818 -7.841 1.00 11.23 H new ATOM 0 HB1 ALA A 15 3.754 -0.655 -8.030 1.00 32.11 H new ATOM 0 HB2 ALA A 15 2.327 -0.091 -8.932 1.00 32.11 H new ATOM 0 HB3 ALA A 15 3.826 -0.498 -9.801 1.00 32.11 H new ATOM 233 N GLU A 16 6.158 1.375 -9.704 1.00 52.25 N ATOM 234 CA GLU A 16 7.634 1.385 -9.713 1.00 31.22 C ATOM 235 C GLU A 16 8.193 2.799 -9.426 1.00 71.44 C ATOM 236 O GLU A 16 9.252 2.938 -8.799 1.00 60.04 O ATOM 237 CB GLU A 16 8.177 0.859 -11.066 1.00 11.20 C ATOM 238 CG GLU A 16 9.705 0.675 -11.073 1.00 52.14 C ATOM 239 CD GLU A 16 10.316 0.347 -12.440 1.00 34.21 C ATOM 240 OE1 GLU A 16 10.539 1.284 -13.233 1.00 42.20 O ATOM 241 OE2 GLU A 16 10.623 -0.833 -12.709 1.00 11.32 O ATOM 0 H GLU A 16 5.741 1.332 -10.634 1.00 52.25 H new ATOM 0 HA GLU A 16 7.971 0.721 -8.917 1.00 31.22 H new ATOM 0 HB2 GLU A 16 7.701 -0.094 -11.296 1.00 11.20 H new ATOM 0 HB3 GLU A 16 7.897 1.554 -11.858 1.00 11.20 H new ATOM 0 HG2 GLU A 16 10.167 1.588 -10.696 1.00 52.14 H new ATOM 0 HG3 GLU A 16 9.962 -0.123 -10.377 1.00 52.14 H new ATOM 248 N GLU A 17 7.474 3.840 -9.878 1.00 14.14 N ATOM 249 CA GLU A 17 7.891 5.241 -9.661 1.00 13.32 C ATOM 250 C GLU A 17 7.739 5.613 -8.181 1.00 62.11 C ATOM 251 O GLU A 17 8.604 6.270 -7.598 1.00 12.33 O ATOM 252 CB GLU A 17 7.067 6.203 -10.544 1.00 24.34 C ATOM 253 CG GLU A 17 7.060 5.868 -12.050 1.00 52.33 C ATOM 254 CD GLU A 17 8.457 5.811 -12.691 1.00 52.25 C ATOM 255 OE1 GLU A 17 9.073 4.728 -12.713 1.00 62.03 O ATOM 256 OE2 GLU A 17 8.940 6.850 -13.185 1.00 13.44 O ATOM 0 H GLU A 17 6.601 3.741 -10.396 1.00 14.14 H new ATOM 0 HA GLU A 17 8.940 5.335 -9.943 1.00 13.32 H new ATOM 0 HB2 GLU A 17 6.038 6.209 -10.185 1.00 24.34 H new ATOM 0 HB3 GLU A 17 7.456 7.213 -10.414 1.00 24.34 H new ATOM 0 HG2 GLU A 17 6.567 4.907 -12.194 1.00 52.33 H new ATOM 0 HG3 GLU A 17 6.463 6.614 -12.574 1.00 52.33 H new ATOM 263 N LEU A 18 6.634 5.144 -7.579 1.00 42.40 N ATOM 264 CA LEU A 18 6.379 5.300 -6.144 1.00 60.01 C ATOM 265 C LEU A 18 7.370 4.448 -5.325 1.00 44.54 C ATOM 266 O LEU A 18 7.726 4.832 -4.220 1.00 54.12 O ATOM 267 CB LEU A 18 4.912 4.923 -5.814 1.00 21.32 C ATOM 268 CG LEU A 18 3.813 5.846 -6.432 1.00 42.22 C ATOM 269 CD1 LEU A 18 2.400 5.300 -6.137 1.00 40.44 C ATOM 270 CD2 LEU A 18 3.963 7.304 -5.942 1.00 14.21 C ATOM 0 H LEU A 18 5.895 4.647 -8.076 1.00 42.40 H new ATOM 0 HA LEU A 18 6.529 6.345 -5.872 1.00 60.01 H new ATOM 0 HB2 LEU A 18 4.735 3.903 -6.154 1.00 21.32 H new ATOM 0 HB3 LEU A 18 4.792 4.924 -4.731 1.00 21.32 H new ATOM 0 HG LEU A 18 3.951 5.847 -7.513 1.00 42.22 H new ATOM 0 HD11 LEU A 18 1.655 5.962 -6.579 1.00 40.44 H new ATOM 0 HD12 LEU A 18 2.299 4.303 -6.565 1.00 40.44 H new ATOM 0 HD13 LEU A 18 2.247 5.250 -5.059 1.00 40.44 H new ATOM 0 HD21 LEU A 18 3.184 7.920 -6.390 1.00 14.21 H new ATOM 0 HD22 LEU A 18 3.870 7.334 -4.856 1.00 14.21 H new ATOM 0 HD23 LEU A 18 4.941 7.687 -6.234 1.00 14.21 H new ATOM 282 N ARG A 19 7.828 3.308 -5.898 1.00 70.24 N ATOM 283 CA ARG A 19 8.849 2.433 -5.265 1.00 44.31 C ATOM 284 C ARG A 19 10.171 3.188 -5.075 1.00 41.32 C ATOM 285 O ARG A 19 10.779 3.135 -3.996 1.00 3.12 O ATOM 286 CB ARG A 19 9.075 1.134 -6.093 1.00 51.41 C ATOM 287 CG ARG A 19 10.026 0.121 -5.420 1.00 31.53 C ATOM 288 CD ARG A 19 10.162 -1.195 -6.201 1.00 23.12 C ATOM 289 NE ARG A 19 10.888 -1.027 -7.472 1.00 2.41 N ATOM 290 CZ ARG A 19 10.773 -1.823 -8.552 1.00 73.33 C ATOM 291 NH1 ARG A 19 9.937 -2.861 -8.561 1.00 72.32 N ATOM 292 NH2 ARG A 19 11.536 -1.589 -9.612 1.00 75.50 N ATOM 0 H ARG A 19 7.504 2.970 -6.804 1.00 70.24 H new ATOM 0 HA ARG A 19 8.473 2.143 -4.284 1.00 44.31 H new ATOM 0 HB2 ARG A 19 8.112 0.654 -6.267 1.00 51.41 H new ATOM 0 HB3 ARG A 19 9.478 1.403 -7.069 1.00 51.41 H new ATOM 0 HG2 ARG A 19 11.011 0.575 -5.311 1.00 31.53 H new ATOM 0 HG3 ARG A 19 9.663 -0.096 -4.416 1.00 31.53 H new ATOM 0 HD2 ARG A 19 10.682 -1.927 -5.584 1.00 23.12 H new ATOM 0 HD3 ARG A 19 9.169 -1.597 -6.404 1.00 23.12 H new ATOM 0 HE ARG A 19 11.533 -0.240 -7.540 1.00 2.41 H new ATOM 0 HH11 ARG A 19 9.369 -3.065 -7.739 1.00 72.32 H new ATOM 0 HH12 ARG A 19 9.866 -3.451 -9.390 1.00 72.32 H new ATOM 0 HH21 ARG A 19 12.199 -0.814 -9.602 1.00 75.50 H new ATOM 0 HH22 ARG A 19 11.459 -2.184 -10.437 1.00 75.50 H new ATOM 306 N LYS A 20 10.572 3.915 -6.138 1.00 21.25 N ATOM 307 CA LYS A 20 11.733 4.821 -6.116 1.00 44.33 C ATOM 308 C LYS A 20 11.551 5.874 -5.020 1.00 13.11 C ATOM 309 O LYS A 20 12.437 6.086 -4.195 1.00 24.22 O ATOM 310 CB LYS A 20 11.895 5.533 -7.486 1.00 61.10 C ATOM 311 CG LYS A 20 12.102 4.595 -8.689 1.00 11.32 C ATOM 312 CD LYS A 20 12.137 5.356 -10.036 1.00 33.11 C ATOM 313 CE LYS A 20 12.395 4.432 -11.238 1.00 73.42 C ATOM 314 NZ LYS A 20 11.305 3.441 -11.422 1.00 31.33 N ATOM 0 H LYS A 20 10.095 3.888 -7.039 1.00 21.25 H new ATOM 0 HA LYS A 20 12.626 4.230 -5.914 1.00 44.33 H new ATOM 0 HB2 LYS A 20 11.010 6.142 -7.668 1.00 61.10 H new ATOM 0 HB3 LYS A 20 12.744 6.214 -7.426 1.00 61.10 H new ATOM 0 HG2 LYS A 20 13.035 4.046 -8.561 1.00 11.32 H new ATOM 0 HG3 LYS A 20 11.299 3.858 -8.713 1.00 11.32 H new ATOM 0 HD2 LYS A 20 11.189 5.875 -10.179 1.00 33.11 H new ATOM 0 HD3 LYS A 20 12.915 6.119 -9.997 1.00 33.11 H new ATOM 0 HE2 LYS A 20 12.495 5.033 -12.142 1.00 73.42 H new ATOM 0 HE3 LYS A 20 13.341 3.909 -11.097 1.00 73.42 H new ATOM 0 HZ1 LYS A 20 11.666 2.622 -11.952 1.00 31.33 H new ATOM 0 HZ2 LYS A 20 10.961 3.127 -10.492 1.00 31.33 H new ATOM 0 HZ3 LYS A 20 10.524 3.879 -11.951 1.00 31.33 H new ATOM 328 N GLU A 21 10.347 6.466 -5.011 1.00 4.04 N ATOM 329 CA GLU A 21 9.994 7.595 -4.145 1.00 72.44 C ATOM 330 C GLU A 21 10.055 7.230 -2.646 1.00 71.44 C ATOM 331 O GLU A 21 10.466 8.051 -1.816 1.00 31.33 O ATOM 332 CB GLU A 21 8.580 8.103 -4.517 1.00 12.40 C ATOM 333 CG GLU A 21 8.211 9.468 -3.915 1.00 20.45 C ATOM 334 CD GLU A 21 9.168 10.593 -4.355 1.00 70.32 C ATOM 335 OE1 GLU A 21 9.099 11.012 -5.527 1.00 31.53 O ATOM 336 OE2 GLU A 21 9.986 11.063 -3.538 1.00 0.54 O ATOM 0 H GLU A 21 9.582 6.167 -5.615 1.00 4.04 H new ATOM 0 HA GLU A 21 10.730 8.383 -4.307 1.00 72.44 H new ATOM 0 HB2 GLU A 21 8.505 8.167 -5.603 1.00 12.40 H new ATOM 0 HB3 GLU A 21 7.846 7.366 -4.190 1.00 12.40 H new ATOM 0 HG2 GLU A 21 7.194 9.727 -4.209 1.00 20.45 H new ATOM 0 HG3 GLU A 21 8.219 9.395 -2.828 1.00 20.45 H new ATOM 343 N VAL A 22 9.644 5.992 -2.321 1.00 21.42 N ATOM 344 CA VAL A 22 9.679 5.465 -0.947 1.00 54.35 C ATOM 345 C VAL A 22 11.129 5.250 -0.485 1.00 15.44 C ATOM 346 O VAL A 22 11.467 5.544 0.658 1.00 51.44 O ATOM 347 CB VAL A 22 8.878 4.119 -0.823 1.00 34.23 C ATOM 348 CG1 VAL A 22 9.018 3.499 0.584 1.00 64.14 C ATOM 349 CG2 VAL A 22 7.395 4.332 -1.175 1.00 71.11 C ATOM 0 H VAL A 22 9.278 5.329 -3.004 1.00 21.42 H new ATOM 0 HA VAL A 22 9.203 6.206 -0.304 1.00 54.35 H new ATOM 0 HB VAL A 22 9.308 3.417 -1.537 1.00 34.23 H new ATOM 0 HG11 VAL A 22 8.450 2.570 0.630 1.00 64.14 H new ATOM 0 HG12 VAL A 22 10.069 3.293 0.788 1.00 64.14 H new ATOM 0 HG13 VAL A 22 8.634 4.196 1.329 1.00 64.14 H new ATOM 0 HG21 VAL A 22 6.860 3.387 -1.082 1.00 71.11 H new ATOM 0 HG22 VAL A 22 6.961 5.063 -0.493 1.00 71.11 H new ATOM 0 HG23 VAL A 22 7.313 4.697 -2.199 1.00 71.11 H new ATOM 359 N GLN A 23 11.974 4.749 -1.400 1.00 33.50 N ATOM 360 CA GLN A 23 13.410 4.528 -1.128 1.00 54.35 C ATOM 361 C GLN A 23 14.145 5.872 -0.944 1.00 75.51 C ATOM 362 O GLN A 23 15.098 5.958 -0.156 1.00 63.24 O ATOM 363 CB GLN A 23 14.044 3.686 -2.267 1.00 31.24 C ATOM 364 CG GLN A 23 13.465 2.259 -2.376 1.00 64.22 C ATOM 365 CD GLN A 23 13.967 1.473 -3.590 1.00 63.40 C ATOM 366 OE1 GLN A 23 15.085 1.676 -4.066 1.00 60.35 O ATOM 367 NE2 GLN A 23 13.155 0.558 -4.099 1.00 35.15 N ATOM 0 H GLN A 23 11.688 4.486 -2.343 1.00 33.50 H new ATOM 0 HA GLN A 23 13.511 3.971 -0.197 1.00 54.35 H new ATOM 0 HB2 GLN A 23 13.896 4.203 -3.215 1.00 31.24 H new ATOM 0 HB3 GLN A 23 15.120 3.621 -2.104 1.00 31.24 H new ATOM 0 HG2 GLN A 23 13.715 1.707 -1.470 1.00 64.22 H new ATOM 0 HG3 GLN A 23 12.378 2.322 -2.421 1.00 64.22 H new ATOM 0 HE21 GLN A 23 12.234 0.408 -3.687 1.00 35.15 H new ATOM 0 HE22 GLN A 23 13.451 0.004 -4.902 1.00 35.15 H new ATOM 376 N LYS A 24 13.665 6.914 -1.662 1.00 3.34 N ATOM 377 CA LYS A 24 14.156 8.308 -1.526 1.00 33.02 C ATOM 378 C LYS A 24 13.799 8.855 -0.137 1.00 35.23 C ATOM 379 O LYS A 24 14.610 9.514 0.515 1.00 41.13 O ATOM 380 CB LYS A 24 13.510 9.229 -2.608 1.00 14.24 C ATOM 381 CG LYS A 24 13.885 8.907 -4.065 1.00 52.13 C ATOM 382 CD LYS A 24 15.357 9.233 -4.403 1.00 2.12 C ATOM 383 CE LYS A 24 15.689 8.954 -5.879 1.00 75.45 C ATOM 384 NZ LYS A 24 14.847 9.744 -6.820 1.00 40.32 N ATOM 0 H LYS A 24 12.923 6.812 -2.355 1.00 3.34 H new ATOM 0 HA LYS A 24 15.238 8.300 -1.659 1.00 33.02 H new ATOM 0 HB2 LYS A 24 12.426 9.170 -2.509 1.00 14.24 H new ATOM 0 HB3 LYS A 24 13.794 10.260 -2.398 1.00 14.24 H new ATOM 0 HG2 LYS A 24 13.701 7.850 -4.255 1.00 52.13 H new ATOM 0 HG3 LYS A 24 13.233 9.469 -4.734 1.00 52.13 H new ATOM 0 HD2 LYS A 24 15.556 10.281 -4.179 1.00 2.12 H new ATOM 0 HD3 LYS A 24 16.014 8.641 -3.766 1.00 2.12 H new ATOM 0 HE2 LYS A 24 16.739 9.182 -6.060 1.00 75.45 H new ATOM 0 HE3 LYS A 24 15.554 7.892 -6.082 1.00 75.45 H new ATOM 0 HZ1 LYS A 24 15.232 9.662 -7.783 1.00 40.32 H new ATOM 0 HZ2 LYS A 24 13.873 9.380 -6.804 1.00 40.32 H new ATOM 0 HZ3 LYS A 24 14.848 10.743 -6.531 1.00 40.32 H new ATOM 398 N HIS A 25 12.556 8.559 0.272 1.00 64.23 N ATOM 399 CA HIS A 25 11.968 9.004 1.541 1.00 43.12 C ATOM 400 C HIS A 25 12.738 8.392 2.725 1.00 13.44 C ATOM 401 O HIS A 25 13.221 9.111 3.616 1.00 31.10 O ATOM 402 CB HIS A 25 10.469 8.585 1.556 1.00 30.13 C ATOM 403 CG HIS A 25 9.646 9.153 2.679 1.00 65.34 C ATOM 404 ND1 HIS A 25 8.647 10.062 2.429 1.00 73.22 N ATOM 405 CD2 HIS A 25 9.652 8.861 4.006 1.00 1.35 C ATOM 406 CE1 HIS A 25 8.070 10.293 3.586 1.00 40.12 C ATOM 407 NE2 HIS A 25 8.648 9.587 4.567 1.00 71.04 N ATOM 0 H HIS A 25 11.918 7.990 -0.285 1.00 64.23 H new ATOM 0 HA HIS A 25 12.037 10.088 1.637 1.00 43.12 H new ATOM 0 HB2 HIS A 25 10.017 8.885 0.611 1.00 30.13 H new ATOM 0 HB3 HIS A 25 10.415 7.497 1.604 1.00 30.13 H new ATOM 0 HD2 HIS A 25 10.323 8.185 4.515 1.00 1.35 H new ATOM 0 HE1 HIS A 25 7.237 10.965 3.728 1.00 40.12 H new ATOM 0 HE2 HIS A 25 8.384 9.593 5.552 1.00 71.04 H new ATOM 415 N ASP A 26 12.862 7.060 2.687 1.00 32.21 N ATOM 416 CA ASP A 26 13.521 6.267 3.728 1.00 11.25 C ATOM 417 C ASP A 26 13.941 4.902 3.125 1.00 24.42 C ATOM 418 O ASP A 26 13.080 4.147 2.653 1.00 72.30 O ATOM 419 CB ASP A 26 12.572 6.077 4.944 1.00 24.34 C ATOM 420 CG ASP A 26 13.256 5.406 6.154 1.00 0.54 C ATOM 421 OD1 ASP A 26 13.287 4.163 6.228 1.00 5.21 O ATOM 422 OD2 ASP A 26 13.766 6.127 7.045 1.00 61.04 O ATOM 0 H ASP A 26 12.501 6.495 1.919 1.00 32.21 H new ATOM 0 HA ASP A 26 14.410 6.787 4.085 1.00 11.25 H new ATOM 0 HB2 ASP A 26 12.184 7.049 5.248 1.00 24.34 H new ATOM 0 HB3 ASP A 26 11.717 5.474 4.638 1.00 24.34 H new ATOM 427 N PRO A 27 15.271 4.560 3.134 1.00 32.41 N ATOM 428 CA PRO A 27 15.791 3.327 2.480 1.00 11.31 C ATOM 429 C PRO A 27 15.515 2.038 3.290 1.00 11.33 C ATOM 430 O PRO A 27 15.715 0.926 2.779 1.00 35.02 O ATOM 431 CB PRO A 27 17.309 3.622 2.376 1.00 24.15 C ATOM 432 CG PRO A 27 17.609 4.484 3.562 1.00 34.22 C ATOM 433 CD PRO A 27 16.373 5.339 3.777 1.00 73.00 C ATOM 0 HA PRO A 27 15.308 3.129 1.523 1.00 11.31 H new ATOM 0 HB2 PRO A 27 17.894 2.702 2.397 1.00 24.15 H new ATOM 0 HB3 PRO A 27 17.551 4.133 1.444 1.00 24.15 H new ATOM 0 HG2 PRO A 27 17.822 3.877 4.442 1.00 34.22 H new ATOM 0 HG3 PRO A 27 18.487 5.104 3.382 1.00 34.22 H new ATOM 0 HD2 PRO A 27 16.180 5.500 4.838 1.00 73.00 H new ATOM 0 HD3 PRO A 27 16.485 6.322 3.320 1.00 73.00 H new ATOM 441 N ASN A 28 15.070 2.201 4.549 1.00 62.02 N ATOM 442 CA ASN A 28 14.810 1.078 5.481 1.00 44.34 C ATOM 443 C ASN A 28 13.361 0.584 5.333 1.00 44.40 C ATOM 444 O ASN A 28 13.051 -0.558 5.712 1.00 60.21 O ATOM 445 CB ASN A 28 15.097 1.506 6.953 1.00 23.14 C ATOM 446 CG ASN A 28 16.567 1.851 7.264 1.00 43.54 C ATOM 447 OD1 ASN A 28 17.034 1.635 8.380 1.00 4.02 O ATOM 448 ND2 ASN A 28 17.315 2.402 6.312 1.00 62.31 N ATOM 0 H ASN A 28 14.878 3.117 4.954 1.00 62.02 H new ATOM 0 HA ASN A 28 15.482 0.258 5.228 1.00 44.34 H new ATOM 0 HB2 ASN A 28 14.480 2.373 7.189 1.00 23.14 H new ATOM 0 HB3 ASN A 28 14.782 0.700 7.616 1.00 23.14 H new ATOM 0 HD21 ASN A 28 18.286 2.649 6.505 1.00 62.31 H new ATOM 0 HD22 ASN A 28 16.918 2.577 5.389 1.00 62.31 H new ATOM 455 N VAL A 29 12.472 1.458 4.803 1.00 61.13 N ATOM 456 CA VAL A 29 11.089 1.078 4.464 1.00 2.23 C ATOM 457 C VAL A 29 11.121 0.096 3.283 1.00 61.22 C ATOM 458 O VAL A 29 11.575 0.457 2.189 1.00 25.34 O ATOM 459 CB VAL A 29 10.178 2.314 4.103 1.00 23.33 C ATOM 460 CG1 VAL A 29 8.731 1.880 3.765 1.00 25.33 C ATOM 461 CG2 VAL A 29 10.181 3.348 5.239 1.00 55.10 C ATOM 0 H VAL A 29 12.694 2.433 4.602 1.00 61.13 H new ATOM 0 HA VAL A 29 10.650 0.615 5.348 1.00 2.23 H new ATOM 0 HB VAL A 29 10.600 2.778 3.212 1.00 23.33 H new ATOM 0 HG11 VAL A 29 8.135 2.759 3.522 1.00 25.33 H new ATOM 0 HG12 VAL A 29 8.744 1.203 2.911 1.00 25.33 H new ATOM 0 HG13 VAL A 29 8.294 1.371 4.624 1.00 25.33 H new ATOM 0 HG21 VAL A 29 9.546 4.190 4.966 1.00 55.10 H new ATOM 0 HG22 VAL A 29 9.801 2.888 6.151 1.00 55.10 H new ATOM 0 HG23 VAL A 29 11.199 3.701 5.407 1.00 55.10 H new ATOM 471 N LYS A 30 10.662 -1.140 3.530 1.00 52.21 N ATOM 472 CA LYS A 30 10.715 -2.229 2.543 1.00 32.44 C ATOM 473 C LYS A 30 9.686 -1.995 1.433 1.00 63.23 C ATOM 474 O LYS A 30 8.584 -1.516 1.692 1.00 43.32 O ATOM 475 CB LYS A 30 10.498 -3.597 3.256 1.00 20.33 C ATOM 476 CG LYS A 30 11.540 -3.873 4.363 1.00 32.25 C ATOM 477 CD LYS A 30 13.007 -3.911 3.842 1.00 44.12 C ATOM 478 CE LYS A 30 13.480 -5.316 3.423 1.00 71.34 C ATOM 479 NZ LYS A 30 12.750 -5.833 2.235 1.00 3.22 N ATOM 0 H LYS A 30 10.244 -1.413 4.419 1.00 52.21 H new ATOM 0 HA LYS A 30 11.699 -2.247 2.074 1.00 32.44 H new ATOM 0 HB2 LYS A 30 9.499 -3.619 3.691 1.00 20.33 H new ATOM 0 HB3 LYS A 30 10.541 -4.397 2.517 1.00 20.33 H new ATOM 0 HG2 LYS A 30 11.455 -3.103 5.130 1.00 32.25 H new ATOM 0 HG3 LYS A 30 11.308 -4.825 4.840 1.00 