USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 819 hydrogens (34 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 41 THR OG1 : rot -110:sc= -0.578 USER MOD Set 1.2: A 75 CYS SG : rot 157:sc= -1.37 USER MOD Set 2.1: A 37 ASN : amide:sc= 0.758 K(o=1.5,f=0.54) USER MOD Set 2.2: A 74 SER OG : rot -153:sc= 0.707 USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= 0.217 USER MOD Set 3.2: A 40 HIS : no HD1:sc= 0.396 K(o=0.61,f=-5.5!) USER MOD Set 4.1: A 33 ASN : amide:sc= 0 X(o=0.76,f=0.89) USER MOD Set 4.2: A 34 ASN : amide:sc= 0.76 K(o=0.76,f=-0.0025) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -146:sc= 1.24 (180deg=0.892) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00186 USER MOD Single : A 3 ASN : amide:sc= 1.29 K(o=1.3,f=-1.9) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 1.49 (180deg=1.01) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 11 ASN : amide:sc= -0.0957 K(o=-0.096,f=-1.8!) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.28) USER MOD Single : A 14 TYR OH : rot 150:sc= -0.145 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 1.23 K(o=1.2,f=-0.0051) USER MOD Single : A 28 TYR OH : rot -35:sc= 0.00209 USER MOD Single : A 44 SER OG : rot 160:sc= -0.123 USER MOD Single : A 50 GLN : amide:sc= -1.63! C(o=-1.6!,f=-12!) USER MOD Single : A 54 LYS NZ :NH3+ -117:sc= 1.14 (180deg=-0.233) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= 1.28 (180deg=1.1) USER MOD Single : A 63 HIS : no HE2:sc= 0.818 K(o=0.82,f=-5.6!) USER MOD Single : A 67 ASN : amide:sc= 0.163 X(o=0.16,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.046) USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= 1.26 (180deg=0.524) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0918 USER MOD Single : A 79 LYS NZ :NH3+ -135:sc= 1.23 (180deg=0.696) USER MOD Single : A 80 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0.038) USER MOD Single : A 81 MET CE :methyl 157:sc= -0.998 (180deg=-2.28) USER MOD Single : A 84 LYS NZ :NH3+ -176:sc= 2.37 (180deg=2.27) USER MOD Single : A 87 SER OG : rot 180:sc= 0.125 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.283 X(o=0.28,f=-0.019) USER MOD Single : A 92 TYR OH : rot 147:sc= 0.802 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ACO O2B : rot -97:sc= 0.259 USER MOD Single : A 103 ACO OAP : rot 180:sc= -0.0516 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.992 1.999 -3.784 1.00 6.95 N ATOM 2 CA MET A 1 24.803 1.745 -2.568 1.00 6.01 C ATOM 3 C MET A 1 23.941 1.097 -1.498 1.00 5.28 C ATOM 4 O MET A 1 22.731 0.960 -1.671 1.00 5.28 O ATOM 5 CB MET A 1 25.380 3.055 -2.016 1.00 5.80 C ATOM 6 CG MET A 1 26.095 3.910 -3.050 1.00 6.10 C ATOM 7 SD MET A 1 26.739 5.444 -2.355 1.00 6.20 S ATOM 8 CE MET A 1 27.268 6.291 -3.844 1.00 6.73 C ATOM 0 H1 MET A 1 24.587 1.881 -4.629 1.00 6.95 H new ATOM 0 H2 MET A 1 23.201 1.325 -3.821 1.00 6.95 H new ATOM 0 H3 MET A 1 23.619 2.969 -3.756 1.00 6.95 H new ATOM 0 HA MET A 1 25.623 1.080 -2.840 1.00 6.01 H new ATOM 0 HB2 MET A 1 24.570 3.638 -1.577 1.00 5.80 H new ATOM 0 HB3 MET A 1 26.077 2.821 -1.211 1.00 5.80 H new ATOM 0 HG2 MET A 1 26.916 3.339 -3.483 1.00 6.10 H new ATOM 0 HG3 MET A 1 25.406 4.144 -3.862 1.00 6.10 H new ATOM 0 HE1 MET A