32.25 H new ATOM 0 HD2 LYS A 30 13.098 -3.238 2.990 1.00 44.12 H new ATOM 0 HD3 LYS A 30 13.669 -3.531 4.620 1.00 44.12 H new ATOM 0 HE2 LYS A 30 14.547 -5.286 3.205 1.00 71.34 H new ATOM 0 HE3 LYS A 30 13.344 -6.005 4.257 1.00 71.34 H new ATOM 0 HZ1 LYS A 30 12.090 -6.580 2.531 1.00 3.22 H new ATOM 0 HZ2 LYS A 30 12.219 -5.058 1.790 1.00 3.22 H new ATOM 0 HZ3 LYS A 30 13.430 -6.223 1.552 1.00 3.22 H new ATOM 493 N THR A 31 10.075 -2.309 0.199 1.00 24.22 N ATOM 494 CA THR A 31 9.217 -2.119 -0.997 1.00 60.33 C ATOM 495 C THR A 31 9.094 -3.438 -1.772 1.00 72.54 C ATOM 496 O THR A 31 10.104 -3.993 -2.219 1.00 62.53 O ATOM 497 CB THR A 31 9.779 -0.991 -1.932 1.00 52.14 C ATOM 498 OG1 THR A 31 11.169 -1.218 -2.232 1.00 73.12 O ATOM 499 CG2 THR A 31 9.614 0.415 -1.325 1.00 35.31 C ATOM 0 H THR A 31 10.992 -2.703 -0.013 1.00 24.22 H new ATOM 0 HA THR A 31 8.229 -1.809 -0.657 1.00 60.33 H new ATOM 0 HB THR A 31 9.192 -1.034 -2.849 1.00 52.14 H new ATOM 0 HG1 THR A 31 11.316 -2.173 -2.396 1.00 73.12 H new ATOM 0 HG21 THR A 31 10.019 1.158 -2.012 1.00 35.31 H new ATOM 0 HG22 THR A 31 8.556 0.616 -1.155 1.00 35.31 H new ATOM 0 HG23 THR A 31 10.150 0.467 -0.377 1.00 35.31 H new ATOM 507 N VAL A 32 7.855 -3.940 -1.927 1.00 71.02 N ATOM 508 CA VAL A 32 7.575 -5.209 -2.626 1.00 14.22 C ATOM 509 C VAL A 32 6.772 -4.916 -3.909 1.00 30.13 C ATOM 510 O VAL A 32 5.762 -4.225 -3.833 1.00 3.12 O ATOM 511 CB VAL A 32 6.755 -6.210 -1.727 1.00 70.44 C ATOM 512 CG1 VAL A 32 6.713 -7.619 -2.355 1.00 70.13 C ATOM 513 CG2 VAL A 32 7.310 -6.260 -0.293 1.00 12.40 C ATOM 0 H VAL A 32 7.019 -3.477 -1.571 1.00 71.02 H new ATOM 0 HA VAL A 32 8.531 -5.675 -2.864 1.00 14.22 H new ATOM 0 HB VAL A 32 5.732 -5.838 -1.673 1.00 70.44 H new ATOM 0 HG11 VAL A 32 6.140 -8.287 -1.712 1.00 70.13 H new ATOM 0 HG12 VAL A 32 6.240 -7.566 -3.336 1.00 70.13 H new ATOM 0 HG13 VAL A 32 7.729 -8.000 -2.462 1.00 70.13 H new ATOM 0 HG21 VAL A 32 6.722 -6.960 0.301 1.00 12.40 H new ATOM 0 HG22 VAL A 32 8.349 -6.588 -0.316 1.00 12.40 H new ATOM 0 HG23 VAL A 32 7.253 -5.268 0.154 1.00 12.40 H new ATOM 523 N PRO A 33 7.214 -5.402 -5.106 1.00 2.51 N ATOM 524 CA PRO A 33 6.444 -5.248 -6.361 1.00 25.32 C ATOM 525 C PRO A 33 5.202 -6.164 -6.408 1.00 34.54 C ATOM 526 O PRO A 33 5.049 -7.086 -5.591 1.00 42.13 O ATOM 527 CB PRO A 33 7.471 -5.629 -7.475 1.00 34.40 C ATOM 528 CG PRO A 33 8.802 -5.724 -6.781 1.00 35.43 C ATOM 529 CD PRO A 33 8.495 -6.108 -5.356 1.00 63.20 C ATOM 0 HA PRO A 33 6.044 -4.240 -6.473 1.00 25.32 H new ATOM 0 HB2 PRO A 33 7.206 -6.576 -7.946 1.00 34.40 H new ATOM 0 HB3 PRO A 33 7.492 -4.876 -8.263 1.00 34.40 H new ATOM 0 HG2 PRO A 33 9.440 -6.468 -7.258 1.00 35.43 H new ATOM 0 HG3 PRO A 33 9.334 -4.774 -6.824 1.00 35.43 H new ATOM 0 HD2 PRO A 33 8.394 -7.187 -5.239 1.00 63.20 H new ATOM 0 HD3 PRO A 33 9.278 -5.785 -4.670 1.00 63.20 H new ATOM 537 N THR A 34 4.352 -5.905 -7.407 1.00 53.20 N ATOM 538 CA THR A 34 3.134 -6.692 -7.685 1.00 11.04 C ATOM 539 C THR A 34 3.473 -8.156 -8.049 1.00 30.21 C ATOM 540 O THR A 34 2.660 -9.062 -7.858 1.00 23.43 O ATOM 541 CB THR A 34 2.353 -6.034 -8.864 1.00 15.24 C ATOM 542 OG1 THR A 34 3.209 -6.001 -10.016 1.00 12.34 O ATOM 543 CG2 THR A 34 1.890 -4.599 -8.547 1.00 60.44 C ATOM 0 H THR A 34 4.488 -5.132 -8.058 1.00 53.20 H new ATOM 0 HA THR A 34 2.523 -6.701 -6.782 1.00 11.04 H new ATOM 0 HB THR A 34 1.459 -6.632 -9.043 1.00 15.24 H new ATOM 0 HG1 THR A 34 2.731 -5.591 -10.767 1.00 12.34 H new ATOM 0 HG21 THR A 34 1.352 -4.193 -9.404 1.00 60.44 H new ATOM 0 HG22 THR A 34 1.231 -4.613 -7.679 1.00 60.44 H new ATOM 0 HG23 THR A 34 2.758 -3.975 -8.334 1.00 60.44 H new ATOM 551 N LYS A 35 4.686 -8.351 -8.587 1.00 14.21 N ATOM 552 CA LYS A 35 5.193 -9.650 -9.067 1.00 72.21 C ATOM 553 C LYS A 35 5.432 -10.635 -7.907 1.00 43.44 C ATOM 554 O LYS A 35 5.385 -11.855 -8.089 1.00 41.34 O ATOM 555 CB LYS A 35 6.526 -9.413 -9.831 1.00 22.50 C ATOM 556 CG LYS A 35 6.456 -8.332 -10.933 1.00 2.14 C ATOM 557 CD LYS A 35 7.818 -8.118 -11.636 1.00 14.04 C ATOM 558 CE LYS A 35 7.775 -7.017 -12.710 1.00 13.11 C ATOM 559 NZ LYS A 35 6.840 -7.347 -13.815 1.00 55.25 N ATOM 0 H LYS A 35 5.359 -7.594 -8.704 1.00 14.21 H new ATOM 0 HA LYS A 35 4.444 -10.091 -9.725 1.00 72.21 H new ATOM 0 HB2 LYS A 35 7.295 -9.130 -9.112 1.00 22.50 H new ATOM 0 HB3 LYS A 35 6.842 -10.353 -10.283 1.00 22.50 H new ATOM 0 HG2 LYS A 35 5.709 -8.619 -11.673 1.00 2.14 H new ATOM 0 HG3 LYS A 35 6.125 -7.391 -10.494 1.00 2.14 H new ATOM 0 HD2 LYS A 35 8.569 -7.860 -10.889 1.00 14.04 H new ATOM 0 HD3 LYS A 35 8.134 -9.054 -12.096 1.00 14.04 H new ATOM 0 HE2 LYS A 35 7.474 -6.075 -12.251 1.00 13.11 H new ATOM 0 HE3 LYS A 35 8.776 -6.868 -13.115 1.00 13.11 H new ATOM 0 HZ1 LYS A 35 6.907 -6.619 -14.555 1.00 55.25 H new ATOM 0 HZ2 LYS A 35 7.090 -8.273 -14.217 1.00 55.25 H new ATOM 0 HZ3 LYS A 35 5.867 -7.380 -13.449 1.00 55.25 H new ATOM 573 N ASP A 36 5.682 -10.073 -6.718 1.00 42.35 N ATOM 574 CA ASP A 36 6.158 -10.807 -5.536 1.00 5.10 C ATOM 575 C ASP A 36 5.067 -10.853 -4.451 1.00 53.34 C ATOM 576 O ASP A 36 5.331 -10.565 -3.287 1.00 14.32 O ATOM 577 CB ASP A 36 7.458 -10.118 -5.028 1.00 3.41 C ATOM 578 CG ASP A 36 8.609 -10.208 -6.039 1.00 32.44 C ATOM 579 OD1 ASP A 36 8.658 -9.382 -6.975 1.00 72.01 O ATOM 580 OD2 ASP A 36 9.467 -11.112 -5.919 1.00 54.32 O ATOM 0 H ASP A 36 5.557 -9.075 -6.546 1.00 42.35 H new ATOM 0 HA ASP A 36 6.382 -11.842 -5.794 1.00 5.10 H new ATOM 0 HB2 ASP A 36 7.249 -9.070 -4.814 1.00 3.41 H new ATOM 0 HB3 ASP A 36 7.767 -10.580 -4.090 1.00 3.41 H new ATOM 585 N LYS A 37 3.850 -11.276 -4.854 1.00 24.03 N ATOM 586 CA LYS A 37 2.657 -11.363 -3.964 1.00 11.43 C ATOM 587 C LYS A 37 2.895 -12.264 -2.729 1.00 55.42 C ATOM 588 O LYS A 37 2.417 -11.969 -1.625 1.00 13.43 O ATOM 589 CB LYS A 37 1.440 -11.901 -4.752 1.00 64.42 C ATOM 590 CG LYS A 37 1.068 -11.083 -6.001 1.00 63.24 C ATOM 591 CD LYS A 37 -0.193 -11.640 -6.689 1.00 63.31 C ATOM 592 CE LYS A 37 -0.605 -10.851 -7.934 1.00 30.01 C ATOM 593 NZ LYS A 37 -1.948 -11.269 -8.428 1.00 74.23 N ATOM 0 H LYS A 37 3.659 -11.570 -5.812 1.00 24.03 H new ATOM 0 HA LYS A 37 2.463 -10.352 -3.606 1.00 11.43 H new ATOM 0 HB2 LYS A 37 1.646 -12.928 -5.055 1.00 64.42 H new ATOM 0 HB3 LYS A 37 0.578 -11.932 -4.085 1.00 64.42 H new ATOM 0 HG2 LYS A 37 0.900 -10.044 -5.719 1.00 63.24 H new ATOM 0 HG3 LYS A 37 1.901 -11.092 -6.704 1.00 63.24 H new ATOM 0 HD2 LYS A 37 -0.017 -12.679 -6.968 1.00 63.31 H new ATOM 0 HD3 LYS A 37 -1.018 -11.637 -5.977 1.00 63.31 H new ATOM 0 HE2 LYS A 37 -0.617 -9.786 -7.703 1.00 30.01 H new ATOM 0 HE3 LYS A 37 0.135 -10.999 -8.721 1.00 30.01 H new ATOM 0 HZ1 LYS A 37 -2.159 -10.776 -9.319 1.00 74.23 H new ATOM 0 HZ2 LYS A 37 -1.954 -12.296 -8.591 1.00 74.23 H new ATOM 0 HZ3 LYS A 37 -2.669 -11.027 -7.719 1.00 74.23 H new ATOM 607 N GLU A 38 3.615 -13.372 -2.947 1.00 5.23 N ATOM 608 CA GLU A 38 3.942 -14.352 -1.893 1.00 75.40 C ATOM 609 C GLU A 38 5.054 -13.808 -0.978 1.00 31.42 C ATOM 610 O GLU A 38 5.080 -14.094 0.227 1.00 64.41 O ATOM 611 CB GLU A 38 4.347 -15.693 -2.548 1.00 52.21 C ATOM 612 CG GLU A 38 3.281 -16.242 -3.516 1.00 1.10 C ATOM 613 CD GLU A 38 3.713 -17.540 -4.203 1.00 34.30 C ATOM 614 OE1 GLU A 38 4.429 -17.469 -5.220 1.00 22.42 O ATOM 615 OE2 GLU A 38 3.351 -18.637 -3.726 1.00 43.33 O ATOM 0 H GLU A 38 3.991 -13.619 -3.863 1.00 5.23 H new ATOM 0 HA GLU A 38 3.065 -14.525 -1.269 1.00 75.40 H new ATOM 0 HB2 GLU A 38 5.284 -15.558 -3.088 1.00 52.21 H new ATOM 0 HB3 GLU A 38 4.533 -16.430 -1.767 1.00 52.21 H new ATOM 0 HG2 GLU A 38 2.355 -16.418 -2.968 1.00 1.10 H new ATOM 0 HG3 GLU A 38 3.064 -15.490 -4.275 1.00 1.10 H new ATOM 622 N LYS A 39 5.962 -13.002 -1.573 1.00 12.15 N ATOM 623 CA LYS A 39 7.035 -12.303 -0.834 1.00 72.13 C ATOM 624 C LYS A 39 6.503 -11.140 0.010 1.00 44.10 C ATOM 625 O LYS A 39 7.177 -10.745 0.957 1.00 14.33 O ATOM 626 CB LYS A 39 8.146 -11.783 -1.800 1.00 71.42 C ATOM 627 CG LYS A 39 9.182 -12.839 -2.239 1.00 51.31 C ATOM 628 CD LYS A 39 9.944 -13.476 -1.054 1.00 41.54 C ATOM 629 CE LYS A 39 10.699 -12.435 -0.213 1.00 25.43 C ATOM 630 NZ LYS A 39 11.325 -13.041 0.992 1.00 13.43 N ATOM 0 H LYS A 39 5.971 -12.819 -2.576 1.00 12.15 H new ATOM 0 HA LYS A 39 7.466 -13.041 -0.157 1.00 72.13 H new ATOM 0 HB2 LYS A 39 7.669 -11.374 -2.690 1.00 71.42 H new ATOM 0 HB3 LYS A 39 8.672 -10.961 -1.314 1.00 71.42 H new ATOM 0 HG2 LYS A 39 8.675 -13.624 -2.800 1.00 51.31 H new ATOM 0 HG3 LYS A 39 9.899 -12.375 -2.916 1.00 51.31 H new ATOM 0 HD2 LYS A 39 9.239 -14.010 -0.418 1.00 41.54 H new ATOM 0 HD3 LYS A 39 10.651 -14.213 -1.435 1.00 41.54 H new ATOM 0 HE2 LYS A 39 11.469 -11.965 -0.824 1.00 25.43 H new ATOM 0 HE3 LYS A 39 10.010 -11.648 0.093 1.00 25.43 H new ATOM 0 HZ1 LYS A 39 11.399 -12.324 1.742 1.00 13.43 H new ATOM 0 HZ2 LYS A 39 10.739 -13.833 1.326 1.00 13.43 H new ATOM 0 HZ3 LYS A 39 12.275 -13.390 0.751 1.00 13.43 H new ATOM 644 N VAL A 40 5.317 -10.602 -0.343 1.00 11.02 N ATOM 645 CA VAL A 40 4.686 -9.491 0.394 1.00 33.04 C ATOM 646 C VAL A 40 4.566 -9.820 1.892 1.00 21.20 C ATOM 647 O VAL A 40 5.072 -9.078 2.729 1.00 70.44 O ATOM 648 CB VAL A 40 3.258 -9.144 -0.171 1.00 13.22 C ATOM 649 CG1 VAL A 40 2.529 -8.142 0.736 1.00 2.33 C ATOM 650 CG2 VAL A 40 3.335 -8.609 -1.620 1.00 22.24 C ATOM 0 H VAL A 40 4.773 -10.925 -1.143 1.00 11.02 H new ATOM 0 HA VAL A 40 5.333 -8.624 0.260 1.00 33.04 H new ATOM 0 HB VAL A 40 2.684 -10.070 -0.186 1.00 13.22 H new ATOM 0 HG11 VAL A 40 1.546 -7.922 0.319 1.00 2.33 H new ATOM 0 HG12 VAL A 40 2.414 -8.570 1.732 1.00 2.33 H new ATOM 0 HG13 VAL A 40 3.109 -7.222 0.802 1.00 2.33 H new ATOM 0 HG21 VAL A 40 2.331 -8.380 -1.977 1.00 22.24 H new ATOM 0 HG22 VAL A 40 3.943 -7.705 -1.642 1.00 22.24 H new ATOM 0 HG23 VAL A 40 3.785 -9.365 -2.263 1.00 22.24 H new ATOM 660 N LYS A 41 3.936 -10.969 2.179 1.00 71.50 N ATOM 661 CA LYS A 41 3.677 -11.457 3.541 1.00 61.12 C ATOM 662 C LYS A 41 4.993 -11.622 4.337 1.00 64.12 C ATOM 663 O LYS A 41 5.060 -11.296 5.533 1.00 20.34 O ATOM 664 CB LYS A 41 2.910 -12.802 3.440 1.00 32.21 C ATOM 665 CG LYS A 41 2.483 -13.414 4.787 1.00 44.43 C ATOM 666 CD LYS A 41 1.796 -14.789 4.618 1.00 21.02 C ATOM 667 CE LYS A 41 1.352 -15.392 5.956 1.00 23.43 C ATOM 668 NZ LYS A 41 0.721 -16.730 5.790 1.00 12.40 N ATOM 0 H LYS A 41 3.585 -11.597 1.456 1.00 71.50 H new ATOM 0 HA LYS A 41 3.073 -10.729 4.082 1.00 61.12 H new ATOM 0 HB2 LYS A 41 2.020 -12.650 2.830 1.00 32.21 H new ATOM 0 HB3 LYS A 41 3.538 -13.522 2.914 1.00 32.21 H new ATOM 0 HG2 LYS A 41 3.359 -13.524 5.427 1.00 44.43 H new ATOM 0 HG3 LYS A 41 1.802 -12.730 5.294 1.00 44.43 H new ATOM 0 HD2 LYS A 41 0.929 -14.681 3.966 1.00 21.02 H new ATOM 0 HD3 LYS A 41 2.482 -15.476 4.123 1.00 21.02 H new ATOM 0 HE2 LYS A 41 2.214 -15.479 6.617 1.00 23.43 H new ATOM 0 HE3 LYS A 41 0.646 -14.717 6.440 1.00 23.43 H new ATOM 0 HZ1 LYS A 41 0.437 -17.098 6.720 1.00 12.40 H new ATOM 0 HZ2 LYS A 41 -0.118 -16.645 5.181 1.00 12.40 H new ATOM 0 HZ3 LYS A 41 1.402 -17.383 5.353 1.00 12.40 H new ATOM 682 N GLU A 42 6.038 -12.080 3.627 1.00 3.43 N ATOM 683 CA GLU A 42 7.375 -12.312 4.199 1.00 20.54 C ATOM 684 C GLU A 42 8.064 -10.990 4.554 1.00 60.30 C ATOM 685 O GLU A 42 8.671 -10.865 5.618 1.00 60.25 O ATOM 686 CB GLU A 42 8.237 -13.121 3.195 1.00 40.45 C ATOM 687 CG GLU A 42 7.632 -14.481 2.796 1.00 41.20 C ATOM 688 CD GLU A 42 7.351 -15.390 4.003 1.00 12.53 C ATOM 689 OE1 GLU A 42 8.312 -15.980 4.551 1.00 11.50 O ATOM 690 OE2 GLU A 42 6.176 -15.513 4.427 1.00 3.20 O ATOM 0 H GLU A 42 5.978 -12.301 2.633 1.00 3.43 H new ATOM 0 HA GLU A 42 7.263 -12.883 5.120 1.00 20.54 H new ATOM 0 HB2 GLU A 42 8.384 -12.523 2.295 1.00 40.45 H new ATOM 0 HB3 GLU A 42 9.222 -13.288 3.631 1.00 40.45 H new ATOM 0 HG2 GLU A 42 6.703 -14.313 2.250 1.00 41.20 H new ATOM 0 HG3 GLU A 42 8.314 -14.990 2.115 1.00 41.20 H new ATOM 697 N GLU A 43 7.941 -9.993 3.661 1.00 50.41 N ATOM 698 CA GLU A 43 8.581 -8.679 3.842 1.00 20.24 C ATOM 699 C GLU A 43 7.810 -7.811 4.850 1.00 15.23 C ATOM 700 O GLU A 43 8.377 -6.884 5.451 1.00 71.20 O ATOM 701 CB GLU A 43 8.782 -7.980 2.480 1.00 32.23 C ATOM 702 CG GLU A 43 9.631 -8.797 1.475 1.00 12.45 C ATOM 703 CD GLU A 43 10.978 -9.278 2.048 1.00 12.43 C ATOM 704 OE1 GLU A 43 11.933 -8.477 2.085 1.00 45.33 O ATOM 705 OE2 GLU A 43 11.090 -10.457 2.470 1.00 12.30 O ATOM 0 H GLU A 43 7.400 -10.074 2.800 1.00 50.41 H new ATOM 0 HA GLU A 43 9.571 -8.833 4.271 1.00 20.24 H new ATOM 0 HB2 GLU A 43 7.806 -7.780 2.038 1.00 32.23 H new ATOM 0 HB3 GLU A 43 9.261 -7.015 2.645 1.00 32.23 H new ATOM 0 HG2 GLU A 43 9.056 -9.663 1.147 1.00 12.45 H new ATOM 0 HG3 GLU A 43 9.819 -8.187 0.592 1.00 12.45 H new ATOM 712 N ILE A 44 6.508 -8.119 5.006 1.00 32.30 N ATOM 713 CA ILE A 44 5.653 -7.554 6.061 1.00 42.21 C ATOM 714 C ILE A 44 6.167 -8.025 7.430 1.00 12.22 C ATOM 715 O ILE A 44 6.212 -7.241 8.374 1.00 63.44 O ATOM 716 CB ILE A 44 4.133 -7.955 5.857 1.00 41.20 C ATOM 717 CG1 ILE A 44 3.502 -7.137 4.683 1.00 34.12 C ATOM 718 CG2 ILE A 44 3.293 -7.806 7.151 1.00 72.15 C ATOM 719 CD1 ILE A 44 2.032 -7.413 4.444 1.00 40.24 C ATOM 0 H ILE A 44 6.018 -8.773 4.396 1.00 32.30 H new ATOM 0 HA ILE A 44 5.703 -6.466 6.009 1.00 42.21 H new ATOM 0 HB ILE A 44 4.117 -9.014 5.599 1.00 41.20 H new ATOM 0 HG12 ILE A 44 3.631 -6.074 4.887 1.00 34.12 H new ATOM 0 HG13 ILE A 44 4.053 -7.355 3.768 1.00 34.12 H new ATOM 0 HG21 ILE A 44 2.261 -8.095 6.950 1.00 72.15 H new ATOM 0 HG22 ILE A 44 3.705 -8.449 7.928 1.00 72.15 H new ATOM 0 HG23 ILE A 44 3.321 -6.769 7.486 1.00 72.15 H new ATOM 0 HD11 ILE A 44 1.678 -6.803 3.613 1.00 40.24 H new ATOM 0 HD12 ILE A 44 1.894 -8.468 4.205 1.00 40.24 H new ATOM 0 HD13 ILE A 44 1.465 -7.167 5.342 1.00 40.24 H new ATOM 731 N GLU A 45 6.582 -9.307 7.495 1.00 21.23 N ATOM 732 CA GLU A 45 7.178 -9.903 8.700 1.00 55.20 C ATOM 733 C GLU A 45 8.499 -9.170 9.034 1.00 24.04 C ATOM 734 O GLU A 45 8.793 -8.930 10.205 1.00 34.01 O ATOM 735 CB GLU A 45 7.405 -11.435 8.481 1.00 50.40 C ATOM 736 CG GLU A 45 7.405 -12.314 9.757 1.00 42.02 C ATOM 737 CD GLU A 45 8.536 -12.019 10.764 1.00 65.23 C ATOM 738 OE1 GLU A 45 9.681 -12.455 10.534 1.00 10.42 O ATOM 739 OE2 GLU A 45 8.282 -11.354 11.792 1.00 33.23 O ATOM 0 H GLU A 45 6.512 -9.955 6.711 1.00 21.23 H new ATOM 0 HA GLU A 45 6.502 -9.789 9.547 1.00 55.20 H new ATOM 0 HB2 GLU A 45 6.629 -11.804 7.810 1.00 50.40 H new ATOM 0 HB3 GLU A 45 8.359 -11.571 7.971 1.00 50.40 H new ATOM 0 HG2 GLU A 45 6.448 -12.189 10.264 1.00 42.02 H new ATOM 0 HG3 GLU A 45 7.472 -13.360 9.457 1.00 42.02 H new ATOM 746 N LYS A 46 9.261 -8.778 7.984 1.00 70.22 N ATOM 747 CA LYS A 46 10.544 -8.060 8.162 1.00 34.25 C ATOM 748 C LYS A 46 10.310 -6.695 8.821 1.00 64.13 C ATOM 749 O LYS A 46 10.912 -6.398 9.846 1.00 1.21 O ATOM 750 CB LYS A 46 11.316 -7.876 6.820 1.00 42.30 C ATOM 751 CG LYS A 46 11.438 -9.144 5.954 1.00 60.55 C ATOM 752 CD LYS A 46 11.867 -10.409 6.726 1.00 33.34 C ATOM 753 CE LYS A 46 11.899 -11.641 5.816 1.00 4.41 C ATOM 754 NZ LYS A 46 12.267 -12.867 6.562 1.00 53.42 N ATOM 0 H LYS A 46 9.010 -8.947 7.010 1.00 70.22 H new ATOM 0 HA LYS A 46 11.162 -8.678 8.813 1.00 34.25 H new ATOM 0 HB2 LYS A 46 10.817 -7.103 6.236 1.00 42.30 H new ATOM 0 HB3 LYS A 46 12.318 -7.510 7.043 1.00 42.30 H new ATOM 0 HG2 LYS A 46 10.478 -9.335 5.475 1.00 60.55 H new ATOM 0 HG3 LYS A 46 12.160 -8.957 5.159 1.00 60.55 H new ATOM 0 HD2 LYS A 46 12.853 -10.253 7.162 1.00 33.34 H new ATOM 0 HD3 LYS A 46 11.177 -10.584 7.552 1.00 33.34 H new ATOM 0 HE2 LYS A 46 10.921 -11.777 5.354 1.00 4.41 H new ATOM 0 HE3 LYS A 46 12.614 -11.478 5.009 1.00 4.41 H new ATOM 0 HZ1 LYS A 46 12.278 -13.679 5.912 1.00 53.42 H new ATOM 0 HZ2 LYS A 46 13.211 -12.747 6.982 1.00 53.42 H new ATOM 0 HZ3 LYS A 46 11.571 -13.037 7.316 1.00 53.42 H new ATOM 768 N ALA A 47 9.394 -5.895 8.233 1.00 4.54 N ATOM 769 CA ALA A 47 9.055 -4.543 8.741 1.00 24.45 C ATOM 770 C ALA A 47 8.429 -4.618 10.149 1.00 21.13 C ATOM 771 O ALA A 47 8.719 -3.794 11.014 1.00 72.12 O ATOM 772 CB ALA A 47 8.111 -3.828 7.762 1.00 24.32 C ATOM 0 H ALA A 47 8.871 -6.163 7.399 1.00 4.54 H new ATOM 0 HA ALA A 47 9.977 -3.967 8.819 1.00 24.45 H new ATOM 0 HB1 ALA A 47 7.870 -2.837 8.147 1.00 24.32 H new ATOM 0 HB2 ALA A 47 8.598 -3.732 6.792 1.00 24.32 H new ATOM 0 HB3 ALA A 47 7.194 -4.407 7.652 1.00 24.32 H new ATOM 778 N ARG A 48 7.592 -5.644 10.350 1.00 44.54 N ATOM 779 CA ARG A 48 6.978 -5.986 11.655 1.00 72.43 C ATOM 780 C ARG A 48 8.052 -6.193 12.743 1.00 64.04 C ATOM 781 O ARG A 48 7.946 -5.658 13.852 1.00 11.52 O ATOM 782 CB ARG A 48 6.135 -7.279 11.463 1.00 15.12 C ATOM 783 CG ARG A 48 5.579 -7.950 12.740 1.00 31.24 C ATOM 784 CD ARG A 48 4.907 -9.302 12.424 1.00 30.13 C ATOM 785 NE ARG A 48 4.512 -10.049 13.634 1.00 10.14 N ATOM 786 CZ ARG A 48 5.005 -11.248 14.004 1.00 73.55 C ATOM 787 NH1 ARG A 48 5.930 -11.859 13.275 1.00 1.14 N ATOM 788 NH2 ARG A 48 4.563 -11.835 15.109 1.00 3.05 N ATOM 0 H ARG A 48 7.312 -6.276 9.600 1.00 44.54 H new ATOM 0 HA ARG A 48 6.343 -5.165 11.989 1.00 72.43 H new ATOM 0 HB2 ARG A 48 5.294 -7.042 10.811 1.00 15.12 H new ATOM 0 HB3 ARG A 48 6.750 -8.009 10.937 1.00 15.12 H new ATOM 0 HG2 ARG A 48 6.389 -8.103 13.453 1.00 31.24 H new ATOM 0 HG3 ARG A 48 4.857 -7.286 13.216 1.00 31.24 H new ATOM 0 HD2 ARG A 48 4.025 -9.127 11.808 1.00 30.13 H new ATOM 0 HD3 ARG A 48 5.591 -9.912 11.835 1.00 30.13 H new ATOM 0 HE ARG A 48 3.809 -9.624 14.239 1.00 10.14 H new ATOM 0 HH11 ARG A 48 6.278 -11.422 12.422 1.00 1.14 H new ATOM 0 HH12 ARG A 48 6.293 -12.766 13.568 1.00 1.14 H new ATOM 0 HH21 ARG A 48 3.850 -11.379 15.679 1.00 3.05 H new ATOM 0 HH22 ARG A 48 4.936 -12.742 15.389 1.00 3.05 H new ATOM 802 N LYS A 49 9.100 -6.940 12.367 1.00 10.51 N ATOM 803 CA LYS A 49 10.211 -7.324 13.260 1.00 41.41 C ATOM 804 C LYS A 49 11.159 -6.121 13.494 1.00 51.24 C ATOM 805 O LYS A 49 11.673 -5.940 14.597 1.00 51.43 O ATOM 806 CB LYS A 49 10.934 -8.561 12.629 1.00 30.12 C ATOM 807 CG LYS A 49 11.982 -9.298 13.517 1.00 4.24 C ATOM 808 CD LYS A 49 13.414 -8.731 13.397 1.00 74.12 C ATOM 809 CE LYS A 49 14.420 -9.472 14.292 1.00 20.33 C ATOM 810 NZ LYS A 49 14.477 -10.924 13.980 1.00 23.31 N ATOM 0 H LYS A 49 9.204 -7.302 11.419 1.00 10.51 H new ATOM 0 HA LYS A 49 9.842 -7.607 14.246 1.00 41.41 H new ATOM 0 HB2 LYS A 49 10.173 -9.283 12.333 1.00 30.12 H new ATOM 0 HB3 LYS A 49 11.434 -8.233 11.718 1.00 30.12 H new ATOM 0 HG2 LYS A 49 11.665 -9.241 14.558 1.00 4.24 H new ATOM 0 HG3 LYS A 49 11.996 -10.353 13.245 1.00 4.24 H new ATOM 0 HD2 LYS A 49 13.741 -8.795 12.359 1.00 74.12 H new ATOM 0 HD3 LYS A 49 13.406 -7.674 13.664 1.00 74.12 H new ATOM 0 HE2 LYS A 49 15.410 -9.034 14.164 1.00 20.33 H new ATOM 0 HE3 LYS A 49 14.144 -9.336 15.338 1.00 20.33 H new ATOM 0 HZ1 LYS A 49 15.280 -11.355 14.481 1.00 23.31 H new ATOM 0 HZ2 LYS A 49 13.593 -11.380 14.285 1.00 23.31 H new ATOM 0 HZ3 LYS A 49 14.598 -11.054 12.955 1.00 23.31 H new ATOM 824 N GLN A 50 11.336 -5.282 12.455 1.00 52.33 N ATOM 825 CA GLN A 50 12.215 -4.084 12.502 1.00 73.15 C ATOM 826 C GLN A 50 11.529 -2.892 13.193 1.00 51.23 C ATOM 827 O GLN A 50 12.203 -1.911 13.522 1.00 4.34 O ATOM 828 CB GLN A 50 12.633 -3.658 11.058 1.00 54.55 C ATOM 829 CG GLN A 50 13.488 -4.676 10.279 1.00 73.30 C ATOM 830 CD GLN A 50 14.833 -5.003 10.929 1.00 52.01 C ATOM 831 OE1 GLN A 50 15.835 -4.339 10.670 1.00 20.33 O ATOM 832 NE2 GLN A 50 14.878 -6.048 11.740 1.00 44.30 N ATOM 0 H GLN A 50 10.875 -5.411 11.554 1.00 52.33 H new ATOM 0 HA GLN A 50 13.096 -4.360 13.082 1.00 73.15 H new ATOM 0 HB2 GLN A 50 11.729 -3.456 10.483 1.00 54.55 H new ATOM 0 HB3 GLN A 50 13.186 -2.721 11.122 1.00 54.55 H new ATOM 0 HG2 GLN A 50 12.919 -5.599 10.167 1.00 73.30 H new ATOM 0 HG3 GLN A 50 13.668 -4.289 9.276 1.00 73.30 H new ATOM 0 HE21 GLN A 50 14.029 -6.579 11.935 1.00 44.30 H new ATOM 0 HE22 GLN A 50 15.761 -6.322 12.170 1.00 44.30 H new ATOM 841 N GLY A 51 10.193 -2.970 13.394 1.00 3.23 N ATOM 842 CA GLY A 51 9.410 -1.834 13.906 1.00 2.45 C ATOM 843 C GLY A 51 9.372 -0.671 12.913 1.00 43.41 C ATOM 844 O GLY A 51 9.412 0.506 13.296 1.00 4.02 O ATOM 0 H GLY A 51 9.641 -3.807 13.208 1.00 3.23 H new ATOM 0 HA2 GLY A 51 8.393 -2.162 14.120 1.00 2.45 H new ATOM 0 HA3 GLY A 51 9.839 -1.493 14.848 1.00 2.45 H new ATOM 848 N ARG A 52 9.323 -1.033 11.627 1.00 31.40 N ATOM 849 CA ARG A 52 9.348 -0.108 10.483 1.00 55.03 C ATOM 850 C ARG A 52 8.044 -0.221 9.666 1.00 74.14 C ATOM 851 O ARG A 52 7.313 -1.216 9.791 1.00 71.11 O ATOM 852 CB ARG A 52 10.579 -0.444 9.574 1.00 13.25 C ATOM 853 CG ARG A 52 11.932 0.065 10.118 1.00 24.34 C ATOM 854 CD ARG A 52 12.010 1.605 10.133 1.00 0.31 C ATOM 855 NE ARG A 52 13.288 2.085 10.670 1.00 72.21 N ATOM 856 CZ ARG A 52 14.015 3.092 10.155 1.00 45.25 C ATOM 857 NH1 ARG A 52 13.604 3.753 9.076 1.00 33.23 N ATOM 858 NH2 ARG A 52 15.157 3.423 10.722 1.00 73.24 N ATOM 0 H ARG A 52 9.263 -2.010 11.341 1.00 31.40 H new ATOM 0 HA ARG A 52 9.433 0.914 10.853 1.00 55.03 H new ATOM 0 HB2 ARG A 52 10.636 -1.525 9.446 1.00 13.25 H new ATOM 0 HB3 ARG A 52 10.414 -0.014 8.586 1.00 13.25 H new ATOM 0 HG2 ARG A 52 12.082 -0.315 11.129 1.00 24.34 H new ATOM 0 HG3 ARG A 52 12.741 -0.332 9.505 1.00 24.34 H new ATOM 0 HD2 ARG A 52 11.877 1.985 9.120 1.00 0.31 H new ATOM 0 HD3 ARG A 52 11.192 2.004 10.733 1.00 0.31 H new ATOM 0 HE ARG A 52 13.654 1.618 11.500 1.00 72.21 H new ATOM 0 HH11 ARG A 52 12.725 3.498 8.626 1.00 33.23 H new ATOM 0 HH12 ARG A 52 14.168 4.514 8.699 1.00 33.23 H new ATOM 0 HH21 ARG A 52 15.483 2.917 11.545 1.00 73.24 H new ATOM 0 HH22 ARG A 52 15.715 4.186 10.338 1.00 73.24 H new ATOM 872 N PRO A 53 7.703 0.825 8.854 1.00 12.15 N ATOM 873 CA PRO A 53 6.689 0.692 7.798 1.00 2.34 C ATOM 874 C PRO A 53 7.223 -0.101 6.576 1.00 74.41 C ATOM 875 O PRO A 53 8.440 -0.212 6.364 1.00 22.42 O ATOM 876 CB PRO A 53 6.339 2.158 7.440 1.00 61.12 C ATOM 877 CG PRO A 53 7.555 2.955 7.802 1.00 13.31 C ATOM 878 CD PRO A 53 8.220 2.224 8.953 1.00 24.12 C ATOM 0 HA PRO A 53 5.817 0.124 8.122 1.00 2.34 H new ATOM 0 HB2 PRO A 53 6.104 2.259 6.380 1.00 61.12 H new ATOM 0 HB3 PRO A 53 5.465 2.500 7.994 1.00 61.12 H new ATOM 0 HG2 PRO A 53 8.232 3.038 6.952 1.00 13.31 H new ATOM 0 HG3 PRO A 53 7.282 3.970 8.092 1.00 13.31 H new ATOM 0 HD2 PRO A 53 9.306 2.253 8.867 1.00 24.12 H new ATOM 0 HD3 PRO A 53 7.964 2.675 9.911 1.00 24.12 H new ATOM 886 N ILE A 54 6.294 -0.669 5.803 1.00 14.53 N ATOM 887 CA ILE A 54 6.572 -1.325 4.514 1.00 3.54 C ATOM 888 C ILE A 54 5.547 -0.808 3.499 1.00 54.53 C ATOM 889 O ILE A 54 4.367 -0.711 3.818 1.00 54.15 O ATOM 890 CB ILE A 54 6.490 -2.904 4.607 1.00 23.34 C ATOM 891 CG1 ILE A 54 6.592 -3.555 3.190 1.00 44.44 C ATOM 892 CG2 ILE A 54 5.213 -3.374 5.347 1.00 15.32 C ATOM 893 CD1 ILE A 54 6.480 -5.061 3.159 1.00 32.42 C ATOM 0 H ILE A 54 5.306 -0.688 6.057 1.00 14.53 H new ATOM 0 HA ILE A 54 7.591 -1.085 4.210 1.00 3.54 H new ATOM 0 HB ILE A 54 7.344 -3.238 5.196 1.00 23.34 H new ATOM 0 HG12 ILE A 54 5.808 -3.136 2.559 1.00 44.44 H new ATOM 0 HG13 ILE A 54 7.545 -3.269 2.745 1.00 44.44 H new ATOM 0 HG21 ILE A 54 5.196 -4.463 5.388 1.00 15.32 H new ATOM 0 HG22 ILE A 54 5.211 -2.972 6.360 1.00 15.32 H new ATOM 0 HG23 ILE A 54 4.332 -3.018 4.814 1.00 15.32 H new ATOM 0 HD11 ILE A 54 6.563 -5.411 2.130 1.00 32.42 H new ATOM 0 HD12 ILE A 54 7.280 -5.498 3.757 1.00 32.42 H new ATOM 0 HD13 ILE A 54 5.516 -5.363 3.568 1.00 32.42 H new ATOM 905 N VAL A 55 6.001 -0.439 2.296 1.00 63.33 N ATOM 906 CA VAL A 55 5.108 -0.044 1.204 1.00 3.14 C ATOM 907 C VAL A 55 5.069 -1.155 0.143 1.00 1.23 C ATOM 908 O VAL A 55 6.036 -1.383 -0.591 1.00 60.14 O ATOM 909 CB VAL A 55 5.538 1.325 0.573 1.00 14.35 C ATOM 910 CG1 VAL A 55 4.555 1.765 -0.535 1.00 30.25 C ATOM 911 CG2 VAL A 55 5.656 2.402 1.673 1.00 25.32 C ATOM 0 H VAL A 55 6.991 -0.406 2.054 1.00 63.33 H new ATOM 0 HA VAL A 55 4.106 0.095 1.610 1.00 3.14 H new ATOM 0 HB VAL A 55 6.515 1.197 0.107 1.00 14.35 H new ATOM 0 HG11 VAL A 55 4.880 2.718 -0.953 1.00 30.25 H new ATOM 0 HG12 VAL A 55 4.534 1.012 -1.323 1.00 30.25 H new ATOM 0 HG13 VAL A 55 3.557 1.876 -0.112 1.00 30.25 H new ATOM 0 HG21 VAL A 55 5.955 3.349 1.224 1.00 25.32 H new ATOM 0 HG22 VAL A 55 4.693 2.523 2.168 1.00 25.32 H new ATOM 0 HG23 VAL A 55 6.404 2.095 2.404 1.00 25.32 H new ATOM 921 N VAL A 56 3.945 -1.863 0.130 1.00 31.32 N ATOM 922 CA VAL A 56 3.640 -2.939 -0.812 1.00 4.41 C ATOM 923 C VAL A 56 2.928 -2.362 -2.038 1.00 42.43 C ATOM 924 O VAL A 56 2.102 -1.456 -1.906 1.00 54.42 O ATOM 925 CB VAL A 56 2.713 -4.004 -0.132 1.00 30.35 C ATOM 926 CG1 VAL A 56 2.326 -5.140 -1.104 1.00 62.21 C ATOM 927 CG2 VAL A 56 3.372 -4.554 1.152 1.00 42.45 C ATOM 0 H VAL A 56 3.192 -1.699 0.799 1.00 31.32 H new ATOM 0 HA VAL A 56 4.572 -3.415 -1.117 1.00 4.41 H new ATOM 0 HB VAL A 56 1.785 -3.506 0.148 1.00 30.35 H new ATOM 0 HG11 VAL A 56 1.683 -5.855 -0.590 1.00 62.21 H new ATOM 0 HG12 VAL A 56 1.794 -4.722 -1.958 1.00 62.21 H new ATOM 0 HG13 VAL A 56 3.227 -5.646 -1.450 1.00 62.21 H new ATOM 0 HG21 VAL A 56 2.714 -5.292 1.611 1.00 42.45 H new ATOM 0 HG22 VAL A 56 4.324 -5.022 0.901 1.00 42.45 H new ATOM 0 HG23 VAL A 56 3.544 -3.736 1.852 1.00 42.45 H new ATOM 937 N PHE A 57 3.264 -2.881 -3.219 1.00 65.42 N ATOM 938 CA PHE A 57 2.633 -2.494 -4.480 1.00 5.34 C ATOM 939 C PHE A 57 1.807 -3.675 -4.999 1.00 72.01 C ATOM 940 O PHE A 57 2.340 -4.747 -5.278 1.00 13.34 O ATOM 941 CB PHE A 57 3.722 -2.029 -5.478 1.00 60.11 C ATOM 942 CG PHE A 57 4.486 -0.818 -4.937 1.00 12.31 C ATOM 943 CD1 PHE A 57 3.906 0.452 -4.964 1.00 5.44 C ATOM 944 CD2 PHE A 57 5.745 -0.955 -4.340 1.00 61.22 C ATOM 945 CE1 PHE A 57 4.555 1.541 -4.419 1.00 4.24 C ATOM 946 CE2 PHE A 57 6.394 0.139 -3.804 1.00 34.52 C ATOM 947 CZ PHE A 57 5.799 1.386 -3.840 1.00 73.23 C ATOM 0 H PHE A 57 3.990 -3.589 -3.328 1.00 65.42 H new ATOM 0 HA PHE A 57 1.953 -1.654 -4.342 1.00 5.34 H new ATOM 0 HB2 PHE A 57 4.418 -2.846 -5.668 1.00 60.11 H new ATOM 0 HB3 PHE A 57 3.260 -1.775 -6.432 1.00 60.11 H new ATOM 0 HD1 PHE A 57 2.935 0.584 -5.418 1.00 5.44 H new ATOM 0 HD2 PHE A 57 6.213 -1.927 -4.298 1.00 61.22 H new ATOM 0 HE1 PHE A 57 4.090 2.515 -4.445 1.00 4.24 H new ATOM 0 HE2 PHE A 57 7.369 0.020 -3.355 1.00 34.52 H new ATOM 0 HZ PHE A 57 6.307 2.239 -3.415 1.00 73.23 H new ATOM 957 N VAL A 58 0.493 -3.471 -5.015 1.00 24.02 N ATOM 958 CA VAL A 58 -0.519 -4.405 -5.545 1.00 45.20 C ATOM 959 C VAL A 58 -1.195 -3.702 -6.740 1.00 41.03 C ATOM 960 O VAL A 58 -1.172 -2.475 -6.808 1.00 41.52 O ATOM 961 CB VAL A 58 -1.583 -4.769 -4.424 1.00 0.02 C ATOM 962 CG1 VAL A 58 -2.671 -5.742 -4.936 1.00 11.04 C ATOM 963 CG2 VAL A 58 -0.897 -5.344 -3.158 1.00 50.24 C ATOM 0 H VAL A 58 0.077 -2.616 -4.645 1.00 24.02 H new ATOM 0 HA VAL A 58 -0.059 -5.341 -5.861 1.00 45.20 H new ATOM 0 HB VAL A 58 -2.079 -3.836 -4.157 1.00 0.02 H new ATOM 0 HG11 VAL A 58 -3.373 -5.959 -4.131 1.00 11.04 H new ATOM 0 HG12 VAL A 58 -3.204 -5.285 -5.770 1.00 11.04 H new ATOM 0 HG13 VAL A 58 -2.203 -6.669 -5.269 1.00 11.04 H new ATOM 0 HG21 VAL A 58 -1.654 -5.583 -2.411 1.00 50.24 H new ATOM 0 HG22 VAL A 58 -0.348 -6.249 -3.420 1.00 50.24 H new ATOM 0 HG23 VAL A 58 -0.206 -4.606 -2.752 1.00 50.24 H new ATOM 973 N ARG A 59 -1.714 -4.445 -7.733 1.00 21.04 N ATOM 974 CA ARG A 59 -2.503 -3.832 -8.824 1.00 60.21 C ATOM 975 C ARG A 59 -3.924 -3.515 -8.300 1.00 40.42 C ATOM 976 O ARG A 59 -4.421 -4.214 -7.407 1.00 33.14 O ATOM 977 CB ARG A 59 -2.556 -4.759 -10.075 1.00 23.53 C ATOM 978 CG ARG A 59 -3.216 -4.109 -11.319 1.00 25.35 C ATOM 979 CD ARG A 59 -3.221 -5.024 -12.562 1.00 12.43 C ATOM 980 NE ARG A 59 -3.803 -4.344 -13.736 1.00 44.45 N ATOM 981 CZ ARG A 59 -4.171 -4.945 -14.889 1.00 72.32 C ATOM 982 NH1 ARG A 59 -4.038 -6.260 -15.060 1.00 54.24 N ATOM 983 NH2 ARG A 59 -4.661 -4.212 -15.883 1.00 73.52 N ATOM 0 H ARG A 59 -1.606 -5.457 -7.806 1.00 21.04 H new ATOM 0 HA ARG A 59 -2.021 -2.906 -9.138 1.00 60.21 H new ATOM 0 HB2 ARG A 59 -1.541 -5.062 -10.332 1.00 23.53 H new ATOM 0 HB3 ARG A 59 -3.104 -5.666 -9.819 1.00 23.53 H new ATOM 0 HG2 ARG A 59 -4.243 -3.836 -11.075 1.00 25.35 H new ATOM 0 HG3 ARG A 59 -2.689 -3.186 -11.559 1.00 25.35 H new ATOM 0 HD2 ARG A 59 -2.201 -5.335 -12.790 1.00 12.43 H new ATOM 0 HD3 ARG A 59 -3.789 -5.929 -12.346 1.00 12.43 H new ATOM 0 HE ARG A 59 -3.939 -3.335 -13.671 1.00 44.45 H new ATOM 0 HH11 ARG A 59 -3.651 -6.835 -14.312 1.00 54.24 H new ATOM 0 HH12 ARG A 59 -4.323 -6.691 -15.939 1.00 54.24 H new ATOM 0 HH21 ARG A 59 -4.757 -3.203 -15.773 1.00 73.52 H new ATOM 0 HH22 ARG A 59 -4.941 -4.659 -16.756 1.00 73.52 H new ATOM 997 N GLY A 60 -4.554 -2.452 -8.852 1.00 24.41 N ATOM 998 CA GLY A 60 -5.925 -2.066 -8.498 1.00 11.21 C ATOM 999 C GLY A 60 -6.921 -3.200 -8.726 1.00 11.00 C ATOM 1000 O GLY A 60 -7.781 -3.455 -7.880 1.00 33.22 O ATOM 0 H GLY A 60 -4.123 -1.846 -9.550 1.00 24.41 H new ATOM 0 HA2 GLY A 60 -5.956 -1.762 -7.452 1.00 11.21 H new ATOM 0 HA3 GLY A 60 -6.221 -1.200 -9.090 1.00 11.21 H new ATOM 1004 N GLY A 61 -6.755 -3.913 -9.861 1.00 73.21 N ATOM 1005 CA GLY A 61 -7.537 -5.116 -10.176 1.00 4.30 C ATOM 1006 C GLY A 61 -6.887 -6.381 -9.615 1.00 43.42 C ATOM 1007 O GLY A 61 -6.603 -7.324 -10.361 1.00 73.13 O ATOM 0 H GLY A 61 -6.075 -3.667 -10.580 1.00 73.21 H new ATOM 0 HA2 GLY A 61 -8.542 -5.013 -9.768 1.00 4.30 H new ATOM 0 HA3 GLY A 61 -7.640 -5.209 -11.257 1.00 4.30 H new ATOM 1011 N ASP A 62 -6.621 -6.371 -8.295 1.00 22.43 N ATOM 1012 CA ASP A 62 -6.035 -7.512 -7.554 1.00 15.13 C ATOM 1013 C ASP A 62 -6.449 -7.402 -6.073 1.00 12.54 C ATOM 1014 O ASP A 62 -5.675 -7.626 -5.127 1.00 12.33 O ATOM 1015 CB ASP A 62 -4.498 -7.538 -7.744 1.00 55.32 C ATOM 1016 CG ASP A 62 -3.817 -8.808 -7.188 1.00 54.45 C ATOM 1017 OD1 ASP A 62 -4.334 -9.926 -7.409 1.00 34.31 O ATOM 1018 OD2 ASP A 62 -2.738 -8.701 -6.572 1.00 30.12 O ATOM 0 H ASP A 62 -6.808 -5.562 -7.703 1.00 22.43 H new ATOM 0 HA ASP A 62 -6.412 -8.459 -7.942 1.00 15.13 H new ATOM 0 HB2 ASP A 62 -4.272 -7.453 -8.807 1.00 55.32 H new ATOM 0 HB3 ASP A 62 -4.067 -6.664 -7.256 1.00 55.32 H new ATOM 1023 N ASP A 63 -7.743 -7.105 -5.916 1.00 55.00 N ATOM 1024 CA ASP A 63 -8.418 -6.874 -4.620 1.00 4.14 C ATOM 1025 C ASP A 63 -8.404 -8.132 -3.738 1.00 44.00 C ATOM 1026 O ASP A 63 -8.480 -8.051 -2.507 1.00 61.51 O ATOM 1027 CB ASP A 63 -9.886 -6.438 -4.883 1.00 1.31 C ATOM 1028 CG ASP A 63 -9.995 -5.274 -5.886 1.00 22.12 C ATOM 1029 OD1 ASP A 63 -10.013 -5.532 -7.111 1.00 73.40 O ATOM 1030 OD2 ASP A 63 -10.052 -4.104 -5.454 1.00 23.33 O ATOM 0 H ASP A 63 -8.377 -7.014 -6.710 1.00 55.00 H new ATOM 0 HA ASP A 63 -7.877 -6.091 -4.088 1.00 4.14 H new ATOM 0 HB2 ASP A 63 -10.451 -7.290 -5.261 1.00 1.31 H new ATOM 0 HB3 ASP A 63 -10.347 -6.143 -3.940 1.00 1.31 H new ATOM 1035 N GLU A 64 -8.318 -9.293 -4.409 1.00 11.31 N ATOM 1036 CA GLU A 64 -8.261 -10.611 -3.768 1.00 64.12 C ATOM 1037 C GLU A 64 -6.966 -10.814 -2.968 1.00 4.22 C ATOM 1038 O GLU A 64 -6.969 -11.562 -2.000 1.00 62.13 O ATOM 1039 CB GLU A 64 -8.428 -11.727 -4.829 1.00 61.53 C ATOM 1040 CG GLU A 64 -9.802 -11.724 -5.523 1.00 71.41 C ATOM 1041 CD GLU A 64 -10.990 -11.971 -4.570 1.00 22.43 C ATOM 1042 OE1 GLU A 64 -11.272 -13.146 -4.240 1.00 5.23 O ATOM 1043 OE2 GLU A 64 -11.650 -11.000 -4.137 1.00 34.30 O ATOM 0 H GLU A 64 -8.286 -9.339 -5.427 1.00 11.31 H new ATOM 0 HA GLU A 64 -9.085 -10.665 -3.057 1.00 64.12 H new ATOM 0 HB2 GLU A 64 -7.650 -11.617 -5.584 1.00 61.53 H new ATOM 0 HB3 GLU A 64 -8.274 -12.695 -4.352 1.00 61.53 H new ATOM 0 HG2 GLU A 64 -9.943 -10.765 -6.021 1.00 71.41 H new ATOM 0 HG3 GLU A 64 -9.807 -12.490 -6.299 1.00 71.41 H new ATOM 1050 N ARG A 65 -5.860 -10.194 -3.399 1.00 62.42 N ATOM 1051 CA ARG A 65 -4.610 -10.179 -2.615 1.00 15.13 C ATOM 1052 C ARG A 65 -4.691 -9.123 -1.510 1.00 22.04 C ATOM 1053 O ARG A 65 -4.262 -9.379 -0.392 1.00 2.41 O ATOM 1054 CB ARG A 65 -3.349 -9.975 -3.520 1.00 72.13 C ATOM 1055 CG ARG A 65 -2.582 -11.274 -3.888 1.00 1.32 C ATOM 1056 CD ARG A 65 -3.424 -12.334 -4.637 1.00 15.13 C ATOM 1057 NE ARG A 65 -4.373 -13.039 -3.758 1.00 0.51 N ATOM 1058 CZ ARG A 65 -5.401 -13.805 -4.168 1.00 14.41 C ATOM 1059 NH1 ARG A 65 -5.650 -14.000 -5.470 1.00 61.33 N ATOM 1060 NH2 ARG A 65 -6.204 -14.342 -3.264 1.00 21.02 N ATOM 0 H ARG A 65 -5.802 -9.695 -4.287 1.00 62.42 H new ATOM 0 HA ARG A 65 -4.496 -11.157 -2.147 1.00 15.13 H new ATOM 0 HB2 ARG A 65 -3.659 -9.482 -4.441 1.00 72.13 H new ATOM 0 HB3 ARG A 65 -2.662 -9.298 -3.011 1.00 72.13 H new ATOM 0 HG2 ARG A 65 -1.723 -11.010 -4.505 1.00 1.32 H new ATOM 0 HG3 ARG A 65 -2.192 -11.720 -2.973 1.00 1.32 H new ATOM 0 HD2 ARG A 65 -3.975 -11.850 -5.443 1.00 15.13 H new ATOM 0 HD3 ARG A 65 -2.756 -13.061 -5.099 1.00 15.13 H new ATOM 0 HE ARG A 65 -4.240 -12.938 -2.752 1.00 0.51 H new ATOM 0 HH11 ARG A 65 -5.055 -13.564 -6.174 1.00 61.33 H new ATOM 0 HH12 ARG A 65 -6.435 -14.585 -5.757 1.00 61.33 H new ATOM 0 HH21 ARG A 65 -6.040 -14.173 -2.272 1.00 21.02 H new ATOM 0 HH22 ARG A 65 -6.987 -14.925 -3.560 1.00 21.02 H new ATOM 1074 N ALA A 66 -5.276 -7.951 -1.834 1.00 44.23 N ATOM 1075 CA ALA A 66 -5.418 -6.822 -0.885 1.00 41.33 C ATOM 1076 C ALA A 66 -6.154 -7.234 0.413 1.00 72.22 C ATOM 1077 O ALA A 66 -5.784 -6.797 1.504 1.00 12.15 O ATOM 1078 CB ALA A 66 -6.142 -5.651 -1.578 1.00 64.34 C ATOM 0 H ALA A 66 -5.663 -7.759 -2.758 1.00 44.23 H new ATOM 0 HA ALA A 66 -4.418 -6.506 -0.589 1.00 41.33 H new ATOM 0 HB1 ALA A 66 -6.245 -4.822 -0.878 1.00 64.34 H new ATOM 0 HB2 ALA A 66 -5.563 -5.326 -2.443 1.00 64.34 H new ATOM 0 HB3 ALA A 66 -7.130 -5.976 -1.904 1.00 64.34 H new ATOM 1084 N LYS A 67 -7.168 -8.108 0.270 1.00 72.55 N ATOM 1085 CA LYS A 67 -7.960 -8.626 1.410 1.00 1.34 C ATOM 1086 C LYS A 67 -7.144 -9.618 2.280 1.00 31.03 C ATOM 1087 O LYS A 67 -7.397 -9.731 3.478 1.00 60.41 O ATOM 1088 CB LYS A 67 -9.258 -9.313 0.893 1.00 22.40 C ATOM 1089 CG LYS A 67 -9.014 -10.646 0.157 1.00 43.11 C ATOM 1090 CD LYS A 67 -10.288 -11.288 -0.426 1.00 24.42 C ATOM 1091 CE LYS A 67 -10.033 -12.712 -0.948 1.00 33.25 C ATOM 1092 NZ LYS A 67 -11.288 -13.347 -1.425 1.00 2.50 N ATOM 0 H LYS A 67 -7.463 -8.476 -0.634 1.00 72.55 H new ATOM 0 HA LYS A 67 -8.224 -7.776 2.039 1.00 1.34 H new ATOM 0 HB2 LYS A 67 -9.922 -9.493 1.738 1.00 22.40 H new ATOM 0 HB3 LYS A 67 -9.776 -8.629 0.221 1.00 22.40 H new ATOM 0 HG2 LYS A 67 -8.303 -10.477 -0.652 1.00 43.11 H new ATOM 0 HG3 LYS A 67 -8.549 -11.350 0.848 1.00 43.11 H new ATOM 0 HD2 LYS A 67 -11.062 -11.317 0.341 1.00 24.42 H new ATOM 0 HD3 LYS A 67 -10.667 -10.667 -1.238 1.00 24.42 H new ATOM 0 HE2 LYS A 67 -9.308 -12.679 -1.762 1.00 33.25 H new ATOM 0 HE3 LYS A 67 -9.595 -13.319 -0.155 1.00 33.25 H new ATOM 0 HZ1 LYS A 67 -11.358 -14.310 -1.039 1.00 2.50 H new ATOM 0 HZ2 LYS A 67 -12.104 -12.786 -1.107 1.00 2.50 H new ATOM 0 HZ3 LYS A 67 -11.282 -13.390 -2.464 1.00 2.50 H new ATOM 1106 N ASP A 68 -6.200 -10.365 1.657 1.00 10.43 N ATOM 1107 CA ASP A 68 -5.328 -11.332 2.376 1.00 40.34 C ATOM 1108 C ASP A 68 -4.262 -10.586 3.182 1.00 70.14 C ATOM 1109 O ASP A 68 -4.077 -10.805 4.385 1.00 71.00 O ATOM 1110 CB ASP A 68 -4.597 -12.295 1.389 1.00 0.32 C ATOM 1111 CG ASP A 68 -5.510 -13.107 0.462 1.00 10.13 C ATOM 1112 OD1 ASP A 68 -6.593 -13.557 0.901 1.00 11.44 O ATOM 1113 OD2 ASP A 68 -5.120 -13.337 -0.706 1.00 61.45 O ATOM 0 H ASP A 68 -6.021 -10.317 0.654 1.00 10.43 H new ATOM 0 HA ASP A 68 -5.974 -11.913 3.034 1.00 40.34 H new ATOM 0 HB2 ASP A 68 -3.914 -11.708 0.775 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -3.988 -12.988 1.969 1.00 0.32 H new ATOM 1118 N ILE A 69 -3.591 -9.683 2.461 1.00 15.01 N ATOM 1119 CA ILE A 69 -2.393 -8.974 2.907 1.00 64.01 C ATOM 1120 C ILE A 69 -2.725 -8.003 4.057 1.00 62.33 C ATOM 1121 O ILE A 69 -2.063 -8.019 5.101 1.00 3.43 O ATOM 1122 CB ILE A 69 -1.767 -8.207 1.678 1.00 11.31 C ATOM 1123 CG1 ILE A 69 -1.290 -9.203 0.561 1.00 43.02 C ATOM 1124 CG2 ILE A 69 -0.617 -7.292 2.117 1.00 4.42 C ATOM 1125 CD1 ILE A 69 -0.873 -8.537 -0.749 1.00 5.20 C ATOM 0 H ILE A 69 -3.879 -9.418 1.519 1.00 15.01 H new ATOM 0 HA ILE A 69 -1.667 -9.691 3.291 1.00 64.01 H new ATOM 0 HB ILE A 69 -2.552 -7.581 1.255 1.00 11.31 H new ATOM 0 HG12 ILE A 69 -0.449 -9.781 0.943 1.00 43.02 H new ATOM 0 HG13 ILE A 69 -2.094 -9.909 0.354 1.00 43.02 H new ATOM 0 HG21 ILE A 69 -0.208 -6.779 1.247 1.00 4.42 H new ATOM 0 HG22 ILE A 69 -0.989 -6.557 2.830 1.00 4.42 H new ATOM 0 HG23 ILE A 69 0.165 -7.890 2.586 1.00 4.42 H new ATOM 0 HD11 ILE A 69 -0.559 -9.300 -1.461 1.00 5.20 H new ATOM 0 HD12 ILE A 69 -1.717 -7.982 -1.160 1.00 5.20 H new ATOM 0 HD13 ILE A 69 -0.045 -7.853 -0.562 1.00 5.20 H new ATOM 1137 N ALA A 70 -3.777 -7.190 3.855 1.00 1.34 N ATOM 1138 CA ALA A 70 -4.206 -6.168 4.827 1.00 23.33 C ATOM 1139 C ALA A 70 -4.789 -6.798 6.094 1.00 41.02 C ATOM 1140 O ALA A 70 -4.656 -6.234 7.181 1.00 61.22 O ATOM 1141 CB ALA A 70 -5.239 -5.241 4.186 1.00 54.24 C ATOM 0 H ALA A 70 -4.353 -7.223 3.014 1.00 1.34 H new ATOM 0 HA ALA A 70 -3.325 -5.594 5.115 1.00 23.33 H new ATOM 0 HB1 ALA A 70 -5.551 -4.488 4.910 1.00 54.24 H new ATOM 0 HB2 ALA A 70 -4.798 -4.749 3.319 1.00 54.24 H new ATOM 0 HB3 ALA A 70 -6.105 -5.823 3.872 1.00 54.24 H new ATOM 1147 N GLU A 71 -5.457 -7.956 5.933 1.00 74.23 N ATOM 1148 CA GLU A 71 -6.062 -8.675 7.059 1.00 21.11 C ATOM 1149 C GLU A 71 -4.974 -9.293 7.946 1.00 61.33 C ATOM 1150 O GLU A 71 -5.060 -9.229 9.173 1.00 13.54 O ATOM 1151 CB GLU A 71 -7.039 -9.757 6.548 1.00 54.40 C ATOM 1152 CG GLU A 71 -8.032 -10.279 7.602 1.00 1.03 C ATOM 1153 CD GLU A 71 -9.038 -9.201 8.067 1.00 13.11 C ATOM 1154 OE1 GLU A 71 -10.094 -9.031 7.407 1.00 40.24 O ATOM 1155 OE2 GLU A 71 -8.784 -8.519 9.082 1.00 71.22 O ATOM 0 H GLU A 71 -5.589 -8.411 5.030 1.00 74.23 H new ATOM 0 HA GLU A 71 -6.629 -7.965 7.661 1.00 21.11 H new ATOM 0 HB2 GLU A 71 -7.602 -9.350 5.708 1.00 54.40 H new ATOM 0 HB3 GLU A 71 -6.460 -10.598 6.166 1.00 54.40 H new ATOM 0 HG2 GLU A 71 -8.580 -11.126 7.189 1.00 1.03 H new ATOM 0 HG3 GLU A 71 -7.478 -10.648 8.465 1.00 1.03 H new ATOM 1162 N TYR A 72 -3.931 -9.854 7.295 1.00 62.34 N ATOM 1163 CA TYR A 72 -2.757 -10.408 7.987 1.00 63.24 C ATOM 1164 C TYR A 72 -2.051 -9.293 8.767 1.00 22.32 C ATOM 1165 O TYR A 72 -1.820 -9.425 9.968 1.00 3.20 O ATOM 1166 CB TYR A 72 -1.787 -11.080 6.974 1.00 40.33 C ATOM 1167 CG TYR A 72 -0.496 -11.636 7.607 1.00 60.31 C ATOM 1168 CD1 TYR A 72 -0.519 -12.788 8.401 1.00 1.41 C ATOM 1169 CD2 TYR A 72 0.741 -10.995 7.436 1.00 11.15 C ATOM 1170 CE1 TYR A 72 0.630 -13.277 8.988 1.00 73.11 C ATOM 1171 CE2 TYR A 72 1.894 -11.488 8.021 1.00 13.34 C ATOM 1172 CZ TYR A 72 1.830 -12.627 8.797 1.00 51.33 C ATOM 1173 OH TYR A 72 2.969 -13.114 9.405 1.00 54.21 O ATOM 0 H TYR A 72 -3.884 -9.933 6.279 1.00 62.34 H new ATOM 0 HA TYR A 72 -3.084 -11.176 8.688 1.00 63.24 H new ATOM 0 HB2 TYR A 72 -2.311 -11.893 6.471 1.00 40.33 H new ATOM 0 HB3 TYR A 72 -1.518 -10.352 6.208 1.00 40.33 H new ATOM 0 HD1 TYR A 72 -1.454 -13.305 8.557 1.00 1.41 H new ATOM 0 HD2 TYR A 72 0.794 -10.099 6.836 1.00 11.15 H new ATOM 0 HE1 TYR A 72 0.589 -14.168 9.597 1.00 73.11 H new ATOM 0 HE2 TYR A 72 2.838 -10.985 7.871 1.00 13.34 H new ATOM 0 HH TYR A 72 3.024 -12.769 10.320 1.00 54.21 H new ATOM 1183 N ALA A 73 -1.805 -8.174 8.065 1.00 24.43 N ATOM 1184 CA ALA A 73 -1.132 -6.989 8.610 1.00 23.31 C ATOM 1185 C ALA A 73 -1.859 -6.442 9.852 1.00 41.31 C ATOM 1186 O ALA A 73 -1.225 -6.170 10.876 1.00 73.34 O ATOM 1187 CB ALA A 73 -1.036 -5.914 7.524 1.00 12.42 C ATOM 0 H ALA A 73 -2.074 -8.069 7.087 1.00 24.43 H new ATOM 0 HA ALA A 73 -0.130 -7.278 8.926 1.00 23.31 H new ATOM 0 HB1 ALA A 73 -0.536 -5.033 7.927 1.00 12.42 H new ATOM 0 HB2 ALA A 73 -0.465 -6.300 6.679 1.00 12.42 H new ATOM 0 HB3 ALA A 73 -2.038 -5.642 7.191 1.00 12.42 H new ATOM 1193 N GLN A 74 -3.198 -6.337 9.756 1.00 34.13 N ATOM 1194 CA GLN A 74 -4.059 -5.861 10.855 1.00 62.10 C ATOM 1195 C GLN A 74 -3.891 -6.751 12.102 1.00 25.33 C ATOM 1196 O GLN A 74 -3.691 -6.256 13.215 1.00 25.30 O ATOM 1197 CB GLN A 74 -5.545 -5.862 10.413 1.00 61.32 C ATOM 1198 CG GLN A 74 -6.537 -5.386 11.503 1.00 14.05 C ATOM 1199 CD GLN A 74 -8.018 -5.607 11.172 1.00 51.34 C ATOM 1200 OE1 GLN A 74 -8.840 -5.808 12.072 1.00 42.11 O ATOM 1201 NE2 GLN A 74 -8.385 -5.572 9.900 1.00 63.53 N ATOM 0 H GLN A 74 -3.715 -6.581 8.911 1.00 34.13 H new ATOM 0 HA GLN A 74 -3.759 -4.843 11.105 1.00 62.10 H new ATOM 0 HB2 GLN A 74 -5.651 -5.222 9.537 1.00 61.32 H new ATOM 0 HB3 GLN A 74 -5.819 -6.871 10.105 1.00 61.32 H new ATOM 0 HG2 GLN A 74 -6.307 -5.904 12.434 1.00 14.05 H new ATOM 0 HG3 GLN A 74 -6.375 -4.323 11.682 1.00 14.05 H new ATOM 0 HE21 GLN A 74 -7.689 -5.404 9.173 1.00 63.53 H new ATOM 0 HE22 GLN A 74 -9.363 -5.713 9.647 1.00 63.53 H new ATOM 1210 N LYS A 75 -3.934 -8.069 11.874 1.00 62.03 N ATOM 1211 CA LYS A 75 -3.875 -9.085 12.939 1.00 10.03 C ATOM 1212 C LYS A 75 -2.461 -9.208 13.556 1.00 44.44 C ATOM 1213 O LYS A 75 -2.325 -9.741 14.660 1.00 73.24 O ATOM 1214 CB LYS A 75 -4.380 -10.438 12.374 1.00 63.30 C ATOM 1215 CG LYS A 75 -5.874 -10.416 11.947 1.00 53.14 C ATOM 1216 CD LYS A 75 -6.332 -11.738 11.281 1.00 43.25 C ATOM 1217 CE LYS A 75 -6.216 -12.949 12.220 1.00 73.44 C ATOM 1218 NZ LYS A 75 -6.638 -14.222 11.561 1.00 25.42 N ATOM 0 H LYS A 75 -4.011 -8.467 10.938 1.00 62.03 H new ATOM 0 HA LYS A 75 -4.525 -8.774 13.756 1.00 10.03 H new ATOM 0 HB2 LYS A 75 -3.769 -10.714 11.514 1.00 63.30 H new ATOM 0 HB3 LYS A 75 -4.238 -11.213 13.128 1.00 63.30 H new ATOM 0 HG2 LYS A 75 -6.494 -10.223 12.823 1.00 53.14 H new ATOM 0 HG3 LYS A 75 -6.036 -9.591 11.253 1.00 53.14 H new ATOM 0 HD2 LYS A 75 -7.367 -11.635 10.954 1.00 43.25 H new ATOM 0 HD3 LYS A 75 -5.732 -11.917 10.389 1.00 43.25 H new ATOM 0 HE2 LYS A 75 -5.185 -13.044 12.561 1.00 73.44 H new ATOM 0 HE3 LYS A 75 -6.830 -12.780 13.105 1.00 73.44 H new ATOM 0 HZ1 LYS A 75 -6.542 -15.009 12.234 1.00 25.42 H new ATOM 0 HZ2 LYS A 75 -7.630 -14.144 11.258 1.00 25.42 H new ATOM 0 HZ3 LYS A 75 -6.036 -14.400 10.732 1.00 25.42 H new ATOM 1232 N GLU A 76 -1.421 -8.691 12.857 1.00 4.54 N ATOM 1233 CA GLU A 76 -0.036 -8.608 13.402 1.00 72.55 C ATOM 1234 C GLU A 76 0.161 -7.339 14.257 1.00 13.43 C ATOM 1235 O GLU A 76 1.245 -7.131 14.824 1.00 53.34 O ATOM 1236 CB GLU A 76 1.002 -8.621 12.244 1.00 63.31 C ATOM 1237 CG GLU A 76 0.955 -9.858 11.331 1.00 24.23 C ATOM 1238 CD GLU A 76 1.279 -11.179 12.047 1.00 1.32 C ATOM 1239 OE1 GLU A 76 0.368 -11.787 12.636 1.00 11.04 O ATOM 1240 OE2 GLU A 76 2.446 -11.624 12.014 1.00 31.21 O ATOM 0 H GLU A 76 -1.512 -8.323 11.910 1.00 4.54 H new ATOM 0 HA GLU A 76 0.118 -9.478 14.040 1.00 72.55 H new ATOM 0 HB2 GLU A 76 0.849 -7.732 11.632 1.00 63.31 H new ATOM 0 HB3 GLU A 76 2.001 -8.545 12.673 1.00 63.31 H new ATOM 0 HG2 GLU A 76 -0.038 -9.932 10.888 1.00 24.23 H new ATOM 0 HG3 GLU A 76 1.660 -9.719 10.512 1.00 24.23 H new ATOM 1247 N GLY A 77 -0.891 -6.506 14.347 1.00 32.03 N ATOM 1248 CA GLY A 77 -0.826 -5.227 15.051 1.00 35.01 C ATOM 1249 C GLY A 77 -0.030 -4.196 14.276 1.00 62.23 C ATOM 1250 O GLY A 77 0.749 -3.428 14.847 1.00 51.41 O ATOM 0 H GLY A 77 -1.802 -6.705 13.934 1.00 32.03 H new ATOM 0 HA2 GLY A 77 -1.836 -4.854 15.220 1.00 35.01 H new ATOM 0 HA3 GLY A 77 -0.372 -5.375 16.031 1.00 35.01 H new ATOM 1254 N LEU A 78 -0.202 -4.226 12.954 1.00 65.11 N ATOM 1255 CA LEU A 78 0.435 -3.290 12.030 1.00 33.42 C ATOM 1256 C LEU A 78 -0.650 -2.355 11.489 1.00 21.25 C ATOM 1257 O LEU A 78 -1.685 -2.829 10.999 1.00 51.44 O ATOM 1258 CB LEU A 78 1.136 -4.067 10.874 1.00 11.33 C ATOM 1259 CG LEU A 78 2.112 -5.209 11.310 1.00 14.20 C ATOM 1260 CD1 LEU A 78 2.646 -5.996 10.101 1.00 51.42 C ATOM 1261 CD2 LEU A 78 3.271 -4.671 12.156 1.00 43.02 C ATOM 0 H LEU A 78 -0.797 -4.912 12.489 1.00 65.11 H new ATOM 0 HA LEU A 78 1.202 -2.707 12.540 1.00 33.42 H new ATOM 0 HB2 LEU A 78 0.367 -4.498 10.234 1.00 11.33 H new ATOM 0 HB3 LEU A 78 1.692 -3.352 10.267 1.00 11.33 H new ATOM 0 HG LEU A 78 1.534 -5.896 11.928 1.00 14.20 H new ATOM 0 HD11 LEU A 78 3.320 -6.780 10.446 1.00 51.42 H new ATOM 0 HD12 LEU A 78 1.812 -6.446 9.562 1.00 51.42 H new ATOM 0 HD13 LEU A 78 3.185 -5.321 9.436 1.00 51.42 H new ATOM 0 HD21 LEU A 78 3.927 -5.494 12.440 1.00 43.02 H new ATOM 0 HD22 LEU A 78 3.835 -3.940 11.577 1.00 43.02 H new ATOM 0 HD23 LEU A 78 2.876 -4.196 13.054 1.00 43.02 H new ATOM 1273 N ARG A 79 -0.427 -1.043 11.625 1.00 23.52 N ATOM 1274 CA ARG A 79 -1.374 -0.009 11.198 1.00 53.41 C ATOM 1275 C ARG A 79 -1.487 -0.037 9.651 1.00 1.21 C ATOM 1276 O ARG A 79 -0.505 0.230 8.954 1.00 53.13 O ATOM 1277 CB ARG A 79 -0.886 1.378 11.731 1.00 62.13 C ATOM 1278 CG ARG A 79 -1.982 2.455 11.940 1.00 54.45 C ATOM 1279 CD ARG A 79 -2.659 2.926 10.646 1.00 52.02 C ATOM 1280 NE ARG A 79 -3.567 4.056 10.875 1.00 61.05 N ATOM 1281 CZ ARG A 79 -4.155 4.769 9.910 1.00 64.23 C ATOM 1282 NH1 ARG A 79 -3.961 4.482 8.627 1.00 62.44 N ATOM 1283 NH2 ARG A 79 -4.923 5.785 10.234 1.00 13.24 N ATOM 0 H ARG A 79 0.426 -0.666 12.039 1.00 23.52 H new ATOM 0 HA ARG A 79 -2.367 -0.192 11.608 1.00 53.41 H new ATOM 0 HB2 ARG A 79 -0.376 1.220 12.681 1.00 62.13 H new ATOM 0 HB3 ARG A 79 -0.147 1.772 11.034 1.00 62.13 H new ATOM 0 HG2 ARG A 79 -2.743 2.056 12.610 1.00 54.45 H new ATOM 0 HG3 ARG A 79 -1.538 3.317 12.438 1.00 54.45 H new ATOM 0 HD2 ARG A 79 -1.896 3.216 9.924 1.00 52.02 H new ATOM 0 HD3 ARG A 79 -3.216 2.098 10.207 1.00 52.02 H new ATOM 0 HE ARG A 79 -3.764 4.316 11.841 1.00 61.05 H new ATOM 0 HH11 ARG A 79 -3.354 3.705 8.364 1.00 62.44 H new ATOM 0 HH12 ARG A 79 -4.419 5.038 7.905 1.00 62.44 H new ATOM 0 HH21 ARG A 79 -5.066 6.024 11.215 1.00 13.24 H new ATOM 0 HH22 ARG A 79 -5.376 6.335 9.504 1.00 13.24 H new ATOM 1297 N VAL A 80 -2.691 -0.353 9.136 1.00 73.11 N ATOM 1298 CA VAL A 80 -2.918 -0.565 7.694 1.00 20.04 C ATOM 1299 C VAL A 80 -3.391 0.738 7.019 1.00 12.34 C ATOM 1300 O VAL A 80 -4.264 1.457 7.531 1.00 42.43 O ATOM 1301 CB VAL A 80 -3.969 -1.716 7.434 1.00 64.33 C ATOM 1302 CG1 VAL A 80 -4.142 -2.005 5.921 1.00 42.11 C ATOM 1303 CG2 VAL A 80 -3.579 -2.998 8.200 1.00 43.41 C ATOM 0 H VAL A 80 -3.530 -0.468 9.705 1.00 73.11 H new ATOM 0 HA VAL A 80 -1.966 -0.868 7.257 1.00 20.04 H new ATOM 0 HB VAL A 80 -4.932 -1.371 7.811 1.00 64.33 H new ATOM 0 HG11 VAL A 80 -4.873 -2.802 5.784 1.00 42.11 H new ATOM 0 HG12 VAL A 80 -4.489 -1.104 5.416 1.00 42.11 H new ATOM 0 HG13 VAL A 80 -3.186 -2.313 5.498 1.00 42.11 H new ATOM 0 HG21 VAL A 80 -4.317 -3.776 8.006 1.00 43.41 H new ATOM 0 HG22 VAL A 80 -2.598 -3.337 7.867 1.00 43.41 H new ATOM 0 HG23 VAL A 80 -3.546 -2.787 9.269 1.00 43.41 H new ATOM 1313 N ILE A 81 -2.743 1.041 5.890 1.00 1.20 N ATOM 1314 CA ILE A 81 -3.082 2.124 4.969 1.00 44.40 C ATOM 1315 C ILE A 81 -3.291 1.450 3.602 1.00 21.14 C ATOM 1316 O ILE A 81 -2.556 0.520 3.272 1.00 0.25 O ATOM 1317 CB ILE A 81 -1.922 3.211 4.867 1.00 53.21 C ATOM 1318 CG1 ILE A 81 -1.757 4.046 6.186 1.00 21.03 C ATOM 1319 CG2 ILE A 81 -2.130 4.153 3.661 1.00 12.53 C ATOM 1320 CD1 ILE A 81 -0.996 3.355 7.305 1.00 75.34 C ATOM 0 H ILE A 81 -1.929 0.510 5.581 1.00 1.20 H new ATOM 0 HA ILE A 81 -3.967 2.657 5.315 1.00 44.40 H new ATOM 0 HB ILE A 81 -0.999 2.651 4.717 1.00 53.21 H new ATOM 0 HG12 ILE A 81 -1.246 4.978 5.944 1.00 21.03 H new ATOM 0 HG13 ILE A 81 -2.748 4.312 6.554 1.00 21.03 H new ATOM 0 HG21 ILE A 81 -1.319 4.881 3.624 1.00 12.53 H new ATOM 0 HG22 ILE A 81 -2.136 3.569 2.740 1.00 12.53 H new ATOM 0 HG23 ILE A 81 -3.081 4.674 3.766 1.00 12.53 H new ATOM 0 HD11 ILE A 81 -0.939 4.017 8.169 1.00 75.34 H new ATOM 0 HD12 ILE A 81 -1.514 2.437 7.584 1.00 75.34 H new ATOM 0 HD13 ILE A 81 0.011 3.114 6.965 1.00 75.34 H new ATOM 1332 N VAL A 82 -4.314 1.864 2.844 1.00 54.03 N ATOM 1333 CA VAL A 82 -4.563 1.356 1.478 1.00 25.51 C ATOM 1334 C VAL A 82 -4.709 2.570 0.544 1.00 60.02 C ATOM 1335 O VAL A 82 -5.631 3.340 0.701 1.00 63.12 O ATOM 1336 CB VAL A 82 -5.866 0.451 1.419 1.00 23.21 C ATOM 1337 CG1 VAL A 82 -6.147 -0.047 -0.016 1.00 11.12 C ATOM 1338 CG2 VAL A 82 -5.781 -0.743 2.407 1.00 64.24 C ATOM 0 H VAL A 82 -4.994 2.558 3.154 1.00 54.03 H new ATOM 0 HA VAL A 82 -3.729 0.728 1.166 1.00 25.51 H new ATOM 0 HB VAL A 82 -6.702 1.080 1.727 1.00 23.21 H new ATOM 0 HG11 VAL A 82 -7.046 -0.663 -0.018 1.00 11.12 H new ATOM 0 HG12 VAL A 82 -6.292 0.808 -0.676 1.00 11.12 H new ATOM 0 HG13 VAL A 82 -5.301 -0.638 -0.368 1.00 11.12 H new ATOM 0 HG21 VAL A 82 -6.691 -1.339 2.337 1.00 64.24 H new ATOM 0 HG22 VAL A 82 -4.921 -1.363 2.155 1.00 64.24 H new ATOM 0 HG23 VAL A 82 -5.671 -0.367 3.424 1.00 64.24 H new ATOM 1348 N ILE A 83 -3.764 2.763 -0.388 1.00 14.02 N ATOM 1349 CA ILE A 83 -3.792 3.893 -1.344 1.00 54.23 C ATOM 1350 C ILE A 83 -4.070 3.355 -2.748 1.00 10.11 C ATOM 1351 O ILE A 83 -3.204 2.746 -3.371 1.00 40.34 O ATOM 1352 CB ILE A 83 -2.427 4.680 -1.316 1.00 23.43 C ATOM 1353 CG1 ILE A 83 -2.120 5.137 0.138 1.00 55.14 C ATOM 1354 CG2 ILE A 83 -2.444 5.886 -2.294 1.00 23.31 C ATOM 1355 CD1 ILE A 83 -0.764 5.751 0.343 1.00 61.24 C ATOM 0 H ILE A 83 -2.960 2.146 -0.505 1.00 14.02 H new ATOM 0 HA ILE A 83 -4.583 4.586 -1.057 1.00 54.23 H new ATOM 0 HB ILE A 83 -1.633 4.013 -1.652 1.00 23.43 H new ATOM 0 HG12 ILE A 83 -2.878 5.859 0.443 1.00 55.14 H new ATOM 0 HG13 ILE A 83 -2.215 4.276 0.800 1.00 55.14 H new ATOM 0 HG21 ILE A 83 -1.487 6.405 -2.248 1.00 23.31 H new ATOM 0 HG22 ILE A 83 -2.615 5.529 -3.310 1.00 23.31 H new ATOM 0 HG23 ILE A 83 -3.243 6.572 -2.012 1.00 23.31 H new ATOM 0 HD11 ILE A 83 -0.648 6.036 1.389 1.00 61.24 H new ATOM 0 HD12 ILE A 83 0.007 5.028 0.076 1.00 61.24 H new ATOM 0 HD13 ILE A 83 -0.666 6.635 -0.287 1.00 61.24 H new ATOM 1367 N ILE A 84 -5.293 3.562 -3.230 1.00 44.44 N ATOM 1368 CA ILE A 84 -5.730 3.065 -4.539 1.00 41.14 C ATOM 1369 C ILE A 84 -5.577 4.177 -5.585 1.00 71.14 C ATOM 1370 O ILE A 84 -6.237 5.220 -5.498 1.00 13.30 O ATOM 1371 CB ILE A 84 -7.209 2.535 -4.458 1.00 62.12 C ATOM 1372 CG1 ILE A 84 -7.272 1.389 -3.397 1.00 43.41 C ATOM 1373 CG2 ILE A 84 -7.726 2.064 -5.846 1.00 0.31 C ATOM 1374 CD1 ILE A 84 -8.637 0.818 -3.136 1.00 4.42 C ATOM 0 H ILE A 84 -6.013 4.080 -2.726 1.00 44.44 H new ATOM 0 HA ILE A 84 -5.104 2.226 -4.842 1.00 41.14 H new ATOM 0 HB ILE A 84 -7.868 3.347 -4.150 1.00 62.12 H new ATOM 0 HG12 ILE A 84 -6.616 0.581 -3.722 1.00 43.41 H new ATOM 0 HG13 ILE A 84 -6.870 1.767 -2.457 1.00 43.41 H new ATOM 0 HG21 ILE A 84 -8.751 1.705 -5.750 1.00 0.31 H new ATOM 0 HG22 ILE A 84 -7.698 2.898 -6.547 1.00 0.31 H new ATOM 0 HG23 ILE A 84 -7.092 1.258 -6.216 1.00 0.31 H new ATOM 0 HD11 ILE A 84 -8.565 0.032 -2.385 1.00 4.42 H new ATOM 0 HD12 ILE A 84 -9.298 1.606 -2.774 1.00 4.42 H new ATOM 0 HD13 ILE A 84 -9.040 0.402 -4.059 1.00 4.42 H new ATOM 1386 N VAL A 85 -4.631 3.963 -6.510 1.00 10.41 N ATOM 1387 CA VAL A 85 -4.358 4.848 -7.644 1.00 71.21 C ATOM 1388 C VAL A 85 -5.129 4.335 -8.870 1.00 50.01 C ATOM 1389 O VAL A 85 -4.806 3.271 -9.401 1.00 21.44 O ATOM 1390 CB VAL A 85 -2.809 4.895 -7.973 1.00 74.22 C ATOM 1391 CG1 VAL A 85 -2.465 6.064 -8.929 1.00 71.40 C ATOM 1392 CG2 VAL A 85 -1.969 4.953 -6.676 1.00 34.42 C ATOM 0 H VAL A 85 -4.020 3.147 -6.487 1.00 10.41 H new ATOM 0 HA VAL A 85 -4.680 5.857 -7.387 1.00 71.21 H new ATOM 0 HB VAL A 85 -2.552 3.972 -8.492 1.00 74.22 H new ATOM 0 HG11 VAL A 85 -1.394 6.065 -9.132 1.00 71.40 H new ATOM 0 HG12 VAL A 85 -3.012 5.942 -9.864 1.00 71.40 H new ATOM 0 HG13 VAL A 85 -2.747 7.009 -8.464 1.00 71.40 H new ATOM 0 HG21 VAL A 85 -0.909 4.984 -6.930 1.00 34.42 H new ATOM 0 HG22 VAL A 85 -2.233 5.847 -6.111 1.00 34.42 H new ATOM 0 HG23 VAL A 85 -2.171 4.069 -6.072 1.00 34.42 H new ATOM 1402 N SER A 86 -6.172 5.065 -9.279 1.00 1.34 N ATOM 1403 CA SER A 86 -6.930 4.765 -10.495 1.00 44.15 C ATOM 1404 C SER A 86 -7.379 6.075 -11.143 1.00 45.54 C ATOM 1405 O SER A 86 -7.836 6.994 -10.454 1.00 41.22 O ATOM 1406 CB SER A 86 -8.156 3.872 -10.181 1.00 12.32 C ATOM 1407 OG SER A 86 -8.893 3.568 -11.359 1.00 63.04 O ATOM 0 H SER A 86 -6.514 5.882 -8.774 1.00 1.34 H new ATOM 0 HA SER A 86 -6.288 4.216 -11.184 1.00 44.15 H new ATOM 0 HB2 SER A 86 -7.823 2.947 -9.710 1.00 12.32 H new ATOM 0 HB3 SER A 86 -8.804 4.379 -9.466 1.00 12.32 H new ATOM 0 HG SER A 86 -9.187 2.633 -11.329 1.00 63.04 H new ATOM 1413 N GLN A 87 -7.242 6.128 -12.474 1.00 74.41 N ATOM 1414 CA GLN A 87 -7.691 7.262 -13.312 1.00 23.22 C ATOM 1415 C GLN A 87 -9.234 7.385 -13.325 1.00 24.02 C ATOM 1416 O GLN A 87 -9.780 8.420 -13.730 1.00 64.25 O ATOM 1417 CB GLN A 87 -7.162 7.082 -14.764 1.00 3.42 C ATOM 1418 CG GLN A 87 -7.608 5.756 -15.439 1.00 5.32 C ATOM 1419 CD GLN A 87 -7.285 5.672 -16.936 1.00 70.32 C ATOM 1420 OE1 GLN A 87 -7.261 6.681 -17.641 1.00 4.52 O ATOM 1421 NE2 GLN A 87 -7.056 4.472 -17.439 1.00 63.11 N ATOM 0 H GLN A 87 -6.811 5.377 -13.013 1.00 74.41 H new ATOM 0 HA GLN A 87 -7.287 8.179 -12.883 1.00 23.22 H new ATOM 0 HB2 GLN A 87 -7.505 7.920 -15.371 1.00 3.42 H new ATOM 0 HB3 GLN A 87 -6.073 7.122 -14.751 1.00 3.42 H new ATOM 0 HG2 GLN A 87 -7.127 4.922 -14.928 1.00 5.32 H new ATOM 0 HG3 GLN A 87 -8.683 5.636 -15.304 1.00 5.32 H new ATOM 0 HE21 GLN A 87 -7.082 3.652 -16.833 1.00 63.11 H new ATOM 0 HE22 GLN A 87 -6.853 4.366 -18.433 1.00 63.11 H new ATOM 1430 N ASP A 88 -9.915 6.309 -12.897 1.00 43.53 N ATOM 1431 CA ASP A 88 -11.378 6.193 -12.904 1.00 10.40 C ATOM 1432 C ASP A 88 -11.932 6.332 -11.480 1.00 32.32 C ATOM 1433 O ASP A 88 -11.466 5.652 -10.554 1.00 73.23 O ATOM 1434 CB ASP A 88 -11.776 4.827 -13.506 1.00 15.34 C ATOM 1435 CG ASP A 88 -13.298 4.641 -13.602 1.00 54.20 C ATOM 1436 OD1 ASP A 88 -13.903 5.165 -14.548 1.00 54.31 O ATOM 1437 OD2 ASP A 88 -13.893 3.981 -12.733 1.00 51.00 O ATOM 0 H ASP A 88 -9.451 5.479 -12.529 1.00 43.53 H new ATOM 0 HA ASP A 88 -11.801 6.993 -13.512 1.00 10.40 H new ATOM 0 HB2 ASP A 88 -11.339 4.732 -14.500 1.00 15.34 H new ATOM 0 HB3 ASP A 88 -11.355 4.029 -12.895 1.00 15.34 H new ATOM 1442 N GLU A 89 -12.959 7.189 -11.334 1.00 71.52 N ATOM 1443 CA GLU A 89 -13.554 7.533 -10.030 1.00 33.15 C ATOM 1444 C GLU A 89 -14.347 6.361 -9.417 1.00 14.20 C ATOM 1445 O GLU A 89 -14.334 6.191 -8.204 1.00 44.31 O ATOM 1446 CB GLU A 89 -14.456 8.788 -10.150 1.00 33.44 C ATOM 1447 CG GLU A 89 -13.712 10.055 -10.630 1.00 70.04 C ATOM 1448 CD GLU A 89 -14.609 11.302 -10.635 1.00 71.14 C ATOM 1449 OE1 GLU A 89 -15.424 11.452 -11.571 1.00 72.42 O ATOM 1450 OE2 GLU A 89 -14.517 12.133 -9.703 1.00 54.23 O ATOM 0 H GLU A 89 -13.401 7.664 -12.121 1.00 71.52 H new ATOM 0 HA GLU A 89 -12.727 7.753 -9.355 1.00 33.15 H new ATOM 0 HB2 GLU A 89 -15.270 8.573 -10.843 1.00 33.44 H new ATOM 0 HB3 GLU A 89 -14.909 8.991 -9.180 1.00 33.44 H new ATOM 0 HG2 GLU A 89 -12.852 10.233 -9.984 1.00 70.04 H new ATOM 0 HG3 GLU A 89 -13.326 9.886 -11.635 1.00 70.04 H new ATOM 1457 N GLU A 90 -15.011 5.551 -10.261 1.00 44.01 N ATOM 1458 CA GLU A 90 -15.849 4.420 -9.806 1.00 23.23 C ATOM 1459 C GLU A 90 -14.985 3.311 -9.168 1.00 72.23 C ATOM 1460 O GLU A 90 -15.409 2.654 -8.210 1.00 54.31 O ATOM 1461 CB GLU A 90 -16.675 3.871 -10.994 1.00 61.42 C ATOM 1462 CG GLU A 90 -17.719 2.812 -10.616 1.00 33.31 C ATOM 1463 CD GLU A 90 -18.534 2.316 -11.820 1.00 72.10 C ATOM 1464 OE1 GLU A 90 -19.578 2.921 -12.139 1.00 51.42 O ATOM 1465 OE2 GLU A 90 -18.135 1.320 -12.459 1.00 15.05 O ATOM 0 H GLU A 90 -14.984 5.659 -11.275 1.00 44.01 H new ATOM 0 HA GLU A 90 -16.536 4.778 -9.039 1.00 23.23 H new ATOM 0 HB2 GLU A 90 -17.182 4.704 -11.481 1.00 61.42 H new ATOM 0 HB3 GLU A 90 -15.991 3.442 -11.726 1.00 61.42 H new ATOM 0 HG2 GLU A 90 -17.216 1.964 -10.150 1.00 33.31 H new ATOM 0 HG3 GLU A 90 -18.398 3.228 -9.872 1.00 33.31 H new ATOM 1472 N ALA A 91 -13.767 3.135 -9.713 1.00 53.41 N ATOM 1473 CA ALA A 91 -12.761 2.210 -9.158 1.00 55.30 C ATOM 1474 C ALA A 91 -12.249 2.709 -7.797 1.00 43.22 C ATOM 1475 O ALA A 91 -12.037 1.914 -6.870 1.00 22.20 O ATOM 1476 CB ALA A 91 -11.593 2.046 -10.130 1.00 52.43 C ATOM 0 H ALA A 91 -13.453 3.629 -10.548 1.00 53.41 H new ATOM 0 HA ALA A 91 -13.238 1.241 -9.012 1.00 55.30 H new ATOM 0 HB1 ALA A 91 -10.860 1.360 -9.705 1.00 52.43 H new ATOM 0 HB2 ALA A 91 -11.960 1.645 -11.075 1.00 52.43 H new ATOM 0 HB3 ALA A 91 -11.125 3.015 -10.304 1.00 52.43 H new ATOM 1482 N LEU A 92 -12.061 4.042 -7.700 1.00 2.40 N ATOM 1483 CA LEU A 92 -11.654 4.716 -6.455 1.00 43.04 C ATOM 1484 C LEU A 92 -12.733 4.566 -5.367 1.00 41.30 C ATOM 1485 O LEU A 92 -12.411 4.327 -4.209 1.00 65.41 O ATOM 1486 CB LEU A 92 -11.360 6.224 -6.721 1.00 5.11 C ATOM 1487 CG LEU A 92 -10.145 6.538 -7.650 1.00 50.31 C ATOM 1488 CD1 LEU A 92 -9.984 8.059 -7.882 1.00 32.50 C ATOM 1489 CD2 LEU A 92 -8.852 5.924 -7.091 1.00 24.41 C ATOM 0 H LEU A 92 -12.188 4.680 -8.486 1.00 2.40 H new ATOM 0 HA LEU A 92 -10.741 4.239 -6.097 1.00 43.04 H new ATOM 0 HB2 LEU A 92 -12.251 6.674 -7.159 1.00 5.11 H new ATOM 0 HB3 LEU A 92 -11.193 6.715 -5.762 1.00 5.11 H new ATOM 0 HG LEU A 92 -10.345 6.080 -8.619 1.00 50.31 H new ATOM 0 HD11 LEU A 92 -9.129 8.239 -8.533 1.00 32.50 H new ATOM 0 HD12 LEU A 92 -10.886 8.453 -8.350 1.00 32.50 H new ATOM 0 HD13 LEU A 92 -9.824 8.558 -6.926 1.00 32.50 H new ATOM 0 HD21 LEU A 92 -8.021 6.157 -7.757 1.00 24.41 H new ATOM 0 HD22 LEU A 92 -8.651 6.336 -6.102 1.00 24.41 H new ATOM 0 HD23 LEU A 92 -8.965 4.842 -7.017 1.00 24.41 H new ATOM 1501 N ARG A 93 -14.016 4.677 -5.775 1.00 4.32 N ATOM 1502 CA ARG A 93 -15.172 4.656 -4.855 1.00 74.31 C ATOM 1503 C ARG A 93 -15.404 3.250 -4.275 1.00 65.52 C ATOM 1504 O ARG A 93 -15.503 3.091 -3.051 1.00 54.51 O ATOM 1505 CB ARG A 93 -16.453 5.152 -5.582 1.00 63.01 C ATOM 1506 CG ARG A 93 -16.450 6.660 -5.920 1.00 35.41 C ATOM 1507 CD ARG A 93 -17.662 7.078 -6.771 1.00 54.21 C ATOM 1508 NE ARG A 93 -17.606 8.496 -7.152 1.00 55.41 N ATOM 1509 CZ ARG A 93 -18.448 9.098 -8.017 1.00 21.44 C ATOM 1510 NH1 ARG A 93 -19.418 8.412 -8.622 1.00 74.45 N ATOM 1511 NH2 ARG A 93 -18.327 10.397 -8.252 1.00 23.24 N ATOM 0 H ARG A 93 -14.279 4.784 -6.755 1.00 4.32 H new ATOM 0 HA ARG A 93 -14.949 5.329 -4.027 1.00 74.31 H new ATOM 0 HB2 ARG A 93 -16.575 4.585 -6.505 1.00 63.01 H new ATOM 0 HB3 ARG A 93 -17.319 4.934 -4.957 1.00 63.01 H new ATOM 0 HG2 ARG A 93 -16.444 7.236 -4.995 1.00 35.41 H new ATOM 0 HG3 ARG A 93 -15.533 6.907 -6.455 1.00 35.41 H new ATOM 0 HD2 ARG A 93 -17.703 6.463 -7.670 1.00 54.21 H new ATOM 0 HD3 ARG A 93 -18.579 6.889 -6.213 1.00 54.21 H new ATOM 0 HE ARG A 93 -16.875 9.069 -6.730 1.00 55.41 H new ATOM 0 HH11 ARG A 93 -19.532 7.416 -8.434 1.00 74.45 H new ATOM 0 HH12 ARG A 93 -20.046 8.883 -9.273 1.00 74.45 H new ATOM 0 HH21 ARG A 93 -17.600 10.935 -7.780 1.00 23.24 H new ATOM 0 HH22 ARG A 93 -18.960 10.858 -8.905 1.00 23.24 H new ATOM 1525 N LYS A 94 -15.476 2.245 -5.172 1.00 61.40 N ATOM 1526 CA LYS A 94 -15.668 0.833 -4.789 1.00 22.51 C ATOM 1527 C LYS A 94 -14.519 0.358 -3.907 1.00 1.04 C ATOM 1528 O LYS A 94 -14.749 -0.212 -2.844 1.00 4.34 O ATOM 1529 CB LYS A 94 -15.809 -0.077 -6.044 1.00 33.04 C ATOM 1530 CG LYS A 94 -17.208 -0.083 -6.690 1.00 24.14 C ATOM 1531 CD LYS A 94 -18.274 -0.694 -5.744 1.00 5.11 C ATOM 1532 CE LYS A 94 -19.657 -0.814 -6.395 1.00 70.10 C ATOM 1533 NZ LYS A 94 -20.156 0.488 -6.901 1.00 31.40 N ATOM 0 H LYS A 94 -15.403 2.390 -6.179 1.00 61.40 H new ATOM 0 HA LYS A 94 -16.595 0.762 -4.220 1.00 22.51 H new ATOM 0 HB2 LYS A 94 -15.082 0.244 -6.790 1.00 33.04 H new ATOM 0 HB3 LYS A 94 -15.550 -1.098 -5.765 1.00 33.04 H new ATOM 0 HG2 LYS A 94 -17.493 0.936 -6.950 1.00 24.14 H new ATOM 0 HG3 LYS A 94 -17.177 -0.652 -7.619 1.00 24.14 H new ATOM 0 HD2 LYS A 94 -17.943 -1.682 -5.423 1.00 5.11 H new ATOM 0 HD3 LYS A 94 -18.353 -0.078 -4.848 1.00 5.11 H new ATOM 0 HE2 LYS A 94 -19.608 -1.527 -7.218 1.00 70.10 H new ATOM 0 HE3 LYS A 94 -20.364 -1.214 -5.669 1.00 70.10 H new ATOM 0 HZ1 LYS A 94 -21.127 0.374 -7.255 1.00 31.40 H new ATOM 0 HZ2 LYS A 94 -20.149 1.186 -6.130 1.00 31.40 H new ATOM 0 HZ3 LYS A 94 -19.543 0.819 -7.673 1.00 31.40 H new ATOM 1547 N GLY A 95 -13.290 0.638 -4.357 1.00 5.03 N ATOM 1548 CA GLY A 95 -12.092 0.286 -3.613 1.00 52.34 C ATOM 1549 C GLY A 95 -12.010 0.943 -2.238 1.00 65.51 C ATOM 1550 O GLY A 95 -11.536 0.315 -1.279 1.00 62.54 O ATOM 0 H GLY A 95 -13.107 1.112 -5.242 1.00 5.03 H new ATOM 0 HA2 GLY A 95 -12.055 -0.797 -3.492 1.00 52.34 H new ATOM 0 HA3 GLY A 95 -11.216 0.572 -4.195 1.00 52.34 H new ATOM 1554 N TYR A 96 -12.486 2.200 -2.149 1.00 52.11 N ATOM 1555 CA TYR A 96 -12.388 3.005 -0.919 1.00 34.10 C ATOM 1556 C TYR A 96 -13.185 2.361 0.223 1.00 2.00 C ATOM 1557 O TYR A 96 -12.600 1.931 1.213 1.00 62.23 O ATOM 1558 CB TYR A 96 -12.889 4.450 -1.185 1.00 11.24 C ATOM 1559 CG TYR A 96 -12.809 5.414 0.008 1.00 41.42 C ATOM 1560 CD1 TYR A 96 -11.575 5.791 0.538 1.00 52.11 C ATOM 1561 CD2 TYR A 96 -13.960 5.954 0.602 1.00 70.25 C ATOM 1562 CE1 TYR A 96 -11.492 6.661 1.600 1.00 63.21 C ATOM 1563 CE2 TYR A 96 -13.873 6.830 1.668 1.00 60.43 C ATOM 1564 CZ TYR A 96 -12.635 7.180 2.162 1.00 31.01 C ATOM 1565 OH TYR A 96 -12.537 8.041 3.236 1.00 11.22 O ATOM 0 H TYR A 96 -12.946 2.682 -2.922 1.00 52.11 H new ATOM 0 HA TYR A 96 -11.341 3.046 -0.617 1.00 34.10 H new ATOM 0 HB2 TYR A 96 -12.309 4.870 -2.007 1.00 11.24 H new ATOM 0 HB3 TYR A 96 -13.925 4.400 -1.519 1.00 11.24 H new ATOM 0 HD1 TYR A 96 -10.669 5.393 0.107 1.00 52.11 H new ATOM 0 HD2 TYR A 96 -14.932 5.680 0.219 1.00 70.25 H new ATOM 0 HE1 TYR A 96 -10.525 6.938 1.994 1.00 63.21 H new ATOM 0 HE2 TYR A 96 -14.770 7.238 2.111 1.00 60.43 H new ATOM 0 HH TYR A 96 -13.434 8.319 3.515 1.00 11.22 H new ATOM 1575 N GLU A 97 -14.507 2.221 0.024 1.00 61.10 N ATOM 1576 CA GLU A 97 -15.425 1.716 1.072 1.00 52.12 C ATOM 1577 C GLU A 97 -15.267 0.200 1.306 1.00 64.42 C ATOM 1578 O GLU A 97 -15.500 -0.273 2.427 1.00 31.11 O ATOM 1579 CB GLU A 97 -16.903 2.152 0.798 1.00 14.32 C ATOM 1580 CG GLU A 97 -17.447 1.960 -0.642 1.00 54.13 C ATOM 1581 CD GLU A 97 -17.831 0.526 -1.028 1.00 14.21 C ATOM 1582 OE1 GLU A 97 -18.307 -0.242 -0.165 1.00 21.42 O ATOM 1583 OE2 GLU A 97 -17.709 0.170 -2.212 1.00 41.43 O ATOM 0 H GLU A 97 -14.970 2.450 -0.855 1.00 61.10 H new ATOM 0 HA GLU A 97 -15.138 2.185 2.013 1.00 52.12 H new ATOM 0 HB2 GLU A 97 -17.549 1.599 1.479 1.00 14.32 H new ATOM 0 HB3 GLU A 97 -16.997 3.207 1.056 1.00 14.32 H new ATOM 0 HG2 GLU A 97 -18.323 2.596 -0.766 1.00 54.13 H new ATOM 0 HG3 GLU A 97 -16.693 2.315 -1.345 1.00 54.13 H new ATOM 1590 N ASP A 98 -14.870 -0.548 0.249 1.00 22.15 N ATOM 1591 CA ASP A 98 -14.633 -2.011 0.327 1.00 4.35 C ATOM 1592 C ASP A 98 -13.557 -2.362 1.378 1.00 33.52 C ATOM 1593 O ASP A 98 -13.751 -3.249 2.204 1.00 24.41 O ATOM 1594 CB ASP A 98 -14.218 -2.580 -1.056 1.00 71.40 C ATOM 1595 CG ASP A 98 -14.005 -4.103 -1.044 1.00 53.12 C ATOM 1596 OD1 ASP A 98 -14.992 -4.855 -1.162 1.00 63.11 O ATOM 1597 OD2 ASP A 98 -12.854 -4.567 -0.929 1.00 52.24 O ATOM 0 H ASP A 98 -14.705 -0.157 -0.679 1.00 22.15 H new ATOM 0 HA ASP A 98 -15.573 -2.469 0.635 1.00 4.35 H new ATOM 0 HB2 ASP A 98 -14.986 -2.333 -1.789 1.00 71.40 H new ATOM 0 HB3 ASP A 98 -13.298 -2.093 -1.381 1.00 71.40 H new ATOM 1602 N LYS A 99 -12.414 -1.673 1.314 1.00 64.03 N ATOM 1603 CA LYS A 99 -11.304 -1.892 2.268 1.00 2.24 C ATOM 1604 C LYS A 99 -11.613 -1.192 3.607 1.00 62.13 C ATOM 1605 O LYS A 99 -11.302 -1.715 4.679 1.00 11.54 O ATOM 1606 CB LYS A 99 -9.937 -1.407 1.681 1.00 43.22 C ATOM 1607 CG LYS A 99 -9.284 -2.342 0.630 1.00 4.12 C ATOM 1608 CD LYS A 99 -10.163 -2.551 -0.621 1.00 5.24 C ATOM 1609 CE LYS A 99 -9.540 -3.490 -1.663 1.00 74.14 C ATOM 1610 NZ LYS A 99 -10.552 -3.893 -2.673 1.00 3.21 N ATOM 0 H LYS A 99 -12.225 -0.956 0.613 1.00 64.03 H new ATOM 0 HA LYS A 99 -11.214 -2.964 2.446 1.00 2.24 H new ATOM 0 HB2 LYS A 99 -10.085 -0.428 1.226 1.00 43.22 H new ATOM 0 HB3 LYS A 99 -9.236 -1.273 2.505 1.00 43.22 H new ATOM 0 HG2 LYS A 99 -8.324 -1.924 0.327 1.00 4.12 H new ATOM 0 HG3 LYS A 99 -9.080 -3.309 1.089 1.00 4.12 H new ATOM 0 HD2 LYS A 99 -11.128 -2.954 -0.313 1.00 5.24 H new ATOM 0 HD3 LYS A 99 -10.355 -1.584 -1.085 1.00 5.24 H new ATOM 0 HE2 LYS A 99 -8.704 -2.993 -2.156 1.00 74.14 H new ATOM 0 HE3 LYS A 99 -9.138 -4.375 -1.169 1.00 74.14 H new ATOM 0 HZ1 LYS A 99 -10.099 -3.970 -3.606 1.00 3.21 H new ATOM 0 HZ2 LYS A 99 -10.959 -4.813 -2.409 1.00 3.21 H new ATOM 0 HZ3 LYS A 99 -11.307 -3.179 -2.712 1.00 3.21 H new ATOM 1624 N LYS A 100 -12.265 -0.021 3.526 1.00 30.31 N ATOM 1625 CA LYS A 100 -12.520 0.855 4.688 1.00 13.31 C ATOM 1626 C LYS A 100 -13.523 0.236 5.686 1.00 50.22 C ATOM 1627 O LYS A 100 -13.439 0.503 6.889 1.00 23.11 O ATOM 1628 CB LYS A 100 -12.996 2.243 4.197 1.00 22.34 C ATOM 1629 CG LYS A 100 -13.171 3.315 5.281 1.00 23.14 C ATOM 1630 CD LYS A 100 -13.537 4.688 4.683 1.00 32.24 C ATOM 1631 CE LYS A 100 -13.883 5.726 5.758 1.00 14.40 C ATOM 1632 NZ LYS A 100 -15.115 5.359 6.507 1.00 12.25 N ATOM 0 H LYS A 100 -12.633 0.349 2.650 1.00 30.31 H new ATOM 0 HA LYS A 100 -11.584 0.970 5.234 1.00 13.31 H new ATOM 0 HB2 LYS A 100 -12.281 2.611 3.462 1.00 22.34 H new ATOM 0 HB3 LYS A 100 -13.948 2.117 3.681 1.00 22.34 H new ATOM 0 HG2 LYS A 100 -13.950 3.003 5.976 1.00 23.14 H new ATOM 0 HG3 LYS A 100 -12.249 3.404 5.855 1.00 23.14 H new ATOM 0 HD2 LYS A 100 -12.702 5.054 4.085 1.00 32.24 H new ATOM 0 HD3 LYS A 100 -14.385 4.572 4.009 1.00 32.24 H new ATOM 0 HE2 LYS A 100 -13.049 5.820 6.454 1.00 14.40 H new ATOM 0 HE3 LYS A 100 -14.019 6.701 5.291 1.00 14.40 H new ATOM 0 HZ1 LYS A 100 -15.430 6.170 7.077 1.00 12.25 H new ATOM 0 HZ2 LYS A 100 -15.864 5.096 5.835 1.00 12.25 H new ATOM 0 HZ3 LYS A 100 -14.914 4.554 7.133 1.00 12.25 H new ATOM 1646 N LYS A 101 -14.448 -0.615 5.185 1.00 73.45 N ATOM 1647 CA LYS A 101 -15.427 -1.325 6.049 1.00 2.21 C ATOM 1648 C LYS A 101 -14.743 -2.394 6.925 1.00 1.34 C ATOM 1649 O LYS A 101 -15.342 -2.877 7.877 1.00 54.33 O ATOM 1650 CB LYS A 101 -16.568 -1.973 5.221 1.00 12.35 C ATOM 1651 CG LYS A 101 -16.126 -3.048 4.203 1.00 13.45 C ATOM 1652 CD LYS A 101 -17.309 -3.833 3.588 1.00 12.20 C ATOM 1653 CE LYS A 101 -18.377 -2.929 2.953 1.00 40.05 C ATOM 1654 NZ LYS A 101 -17.814 -2.055 1.888 1.00 60.32 N ATOM 0 H LYS A 101 -14.539 -0.828 4.192 1.00 73.45 H new ATOM 0 HA LYS A 101 -15.865 -0.570 6.702 1.00 2.21 H new ATOM 0 HB2 LYS A 101 -17.283 -2.423 5.910 1.00 12.35 H new ATOM 0 HB3 LYS A 101 -17.096 -1.185 4.684 1.00 12.35 H new ATOM 0 HG2 LYS A 101 -15.561 -2.570 3.403 1.00 13.45 H new ATOM 0 HG3 LYS A 101 -15.451 -3.748 4.695 1.00 13.45 H new ATOM 0 HD2 LYS A 101 -16.927 -4.518 2.831 1.00 12.20 H new ATOM 0 HD3 LYS A 101 -17.774 -4.442 4.363 1.00 12.20 H new ATOM 0 HE2 LYS A 101 -19.170 -3.547 2.532 1.00 40.05 H new ATOM 0 HE3 LYS A 101 -18.832 -2.310 3.726 1.00 40.05 H new ATOM 0 HZ1 LYS A 101 -18.546 -1.393 1.559 1.00 60.32 H new ATOM 0 HZ2 LYS A 101 -17.008 -1.519 2.269 1.00 60.32 H new ATOM 0 HZ3 LYS A 101 -17.494 -2.641 1.091 1.00 60.32 H new ATOM 1668 N LYS A 102 -13.499 -2.759 6.577 1.00 33.13 N ATOM 1669 CA LYS A 102 -12.665 -3.687 7.373 1.00 41.34 C ATOM 1670 C LYS A 102 -11.801 -2.937 8.408 1.00 50.41 C ATOM 1671 O LYS A 102 -11.016 -3.569 9.135 1.00 44.24 O ATOM 1672 CB LYS A 102 -11.754 -4.500 6.431 1.00 44.44 C ATOM 1673 CG LYS A 102 -12.471 -5.552 5.564 1.00 73.43 C ATOM 1674 CD LYS A 102 -11.475 -6.324 4.660 1.00 34.40 C ATOM 1675 CE LYS A 102 -12.005 -7.672 4.189 1.00 51.22 C ATOM 1676 NZ LYS A 102 -12.222 -8.603 5.331 1.00 55.12 N ATOM 0 H LYS A 102 -13.037 -2.420 5.733 1.00 33.13 H new ATOM 0 HA LYS A 102 -13.334 -4.354 7.917 1.00 41.34 H new ATOM 0 HB2 LYS A 102 -11.230 -3.807 5.773 1.00 44.44 H new ATOM 0 HB3 LYS A 102 -10.996 -5.004 7.031 1.00 44.44 H new ATOM 0 HG2 LYS A 102 -12.999 -6.256 6.208 1.00 73.43 H new ATOM 0 HG3 LYS A 102 -13.222 -5.062 4.944 1.00 73.43 H new ATOM 0 HD2 LYS A 102 -11.236 -5.712 3.790 1.00 34.40 H new ATOM 0 HD3 LYS A 102 -10.545 -6.479 5.206 1.00 34.40 H new ATOM 0 HE2 LYS A 102 -12.943 -7.528 3.653 1.00 51.22 H new ATOM 0 HE3 LYS A 102 -11.300 -8.116 3.486 1.00 51.22 H new ATOM 0 HZ1 LYS A 102 -12.267 -9.580 4.978 1.00 55.12 H new ATOM 0 HZ2 LYS A 102 -11.436 -8.514 6.006 1.00 55.12 H new ATOM 0 HZ3 LYS A 102 -13.115 -8.366 5.807 1.00 55.12 H new ATOM 1690 N GLY A 103 -11.940 -1.599 8.462 1.00 33.41 N ATOM 1691 CA GLY A 103 -11.185 -0.760 9.396 1.00 42.43 C ATOM 1692 C GLY A 103 -9.856 -0.281 8.835 1.00 32.35 C ATOM 1693 O GLY A 103 -8.993 0.180 9.595 1.00 40.45 O ATOM 0 H GLY A 103 -12.577 -1.077 7.860 1.00 33.41 H new ATOM 0 HA2 GLY A 103 -11.790 0.105 9.667 1.00 42.43 H new ATOM 0 HA3 GLY A 103 -11.003 -1.321 10.312 1.00 42.43 H new ATOM 1697 N TYR A 104 -9.671 -0.401 7.503 1.00 15.33 N ATOM 1698 CA TYR A 104 -8.453 0.073 6.824 1.00 54.25 C ATOM 1699 C TYR A 104 -8.645 1.541 6.434 1.00 3.52 C ATOM 1700 O TYR A 104 -9.666 1.886 5.830 1.00 54.12 O ATOM 1701 CB TYR A 104 -8.138 -0.770 5.555 1.00 11.30 C ATOM 1702 CG TYR A 104 -8.115 -2.295 5.771 1.00 14.22 C ATOM 1703 CD1 TYR A 104 -7.664 -2.863 6.969 1.00 23.12 C ATOM 1704 CD2 TYR A 104 -8.558 -3.172 4.775 1.00 11.24 C ATOM 1705 CE1 TYR A 104 -7.668 -4.228 7.155 1.00 33.54 C ATOM 1706 CE2 TYR A 104 -8.564 -4.531 4.969 1.00 2.14 C ATOM 1707 CZ TYR A 104 -8.119 -5.055 6.156 1.00 72.11 C ATOM 1708 OH TYR A 104 -8.143 -6.417 6.347 1.00 33.13 O ATOM 0 H TYR A 104 -10.355 -0.825 6.877 1.00 15.33 H new ATOM 0 HA TYR A 104 -7.611 -0.034 7.508 1.00 54.25 H new ATOM 0 HB2 TYR A 104 -8.880 -0.538 4.791 1.00 11.30 H new ATOM 0 HB3 TYR A 104 -7.169 -0.460 5.163 1.00 11.30 H new ATOM 0 HD1 TYR A 104 -7.307 -2.220 7.760 1.00 23.12 H new ATOM 0 HD2 TYR A 104 -8.903 -2.771 3.833 1.00 11.24 H new ATOM 0 HE1 TYR A 104 -7.317 -4.647 8.086 1.00 33.54 H new ATOM 0 HE2 TYR A 104 -8.919 -5.187 4.188 1.00 2.14 H new ATOM 0 HH TYR A 104 -8.281 -6.612 7.297 1.00 33.13 H new ATOM 1718 N ASP A 105 -7.688 2.402 6.795 1.00 63.43 N ATOM 1719 CA ASP A 105 -7.717 3.809 6.389 1.00 21.01 C ATOM 1720 C ASP A 105 -7.257 3.888 4.923 1.00 15.34 C ATOM 1721 O ASP A 105 -6.069 3.703 4.622 1.00 61.51 O ATOM 1722 CB ASP A 105 -6.821 4.661 7.313 1.00 74.44 C ATOM 1723 CG ASP A 105 -6.952 6.194 7.153 1.00 64.33 C ATOM 1724 OD1 ASP A 105 -7.510 6.689 6.152 1.00 63.25 O ATOM 1725 OD2 ASP A 105 -6.467 6.922 8.041 1.00 23.35 O ATOM 0 H ASP A 105 -6.883 2.148 7.368 1.00 63.43 H new ATOM 0 HA ASP A 105 -8.727 4.210 6.476 1.00 21.01 H new ATOM 0 HB2 ASP A 105 -7.048 4.402 8.347 1.00 74.44 H new ATOM 0 HB3 ASP A 105 -5.782 4.384 7.136 1.00 74.44 H new ATOM 1730 N VAL A 106 -8.224 4.112 4.023 1.00 63.34 N ATOM 1731 CA VAL A 106 -8.004 4.124 2.578 1.00 51.20 C ATOM 1732 C VAL A 106 -7.905 5.577 2.089 1.00 51.51 C ATOM 1733 O VAL A 106 -8.532 6.477 2.655 1.00 74.20 O ATOM 1734 CB VAL A 106 -9.162 3.364 1.821 1.00 24.50 C ATOM 1735 CG1 VAL A 106 -8.850 3.187 0.312 1.00 35.24 C ATOM 1736 CG2 VAL A 106 -9.439 2.003 2.486 1.00 74.34 C ATOM 0 H VAL A 106 -9.193 4.292 4.286 1.00 63.34 H new ATOM 0 HA VAL A 106 -7.071 3.605 2.361 1.00 51.20 H new ATOM 0 HB VAL A 106 -10.060 3.978 1.894 1.00 24.50 H new ATOM 0 HG11 VAL A 106 -9.673 2.659 -0.170 1.00 35.24 H new ATOM 0 HG12 VAL A 106 -8.726 4.166 -0.151 1.00 35.24 H new ATOM 0 HG13 VAL A 106 -7.932 2.611 0.195 1.00 35.24 H new ATOM 0 HG21 VAL A 106 -10.240 1.493 1.951 1.00 74.34 H new ATOM 0 HG22 VAL A 106 -8.536 1.393 2.455 1.00 74.34 H new ATOM 0 HG23 VAL A 106 -9.737 2.159 3.523 1.00 74.34 H new ATOM 1746 N TYR A 107 -7.071 5.791 1.072 1.00 43.14 N ATOM 1747 CA TYR A 107 -6.910 7.067 0.381 1.00 42.03 C ATOM 1748 C TYR A 107 -7.064 6.789 -1.114 1.00 32.24 C ATOM 1749 O TYR A 107 -6.619 5.742 -1.603 1.00 24.52 O ATOM 1750 CB TYR A 107 -5.512 7.667 0.668 1.00 45.40 C ATOM 1751 CG TYR A 107 -5.198 7.844 2.162 1.00 4.23 C ATOM 1752 CD1 TYR A 107 -5.865 8.802 2.932 1.00 34.43 C ATOM 1753 CD2 TYR A 107 -4.250 7.044 2.804 1.00 33.42 C ATOM 1754 CE1 TYR A 107 -5.599 8.946 4.278 1.00 61.42 C ATOM 1755 CE2 TYR A 107 -3.979 7.193 4.151 1.00 2.52 C ATOM 1756 CZ TYR A 107 -4.655 8.140 4.882 1.00 63.11 C ATOM 1757 OH TYR A 107 -4.396 8.280 6.226 1.00 31.12 O ATOM 0 H TYR A 107 -6.471 5.057 0.696 1.00 43.14 H new ATOM 0 HA TYR A 107 -7.654 7.786 0.725 1.00 42.03 H new ATOM 0 HB2 TYR A 107 -4.754 7.023 0.223 1.00 45.40 H new ATOM 0 HB3 TYR A 107 -5.437 8.636 0.175 1.00 45.40 H new ATOM 0 HD1 TYR A 107 -6.601 9.440 2.465 1.00 34.43 H new ATOM 0 HD2 TYR A 107 -3.718 6.294 2.237 1.00 33.42 H new ATOM 0 HE1 TYR A 107 -6.128 9.688 4.858 1.00 61.42 H new ATOM 0 HE2 TYR A 107 -3.239 6.567 4.627 1.00 2.52 H new ATOM 0 HH TYR A 107 -3.707 7.637 6.495 1.00 31.12 H new ATOM 1767 N THR A 108 -7.689 7.712 -1.833 1.00 72.33 N ATOM 1768 CA THR A 108 -7.908 7.592 -3.277 1.00 3.34 C ATOM 1769 C THR A 108 -6.998 8.583 -4.003 1.00 44.20 C ATOM 1770 O THR A 108 -6.651 9.642 -3.456 1.00 22.33 O ATOM 1771 CB THR A 108 -9.409 7.845 -3.640 1.00 10.40 C ATOM 1772 OG1 THR A 108 -9.818 9.156 -3.197 1.00 51.54 O ATOM 1773 CG2 THR A 108 -10.327 6.775 -3.011 1.00 75.11 C ATOM 0 H THR A 108 -8.063 8.572 -1.432 1.00 72.33 H new ATOM 0 HA THR A 108 -7.664 6.578 -3.594 1.00 3.34 H new ATOM 0 HB THR A 108 -9.502 7.783 -4.724 1.00 10.40 H new ATOM 0 HG1 THR A 108 -10.758 9.302 -3.432 1.00 51.54 H new ATOM 0 HG21 THR A 108 -11.363 6.979 -3.282 1.00 75.11 H new ATOM 0 HG22 THR A 108 -10.043 5.789 -3.380 1.00 75.11 H new ATOM 0 HG23 THR A 108 -10.224 6.800 -1.926 1.00 75.11 H new ATOM 1781 N SER A 109 -6.601 8.225 -5.224 1.00 34.20 N ATOM 1782 CA SER A 109 -5.684 9.025 -6.037 1.00 24.21 C ATOM 1783 C SER A 109 -5.969 8.803 -7.517 1.00 73.20 C ATOM 1784 O SER A 109 -6.154 7.664 -7.938 1.00 31.43 O ATOM 1785 CB SER A 109 -4.221 8.658 -5.681 1.00 2.32 C ATOM 1786 OG SER A 109 -4.035 7.264 -5.550 1.00 53.53 O ATOM 0 H SER A 109 -6.908 7.366 -5.680 1.00 34.20 H new ATOM 0 HA SER A 109 -5.833 10.084 -5.825 1.00 24.21 H new ATOM 0 HB2 SER A 109 -3.554 9.040 -6.454 1.00 2.32 H new ATOM 0 HB3 SER A 109 -3.942 9.149 -4.749 1.00 2.32 H new ATOM 0 HG SER A 109 -3.438 7.083 -4.794 1.00 53.53 H new ATOM 1792 N ARG A 110 -6.018 9.895 -8.295 1.00 21.42 N ATOM 1793 CA ARG A 110 -6.261 9.814 -9.748 1.00 75.14 C ATOM 1794 C ARG A 110 -4.943 9.552 -10.485 1.00 3.20 C ATOM 1795 O ARG A 110 -4.946 8.936 -11.558 1.00 71.11 O ATOM 1796 CB ARG A 110 -6.956 11.090 -10.318 1.00 51.44 C ATOM 1797 CG ARG A 110 -8.398 11.363 -9.808 1.00 25.03 C ATOM 1798 CD ARG A 110 -8.447 11.878 -8.361 1.00 51.22 C ATOM 1799 NE ARG A 110 -7.709 13.153 -8.209 1.00 22.42 N ATOM 1800 CZ ARG A 110 -8.039 14.148 -7.365 1.00 30.33 C ATOM 1801 NH1 ARG A 110 -9.100 14.044 -6.558 1.00 22.33 N ATOM 1802 NH2 ARG A 110 -7.312 15.265 -7.359 1.00 65.13 N ATOM 0 H ARG A 110 -5.893 10.845 -7.945 1.00 21.42 H new ATOM 0 HA ARG A 110 -6.947 8.983 -9.912 1.00 75.14 H new ATOM 0 HB2 ARG A 110 -6.337 11.955 -10.079 1.00 51.44 H new ATOM 0 HB3 ARG A 110 -6.985 11.010 -11.405 1.00 51.44 H new ATOM 0 HG2 ARG A 110 -8.874 12.093 -10.462 1.00 25.03 H new ATOM 0 HG3 ARG A 110 -8.980 10.444 -9.879 1.00 25.03 H new ATOM 0 HD2 ARG A 110 -9.485 12.020 -8.060 1.00 51.22 H new ATOM 0 HD3 ARG A 110 -8.021 11.129 -7.693 1.00 51.22 H new ATOM 0 HE ARG A 110 -6.883 13.288 -8.792 1.00 22.42 H new ATOM 0 HH11 ARG A 110 -9.674 13.201 -6.576 1.00 22.33 H new ATOM 0 HH12 ARG A 110 -9.336 14.808 -5.924 1.00 22.33 H new ATOM 0 HH21 ARG A 110 -6.516 15.359 -7.989 1.00 65.13 H new ATOM 0 HH22 ARG A 110 -7.552 16.026 -6.724 1.00 65.13 H new ATOM 1816 N ASN A 111 -3.810 10.008 -9.894 1.00 12.34 N ATOM 1817 CA ASN A 111 -2.476 9.819 -10.503 1.00 52.21 C ATOM 1818 C ASN A 111 -1.379 9.803 -9.428 1.00 45.41 C ATOM 1819 O ASN A 111 -1.677 9.867 -8.224 1.00 31.45 O ATOM 1820 CB ASN A 111 -2.202 10.898 -11.600 1.00 75.44 C ATOM 1821 CG ASN A 111 -1.909 12.304 -11.058 1.00 41.21 C ATOM 1822 OD1 ASN A 111 -0.761 12.656 -10.800 1.00 4.24 O ATOM 1823 ND2 ASN A 111 -2.938 13.105 -10.870 1.00 60.22 N ATOM 0 H ASN A 111 -3.796 10.505 -9.003 1.00 12.34 H new ATOM 0 HA ASN A 111 -2.461 8.847 -10.996 1.00 52.21 H new ATOM 0 HB2 ASN A 111 -1.356 10.574 -12.206 1.00 75.44 H new ATOM 0 HB3 ASN A 111 -3.067 10.951 -12.262 1.00 75.44 H new ATOM 0 HD21 ASN A 111 -2.792 14.045 -10.501 1.00 60.22 H new ATOM 0 HD22 ASN A 111 -3.881 12.785 -11.093 1.00 60.22 H new ATOM 1830 N GLU A 112 -0.113 9.713 -9.909 1.00 33.51 N ATOM 1831 CA GLU A 112 1.100 9.574 -9.087 1.00 74.02 C ATOM 1832 C GLU A 112 1.217 10.664 -8.006 1.00 22.41 C ATOM 1833 O GLU A 112 1.624 10.363 -6.893 1.00 11.10 O ATOM 1834 CB GLU A 112 2.360 9.608 -9.994 1.00 20.30 C ATOM 1835 CG GLU A 112 3.689 9.341 -9.256 1.00 13.31 C ATOM 1836 CD GLU A 112 4.913 9.642 -10.125 1.00 30.55 C ATOM 1837 OE1 GLU A 112 5.209 8.861 -11.039 1.00 2.15 O ATOM 1838 OE2 GLU A 112 5.572 10.684 -9.906 1.00 54.52 O ATOM 0 H GLU A 112 0.090 9.737 -10.908 1.00 33.51 H new ATOM 0 HA GLU A 112 1.026 8.615 -8.575 1.00 74.02 H new ATOM 0 HB2 GLU A 112 2.243 8.867 -10.784 1.00 20.30 H new ATOM 0 HB3 GLU A 112 2.417 10.583 -10.478 1.00 20.30 H new ATOM 0 HG2 GLU A 112 3.729 9.952 -8.354 1.00 13.31 H new ATOM 0 HG3 GLU A 112 3.721 8.299 -8.937 1.00 13.31 H new ATOM 1845 N ASP A 113 0.845 11.916 -8.350 1.00 5.43 N ATOM 1846 CA ASP A 113 0.952 13.079 -7.431 1.00 70.53 C ATOM 1847 C ASP A 113 0.121 12.893 -6.153 1.00 54.34 C ATOM 1848 O ASP A 113 0.648 13.061 -5.039 1.00 40.41 O ATOM 1849 CB ASP A 113 0.524 14.392 -8.145 1.00 73.40 C ATOM 1850 CG ASP A 113 1.628 14.984 -9.026 1.00 43.25 C ATOM 1851 OD1 ASP A 113 1.735 14.616 -10.211 1.00 72.41 O ATOM 1852 OD2 ASP A 113 2.408 15.825 -8.527 1.00 11.24 O ATOM 0 H ASP A 113 0.464 12.152 -9.266 1.00 5.43 H new ATOM 0 HA ASP A 113 2.000 13.149 -7.141 1.00 70.53 H new ATOM 0 HB2 ASP A 113 -0.355 14.195 -8.758 1.00 73.40 H new ATOM 0 HB3 ASP A 113 0.232 15.128 -7.396 1.00 73.40 H new ATOM 1857 N GLU A 114 -1.178 12.563 -6.324 1.00 10.52 N ATOM 1858 CA GLU A 114 -2.082 12.315 -5.188 1.00 11.40 C ATOM 1859 C GLU A 114 -1.581 11.129 -4.358 1.00 14.41 C ATOM 1860 O GLU A 114 -1.464 11.228 -3.135 1.00 42.55 O ATOM 1861 CB GLU A 114 -3.541 12.065 -5.641 1.00 53.03 C ATOM 1862 CG GLU A 114 -4.245 13.276 -6.280 1.00 43.14 C ATOM 1863 CD GLU A 114 -3.962 13.427 -7.776 1.00 42.44 C ATOM 1864 OE1 GLU A 114 -4.593 12.695 -8.564 1.00 3.44 O ATOM 1865 OE2 GLU A 114 -3.115 14.258 -8.169 1.00 44.11 O ATOM 0 H GLU A 114 -1.620 12.463 -7.238 1.00 10.52 H new ATOM 0 HA GLU A 114 -2.080 13.216 -4.575 1.00 11.40 H new ATOM 0 HB2 GLU A 114 -3.547 11.242 -6.356 1.00 53.03 H new ATOM 0 HB3 GLU A 114 -4.122 11.741 -4.778 1.00 53.03 H new ATOM 0 HG2 GLU A 114 -5.320 13.182 -6.129 1.00 43.14 H new ATOM 0 HG3 GLU A 114 -3.929 14.183 -5.765 1.00 43.14 H new ATOM 1872 N ALA A 115 -1.221 10.046 -5.070 1.00 45.54 N ATOM 1873 CA ALA A 115 -0.728 8.790 -4.473 1.00 72.21 C ATOM 1874 C ALA A 115 0.510 9.025 -3.607 1.00 22.31 C ATOM 1875 O ALA A 115 0.617 8.497 -2.501 1.00 35.51 O ATOM 1876 CB ALA A 115 -0.383 7.798 -5.584 1.00 52.43 C ATOM 0 H ALA A 115 -1.265 10.017 -6.089 1.00 45.54 H new ATOM 0 HA ALA A 115 -1.517 8.389 -3.837 1.00 72.21 H new ATOM 0 HB1 ALA A 115 -0.019 6.870 -5.143 1.00 52.43 H new ATOM 0 HB2 ALA A 115 -1.274 7.592 -6.178 1.00 52.43 H new ATOM 0 HB3 ALA A 115 0.390 8.223 -6.224 1.00 52.43 H new ATOM 1882 N LYS A 116 1.408 9.865 -4.139 1.00 2.04 N ATOM 1883 CA LYS A 116 2.702 10.203 -3.536 1.00 23.12 C ATOM 1884 C LYS A 116 2.517 11.015 -2.252 1.00 52.02 C ATOM 1885 O LYS A 116 3.212 10.776 -1.264 1.00 33.12 O ATOM 1886 CB LYS A 116 3.536 11.000 -4.568 1.00 52.21 C ATOM 1887 CG LYS A 116 4.948 11.416 -4.109 1.00 64.31 C ATOM 1888 CD LYS A 116 5.745 12.111 -5.241 1.00 14.04 C ATOM 1889 CE LYS A 116 5.928 11.220 -6.488 1.00 4.32 C ATOM 1890 NZ LYS A 116 6.739 11.899 -7.539 1.00 34.43 N ATOM 0 H LYS A 116 1.248 10.341 -5.027 1.00 2.04 H new ATOM 0 HA LYS A 116 3.225 9.285 -3.267 1.00 23.12 H new ATOM 0 HB2 LYS A 116 3.630 10.400 -5.473 1.00 52.21 H new ATOM 0 HB3 LYS A 116 2.982 11.899 -4.838 1.00 52.21 H new ATOM 0 HG2 LYS A 116 4.868 12.090 -3.256 1.00 64.31 H new ATOM 0 HG3 LYS A 116 5.493 10.535 -3.770 1.00 64.31 H new ATOM 0 HD2 LYS A 116 5.231 13.028 -5.529 1.00 14.04 H new ATOM 0 HD3 LYS A 116 6.725 12.401 -4.862 1.00 14.04 H new ATOM 0 HE2 LYS A 116 6.413 10.287 -6.200 1.00 4.32 H new ATOM 0 HE3 LYS A 116 4.951 10.959 -6.895 1.00 4.32 H new ATOM 0 HZ1 LYS A 116 6.443 11.563 -8.477 1.00 34.43 H new ATOM 0 HZ2 LYS A 116 6.595 12.927 -7.478 1.00 34.43 H new ATOM 0 HZ3 LYS A 116 7.746 11.681 -7.395 1.00 34.43 H new ATOM 1904 N LYS A 117 1.567 11.972 -2.287 1.00 30.23 N ATOM 1905 CA LYS A 117 1.262 12.840 -1.148 1.00 13.23 C ATOM 1906 C LYS A 117 0.671 11.993 -0.004 1.00 35.44 C ATOM 1907 O LYS A 117 1.094 12.127 1.145 1.00 53.41 O ATOM 1908 CB LYS A 117 0.293 13.972 -1.617 1.00 74.44 C ATOM 1909 CG LYS A 117 0.287 15.251 -0.744 1.00 41.12 C ATOM 1910 CD LYS A 117 -0.484 15.113 0.595 1.00 14.34 C ATOM 1911 CE LYS A 117 -0.380 16.374 1.472 1.00 15.52 C ATOM 1912 NZ LYS A 117 1.015 16.637 1.918 1.00 71.15 N ATOM 0 H LYS A 117 0.994 12.159 -3.110 1.00 30.23 H new ATOM 0 HA LYS A 117 2.166 13.315 -0.766 1.00 13.23 H new ATOM 0 HB2 LYS A 117 0.556 14.251 -2.637 1.00 74.44 H new ATOM 0 HB3 LYS A 117 -0.720 13.570 -1.647 1.00 74.44 H new ATOM 0 HG2 LYS A 117 1.318 15.533 -0.528 1.00 41.12 H new ATOM 0 HG3 LYS A 117 -0.152 16.066 -1.319 1.00 41.12 H new ATOM 0 HD2 LYS A 117 -1.534 14.906 0.386 1.00 14.34 H new ATOM 0 HD3 LYS A 117 -0.095 14.258 1.147 1.00 14.34 H new ATOM 0 HE2 LYS A 117 -0.749 17.234 0.913 1.00 15.52 H new ATOM 0 HE3 LYS A 117 -1.023 16.261 2.345 1.00 15.52 H new ATOM 0 HZ1 LYS A 117 1.069 16.558 2.954 1.00 71.15 H new ATOM 0 HZ2 LYS A 117 1.655 15.942 1.484 1.00 71.15 H new ATOM 0 HZ3 LYS A 117 1.297 17.595 1.628 1.00 71.15 H new ATOM 1926 N LYS A 118 -0.265 11.082 -0.357 1.00 2.43 N ATOM 1927 CA LYS A 118 -0.925 10.177 0.614 1.00 44.22 C ATOM 1928 C LYS A 118 0.089 9.206 1.236 1.00 44.45 C ATOM 1929 O LYS A 118 0.023 8.901 2.435 1.00 5.31 O ATOM 1930 CB LYS A 118 -2.052 9.355 -0.076 1.00 60.53 C ATOM 1931 CG LYS A 118 -3.166 10.191 -0.731 1.00 25.24 C ATOM 1932 CD LYS A 118 -3.895 11.109 0.274 1.00 43.33 C ATOM 1933 CE LYS A 118 -4.979 11.966 -0.390 1.00 71.22 C ATOM 1934 NZ LYS A 118 -5.635 12.858 0.599 1.00 11.45 N ATOM 0 H LYS A 118 -0.583 10.953 -1.318 1.00 2.43 H new ATOM 0 HA LYS A 118 -1.356 10.799 1.398 1.00 44.22 H new ATOM 0 HB2 LYS A 118 -1.601 8.719 -0.838 1.00 60.53 H new ATOM 0 HB3 LYS A 118 -2.503 8.694 0.664 1.00 60.53 H new ATOM 0 HG2 LYS A 118 -2.737 10.800 -1.527 1.00 25.24 H new ATOM 0 HG3 LYS A 118 -3.890 9.522 -1.196 1.00 25.24 H new ATOM 0 HD2 LYS A 118 -4.347 10.499 1.056 1.00 43.33 H new ATOM 0 HD3 LYS A 118 -3.168 11.761 0.759 1.00 43.33 H new ATOM 0 HE2 LYS A 118 -4.537 12.564 -1.187 1.00 71.22 H new ATOM 0 HE3 LYS A 118 -5.725 11.320 -0.853 1.00 71.22 H new ATOM 0 HZ1 LYS A 118 -6.364 13.427 0.123 1.00 11.45 H new ATOM 0 HZ2 LYS A 118 -6.076 12.284 1.346 1.00 11.45 H new ATOM 0 HZ3 LYS A 118 -4.925 13.489 1.022 1.00 11.45 H new ATOM 1948 N LEU A 119 1.012 8.731 0.381 1.00 32.21 N ATOM 1949 CA LEU A 119 2.041 7.747 0.738 1.00 33.04 C ATOM 1950 C LEU A 119 2.997 8.355 1.766 1.00 22.11 C ATOM 1951 O LEU A 119 3.273 7.748 2.809 1.00 3.25 O ATOM 1952 CB LEU A 119 2.787 7.279 -0.560 1.00 14.03 C ATOM 1953 CG LEU A 119 3.299 5.806 -0.583 1.00 0.11 C ATOM 1954 CD1 LEU A 119 3.807 5.417 -1.988 1.00 23.21 C ATOM 1955 CD2 LEU A 119 4.381 5.560 0.479 1.00 34.33 C ATOM 0 H LEU A 119 1.062 9.027 -0.594 1.00 32.21 H new ATOM 0 HA LEU A 119 1.585 6.868 1.193 1.00 33.04 H new ATOM 0 HB2 LEU A 119 2.115 7.419 -1.407 1.00 14.03 H new ATOM 0 HB3 LEU A 119 3.641 7.938 -0.718 1.00 14.03 H new ATOM 0 HG LEU A 119 2.451 5.166 -0.338 1.00 0.11 H new ATOM 0 HD11 LEU A 119 4.158 4.385 -1.975 1.00 23.21 H new ATOM 0 HD12 LEU A 119 2.995 5.515 -2.709 1.00 23.21 H new ATOM 0 HD13 LEU A 119 4.627 6.076 -2.274 1.00 23.21 H new ATOM 0 HD21 LEU A 119 4.710 4.522 0.429 1.00 34.33 H new ATOM 0 HD22 LEU A 119 5.229 6.219 0.294 1.00 34.33 H new ATOM 0 HD23 LEU A 119 3.972 5.764 1.469 1.00 34.33 H new ATOM 1967 N LYS A 120 3.463 9.575 1.464 1.00 34.42 N ATOM 1968 CA LYS A 120 4.403 10.292 2.324 1.00 23.45 C ATOM 1969 C LYS A 120 3.745 10.729 3.630 1.00 22.21 C ATOM 1970 O LYS A 120 4.400 10.711 4.652 1.00 72.53 O ATOM 1971 CB LYS A 120 5.040 11.495 1.591 1.00 23.41 C ATOM 1972 CG LYS A 120 6.006 11.069 0.466 1.00 71.10 C ATOM 1973 CD LYS A 120 6.855 12.237 -0.064 1.00 2.12 C ATOM 1974 CE LYS A 120 7.913 11.767 -1.063 1.00 70.15 C ATOM 1975 NZ LYS A 120 8.828 12.863 -1.481 1.00 4.23 N ATOM 0 H LYS A 120 3.199 10.086 0.622 1.00 34.42 H new ATOM 0 HA LYS A 120 5.205 9.597 2.574 1.00 23.45 H new ATOM 0 HB2 LYS A 120 4.250 12.117 1.169 1.00 23.41 H new ATOM 0 HB3 LYS A 120 5.579 12.110 2.312 1.00 23.41 H new ATOM 0 HG2 LYS A 120 6.666 10.285 0.837 1.00 71.10 H new ATOM 0 HG3 LYS A 120 5.433 10.640 -0.356 1.00 71.10 H new ATOM 0 HD2 LYS A 120 6.205 12.970 -0.542 1.00 2.12 H new ATOM 0 HD3 LYS A 120 7.343 12.739 0.771 1.00 2.12 H new ATOM 0 HE2 LYS A 120 8.496 10.961 -0.617 1.00 70.15 H new ATOM 0 HE3 LYS A 120 7.419 11.354 -1.943 1.00 70.15 H new ATOM 0 HZ1 LYS A 120 9.437 12.530 -2.255 1.00 4.23 H new ATOM 0 HZ2 LYS A 120 8.269 13.677 -1.806 1.00 4.23 H new ATOM 0 HZ3 LYS A 120 9.419 13.149 -0.674 1.00 4.23 H new ATOM 1989 N GLU A 121 2.441 11.090 3.587 1.00 42.15 N ATOM 1990 CA GLU A 121 1.666 11.424 4.811 1.00 54.32 C ATOM 1991 C GLU A 121 1.599 10.226 5.769 1.00 4.14 C ATOM 1992 O GLU A 121 1.800 10.384 6.972 1.00 13.34 O ATOM 1993 CB GLU A 121 0.225 11.909 4.464 1.00 4.50 C ATOM 1994 CG GLU A 121 0.146 13.357 3.936 1.00 10.30 C ATOM 1995 CD GLU A 121 0.512 14.472 4.948 1.00 44.14 C ATOM 1996 OE1 GLU A 121 0.715 14.215 6.153 1.00 41.12 O ATOM 1997 OE2 GLU A 121 0.565 15.641 4.533 1.00 13.03 O ATOM 0 H GLU A 121 1.903 11.158 2.723 1.00 42.15 H new ATOM 0 HA GLU A 121 2.191 12.240 5.307 1.00 54.32 H new ATOM 0 HB2 GLU A 121 -0.200 11.239 3.716 1.00 4.50 H new ATOM 0 HB3 GLU A 121 -0.397 11.826 5.355 1.00 4.50 H new ATOM 0 HG2 GLU A 121 0.808 13.445 3.074 1.00 10.30 H new ATOM 0 HG3 GLU A 121 -0.868 13.537 3.579 1.00 10.30 H new ATOM 2004 N ALA A 122 1.343 9.040 5.201 1.00 4.22 N ATOM 2005 CA ALA A 122 1.268 7.778 5.960 1.00 32.01 C ATOM 2006 C ALA A 122 2.646 7.404 6.550 1.00 72.11 C ATOM 2007 O ALA A 122 2.729 6.807 7.629 1.00 24.55 O ATOM 2008 CB ALA A 122 0.728 6.667 5.052 1.00 42.41 C ATOM 0 H ALA A 122 1.181 8.925 4.200 1.00 4.22 H new ATOM 0 HA ALA A 122 0.584 7.906 6.799 1.00 32.01 H new ATOM 0 HB1 ALA A 122 0.672 5.734 5.613 1.00 42.41 H new ATOM 0 HB2 ALA A 122 -0.267 6.938 4.698 1.00 42.41 H new ATOM 0 HB3 ALA A 122 1.394 6.539 4.199 1.00 42.41 H new ATOM 2014 N LEU A 123 3.720 7.789 5.831 1.00 11.35 N ATOM 2015 CA LEU A 123 5.116 7.604 6.277 1.00 21.43 C ATOM 2016 C LEU A 123 5.515 8.639 7.369 1.00 45.22 C ATOM 2017 O LEU A 123 6.203 8.291 8.338 1.00 4.34 O ATOM 2018 CB LEU A 123 6.076 7.669 5.056 1.00 74.41 C ATOM 2019 CG LEU A 123 6.051 6.434 4.095 1.00 13.34 C ATOM 2020 CD1 LEU A 123 6.925 6.667 2.848 1.00 14.54 C ATOM 2021 CD2 LEU A 123 6.482 5.146 4.831 1.00 54.21 C ATOM 0 H LEU A 123 3.643 8.240 4.919 1.00 11.35 H new ATOM 0 HA LEU A 123 5.200 6.618 6.734 1.00 21.43 H new ATOM 0 HB2 LEU A 123 5.834 8.560 4.476 1.00 74.41 H new ATOM 0 HB3 LEU A 123 7.094 7.796 5.426 1.00 74.41 H new ATOM 0 HG LEU A 123 5.022 6.307 3.760 1.00 13.34 H new ATOM 0 HD11 LEU A 123 6.883 5.788 2.205 1.00 14.54 H new ATOM 0 HD12 LEU A 123 6.556 7.535 2.302 1.00 14.54 H new ATOM 0 HD13 LEU A 123 7.956 6.843 3.154 1.00 14.54 H new ATOM 0 HD21 LEU A 123 6.455 4.305 4.138 1.00 54.21 H new ATOM 0 HD22 LEU A 123 7.495 5.268 5.215 1.00 54.21 H new ATOM 0 HD23 LEU A 123 5.801 4.955 5.660 1.00 54.21 H new ATOM 2033 N GLU A 124 5.046 9.888 7.218 1.00 64.41 N ATOM 2034 CA GLU A 124 5.334 10.991 8.167 1.00 13.12 C ATOM 2035 C GLU A 124 4.695 10.692 9.535 1.00 22.44 C ATOM 2036 O GLU A 124 5.340 10.828 10.581 1.00 11.01 O ATOM 2037 CB GLU A 124 4.776 12.330 7.609 1.00 45.51 C ATOM 2038 CG GLU A 124 5.558 12.927 6.427 1.00 70.52 C ATOM 2039 CD GLU A 124 4.836 14.104 5.769 1.00 72.35 C ATOM 2040 OE1 GLU A 124 4.834 15.216 6.349 1.00 53.23 O ATOM 2041 OE2 GLU A 124 4.264 13.932 4.672 1.00 12.43 O ATOM 0 H GLU A 124 4.455 10.168 6.435 1.00 64.41 H new ATOM 0 HA GLU A 124 6.414 11.076 8.290 1.00 13.12 H new ATOM 0 HB2 GLU A 124 3.743 12.172 7.297 1.00 45.51 H new ATOM 0 HB3 GLU A 124 4.757 13.061 8.417 1.00 45.51 H new ATOM 0 HG2 GLU A 124 6.537 13.257 6.775 1.00 70.52 H new ATOM 0 HG3 GLU A 124 5.729 12.150 5.682 1.00 70.52 H new ATOM 2048 N LYS A 125 3.422 10.256 9.481 1.00 71.12 N ATOM 2049 CA LYS A 125 2.606 9.954 10.668 1.00 54.13 C ATOM 2050 C LYS A 125 3.042 8.632 11.333 1.00 3.42 C ATOM 2051 O LYS A 125 2.852 8.463 12.542 1.00 24.43 O ATOM 2052 CB LYS A 125 1.094 9.924 10.296 1.00 20.24 C ATOM 2053 CG LYS A 125 0.524 11.263 9.757 1.00 12.31 C ATOM 2054 CD LYS A 125 0.749 12.457 10.717 1.00 55.24 C ATOM 2055 CE LYS A 125 0.145 13.771 10.191 1.00 70.34 C ATOM 2056 NZ LYS A 125 0.714 14.167 8.883 1.00 3.11 N ATOM 0 H LYS A 125 2.928 10.103 8.602 1.00 71.12 H new ATOM 0 HA LYS A 125 2.765 10.749 11.396 1.00 54.13 H new ATOM 0 HB2 LYS A 125 0.936 9.150 9.545 1.00 20.24 H new ATOM 0 HB3 LYS A 125 0.524 9.633 11.178 1.00 20.24 H new ATOM 0 HG2 LYS A 125 0.988 11.486 8.796 1.00 12.31 H new ATOM 0 HG3 LYS A 125 -0.545 11.148 9.576 1.00 12.31 H new ATOM 0 HD2 LYS A 125 0.310 12.224 11.687 1.00 55.24 H new ATOM 0 HD3 LYS A 125 1.819 12.593 10.875 1.00 55.24 H new ATOM 0 HE2 LYS A 125 -0.935 13.659 10.096 1.00 70.34 H new ATOM 0 HE3 LYS A 125 0.321 14.565 10.917 1.00 70.34 H new ATOM 0 HZ1 LYS A 125 0.799 15.203 8.841 1.00 3.11 H new ATOM 0 HZ2 LYS A 125 1.654 13.738 8.769 1.00 3.11 H new ATOM 0 HZ3 LYS A 125 0.089 13.839 8.119 1.00 3.11 H new ATOM 2070 N SER A 126 3.642 7.705 10.541 1.00 45.22 N ATOM 2071 CA SER A 126 4.229 6.453 11.084 1.00 55.03 C ATOM 2072 C SER A 126 5.571 6.728 11.791 1.00 72.43 C ATOM 2073 O SER A 126 6.102 5.858 12.490 1.00 30.42 O ATOM 2074 CB SER A 126 4.409 5.379 9.983 1.00 2.43 C ATOM 2075 OG SER A 126 5.245 5.801 8.928 1.00 14.14 O ATOM 0 H SER A 126 3.731 7.801 9.529 1.00 45.22 H new ATOM 0 HA SER A 126 3.525 6.063 11.819 1.00 55.03 H new ATOM 0 HB2 SER A 126 4.826 4.476 10.430 1.00 2.43 H new ATOM 0 HB3 SER A 126 3.432 5.113 9.580 1.00 2.43 H new ATOM 0 HG SER A 126 5.454 6.752 9.037 1.00 14.14 H new ATOM 2081 N GLY A 127 6.116 7.936 11.579 1.00 34.30 N ATOM 2082 CA GLY A 127 7.281 8.413 12.318 1.00 52.45 C ATOM 2083 C GLY A 127 8.587 8.285 11.554 1.00 1.24 C ATOM 2084 O GLY A 127 9.653 8.379 12.167 1.00 13.15 O ATOM 0 H GLY A 127 5.759 8.602 10.893 1.00 34.30 H new ATOM 0 HA2 GLY A 127 7.128 9.459 12.584 1.00 52.45 H new ATOM 0 HA3 GLY A 127 7.361 7.855 13.251 1.00 52.45 H new ATOM 2088 N SER A 128 8.535 8.043 10.221 1.00 32.32 N ATOM 2089 CA SER A 128 9.755 8.061 9.392 1.00 20.11 C ATOM 2090 C SER A 128 10.197 9.522 9.187 1.00 12.22 C ATOM 2091 O SER A 128 11.388 9.821 9.197 1.00 61.43 O ATOM 2092 CB SER A 128 9.559 7.332 8.038 1.00 40.14 C ATOM 2093 OG SER A 128 8.644 8.003 7.196 1.00 31.21 O ATOM 0 H SER A 128 7.677 7.837 9.709 1.00 32.32 H new ATOM 0 HA SER A 128 10.539 7.513 9.915 1.00 20.11 H new ATOM 0 HB2 SER A 128 10.520 7.246 7.531 1.00 40.14 H new ATOM 0 HB3 SER A 128 9.204 6.318 8.222 1.00 40.14 H new ATOM 0 HG SER A 128 7.834 8.223 7.702 1.00 31.21 H new ATOM 2099 N LEU A 129 9.209 10.433 9.021 1.00 33.04 N ATOM 2100 CA LEU A 129 9.448 11.896 9.011 1.00 65.13 C ATOM 2101 C LEU A 129 8.815 12.548 10.249 1.00 10.14 C ATOM 2102 O LEU A 129 8.249 11.859 11.114 1.00 21.33 O ATOM 2103 CB LEU A 129 8.898 12.562 7.717 1.00 20.51 C ATOM 2104 CG LEU A 129 9.559 12.153 6.365 1.00 42.25 C ATOM 2105 CD1 LEU A 129 9.173 13.130 5.229 1.00 22.15 C ATOM 2106 CD2 LEU A 129 11.085 12.020 6.490 1.00 71.24 C ATOM 0 H LEU A 129 8.230 10.177 8.891 1.00 33.04 H new ATOM 0 HA LEU A 129 10.527 12.052 9.033 1.00 65.13 H new ATOM 0 HB2 LEU A 129 7.832 12.342 7.651 1.00 20.51 H new ATOM 0 HB3 LEU A 129 8.995 13.642 7.826 1.00 20.51 H new ATOM 0 HG LEU A 129 9.169 11.169 6.104 1.00 42.25 H new ATOM 0 HD11 LEU A 129 9.651 12.816 4.301 1.00 22.15 H new ATOM 0 HD12 LEU A 129 8.091 13.128 5.099 1.00 22.15 H new ATOM 0 HD13 LEU A 129 9.505 14.136 5.486 1.00 22.15 H new ATOM 0 HD21 LEU A 129 11.505 11.734 5.526 1.00 71.24 H new ATOM 0 HD22 LEU A 129 11.509 12.974 6.802 1.00 71.24 H new ATOM 0 HD23 LEU A 129 11.324 11.257 7.231 1.00 71.24 H new ATOM 2118 N GLU A 130 8.938 13.887 10.320 1.00 34.50 N ATOM 2119 CA GLU A 130 8.326 14.714 11.375 1.00 64.31 C ATOM 2120 C GLU A 130 6.819 14.883 11.125 1.00 3.14 C ATOM 2121 O GLU A 130 6.312 14.565 10.034 1.00 23.04 O ATOM 2122 CB GLU A 130 9.019 16.105 11.412 1.00 72.34 C ATOM 2123 CG GLU A 130 10.542 16.032 11.618 1.00 2.04 C ATOM 2124 CD GLU A 130 11.234 17.401 11.577 1.00 21.34 C ATOM 2125 OE1 GLU A 130 11.437 17.938 10.468 1.00 23.43 O ATOM 2126 OE2 GLU A 130 11.586 17.949 12.644 1.00 11.41 O ATOM 0 H GLU A 130 9.470 14.429 9.640 1.00 34.50 H new ATOM 0 HA GLU A 130 8.460 14.216 12.335 1.00 64.31 H new ATOM 0 HB2 GLU A 130 8.812 16.629 10.479 1.00 72.34 H new ATOM 0 HB3 GLU A 130 8.581 16.698 12.215 1.00 72.34 H new ATOM 0 HG2 GLU A 130 10.748 15.559 12.578 1.00 2.04 H new ATOM 0 HG3 GLU A 130 10.974 15.393 10.848 1.00 2.04 H new ATOM 2133 N HIS A 131 6.110 15.389 12.141 1.00 70.11 N ATOM 2134 CA HIS A 131 4.687 15.725 12.044 1.00 71.35 C ATOM 2135 C HIS A 131 4.552 17.228 11.761 1.00 75.10 C ATOM 2136 O HIS A 131 4.777 18.059 12.651 1.00 61.42 O ATOM 2137 CB HIS A 131 3.947 15.285 13.334 1.00 44.40 C ATOM 2138 CG HIS A 131 4.024 13.791 13.572 1.00 52.12 C ATOM 2139 ND1 HIS A 131 4.191 13.256 14.827 1.00 71.51 N ATOM 2140 CD2 HIS A 131 3.951 12.776 12.675 1.00 15.11 C ATOM 2141 CE1 HIS A 131 4.216 11.940 14.661 1.00 4.02 C ATOM 2142 NE2 HIS A 131 4.075 11.606 13.375 1.00 1.34 N ATOM 0 H HIS A 131 6.512 15.578 13.059 1.00 70.11 H new ATOM 0 HA HIS A 131 4.218 15.187 11.220 1.00 71.35 H new ATOM 0 HB2 HIS A 131 4.375 15.807 14.190 1.00 44.40 H new ATOM 0 HB3 HIS A 131 2.901 15.585 13.268 1.00 44.40 H new ATOM 0 HD1 HIS A 131 4.278 13.766 15.706 1.00 71.51 H new ATOM 0 HD2 HIS A 131 3.820 12.873 11.607 1.00 15.11 H new ATOM 0 HE1 HIS A 131 4.335 11.228 15.464 1.00 4.02 H new ATOM 2150 N HIS A 132 4.227 17.562 10.491 1.00 51.35 N ATOM 2151 CA HIS A 132 4.175 18.947 9.994 1.00 74.22 C ATOM 2152 C HIS A 132 3.033 19.732 10.676 1.00 12.52 C ATOM 2153 O HIS A 132 1.916 19.224 10.808 1.00 73.50 O ATOM 2154 CB HIS A 132 4.019 18.983 8.444 1.00 73.41 C ATOM 2155 CG HIS A 132 2.691 18.469 7.907 1.00 25.31 C ATOM 2156 ND1 HIS A 132 1.600 19.299 7.775 1.00 2.24 N ATOM 2157 CD2 HIS A 132 2.340 17.229 7.489 1.00 53.25 C ATOM 2158 CE1 HIS A 132 0.630 18.548 7.289 1.00 2.04 C ATOM 2159 NE2 HIS A 132 1.032 17.286 7.101 1.00 23.04 N ATOM 0 H HIS A 132 3.992 16.869 9.780 1.00 51.35 H new ATOM 0 HA HIS A 132 5.120 19.428 10.247 1.00 74.22 H new ATOM 0 HB2 HIS A 132 4.154 20.011 8.106 1.00 73.41 H new ATOM 0 HB3 HIS A 132 4.822 18.394 8.002 1.00 73.41 H new ATOM 0 HD2 HIS A 132 2.977 16.357 7.467 1.00 53.25 H new ATOM 0 HE1 HIS A 132 -0.365 18.907 7.070 1.00 2.04 H new ATOM 0 HE2 HIS A 132 0.470 16.516 6.738 1.00 23.04 H new ATOM 2167 N HIS A 133 3.347 20.948 11.137 1.00 70.13 N ATOM 2168 CA HIS A 133 2.366 21.878 11.738 1.00 51.12 C ATOM 2169 C HIS A 133 1.860 22.853 10.662 1.00 3.21 C ATOM 2170 O HIS A 133 2.647 23.284 9.796 1.00 61.42 O ATOM 2171 CB HIS A 133 2.995 22.649 12.932 1.00 41.42 C ATOM 2172 CG HIS A 133 4.138 23.580 12.582 1.00 41.30 C ATOM 2173 ND1 HIS A 133 4.156 24.915 12.924 1.00 32.13 N ATOM 2174 CD2 HIS A 133 5.314 23.355 11.937 1.00 72.32 C ATOM 2175 CE1 HIS A 133 5.286 25.457 12.516 1.00 51.14 C ATOM 2176 NE2 HIS A 133 6.000 24.536 11.916 1.00 14.34 N ATOM 0 H HIS A 133 4.295 21.324 11.106 1.00 70.13 H new ATOM 0 HA HIS A 133 1.523 21.305 12.124 1.00 51.12 H new ATOM 0 HB2 HIS A 133 2.212 23.231 13.418 1.00 41.42 H new ATOM 0 HB3 HIS A 133 3.352 21.923 13.662 1.00 41.42 H new ATOM 0 HD2 HIS A 133 5.645 22.416 11.519 1.00 72.32 H new ATOM 0 HE1 HIS A 133 5.575 26.488 12.653 1.00 51.14 H new ATOM 0 HE2 HIS A 133 6.920 24.678 11.500 1.00 14.34 H new ATOM 2185 N HIS A 134 0.543 23.176 10.721 1.00 1.20 N ATOM 2186 CA HIS A 134 -0.136 24.076 9.761 1.00 1.24 C ATOM 2187 C HIS A 134 -0.154 23.486 8.331 1.00 1.20 C ATOM 2188 O HIS A 134 0.272 22.338 8.118 1.00 52.33 O ATOM 2189 CB HIS A 134 0.494 25.510 9.798 1.00 54.34 C ATOM 2190 CG HIS A 134 0.162 26.308 11.038 1.00 4.20 C ATOM 2191 ND1 HIS A 134 0.240 25.797 12.316 1.00 12.53 N ATOM 2192 CD2 HIS A 134 -0.266 27.588 11.189 1.00 22.21 C ATOM 2193 CE1 HIS A 134 -0.126 26.718 13.181 1.00 11.40 C ATOM 2194 NE2 HIS A 134 -0.434 27.814 12.531 1.00 54.43 N ATOM 0 H HIS A 134 -0.080 22.815 11.443 1.00 1.20 H new ATOM 0 HA HIS A 134 -1.177 24.167 10.071 1.00 1.24 H new ATOM 0 HB2 HIS A 134 1.577 25.419 9.719 1.00 54.34 H new ATOM 0 HB3 HIS A 134 0.156 26.065 8.923 1.00 54.34 H new ATOM 0 HD2 HIS A 134 -0.442 28.299 10.396 1.00 22.21 H new ATOM 0 HE1 HIS A 134 -0.166 26.592 14.253 1.00 11.40 H new ATOM 0 HE2 HIS A 134 -0.746 28.689 12.953 1.00 54.43 H new ATOM 2203 N HIS A 135 -0.681 24.284 7.368 1.00 70.52 N ATOM 2204 CA HIS A 135 -0.837 23.898 5.936 1.00 74.44 C ATOM 2205 C HIS A 135 -1.922 22.804 5.769 1.00 62.21 C ATOM 2206 O HIS A 135 -2.594 22.425 6.740 1.00 31.21 O ATOM 2207 CB HIS A 135 0.518 23.449 5.289 1.00 21.24 C ATOM 2208 CG HIS A 135 1.625 24.471 5.329 1.00 2.41 C ATOM 2209 ND1 HIS A 135 2.005 25.215 4.232 1.00 34.42 N ATOM 2210 CD2 HIS A 135 2.438 24.872 6.339 1.00 65.12 C ATOM 2211 CE1 HIS A 135 3.003 26.003 4.562 1.00 72.11 C ATOM 2212 NE2 HIS A 135 3.281 25.817 5.830 1.00 64.55 N ATOM 0 H HIS A 135 -1.015 25.228 7.564 1.00 70.52 H new ATOM 0 HA HIS A 135 -1.164 24.790 5.401 1.00 74.44 H new ATOM 0 HB2 HIS A 135 0.861 22.547 5.795 1.00 21.24 H new ATOM 0 HB3 HIS A 135 0.333 23.180 4.249 1.00 21.24 H new ATOM 0 HD2 HIS A 135 2.421 24.510 7.357 1.00 65.12 H new ATOM 0 HE1 HIS A 135 3.510 26.689 3.900 1.00 72.11 H new ATOM 0 HE2 HIS A 135 4.011 26.301 6.353 1.00 64.55 H new ATOM 2221 N HIS A 136 -2.131 22.347 4.524 1.00 54.32 N ATOM 2222 CA HIS A 136 -3.040 21.230 4.220 1.00 73.31 C ATOM 2223 C HIS A 136 -2.239 19.900 4.327 1.00 44.13 C ATOM 2224 O HIS A 136 -1.845 19.316 3.294 1.00 42.44 O ATOM 2225 CB HIS A 136 -3.689 21.440 2.820 1.00 41.33 C ATOM 2226 CG HIS A 136 -4.755 20.425 2.468 1.00 64.22 C ATOM 2227 ND1 HIS A 136 -4.465 19.157 2.005 1.00 41.32 N ATOM 2228 CD2 HIS A 136 -6.109 20.480 2.553 1.00 3.55 C ATOM 2229 CE1 HIS A 136 -5.584 18.488 1.814 1.00 51.04 C ATOM 2230 NE2 HIS A 136 -6.591 19.262 2.143 1.00 50.04 N ATOM 2231 OXT HIS A 136 -1.953 19.472 5.461 1.00 37.03 O ATOM 0 H HIS A 136 -1.675 22.741 3.701 1.00 54.32 H new ATOM 0 HA HIS A 136 -3.861 21.185 4.936 1.00 73.31 H new ATOM 0 HB2 HIS A 136 -4.127 22.437 2.782 1.00 41.33 H new ATOM 0 HB3 HIS A 136 -2.907 21.406 2.061 1.00 41.33 H new ATOM 0 HD1 HIS A 136 -3.527 18.793 1.836 1.00 41.32 H new ATOM 0 HD2 HIS A 136 -6.697 21.324 2.882 1.00 3.55 H new ATOM 0 HE1 HIS A 136 -5.659 17.474 1.449 1.00 51.04 H new TER 2240 HIS A 136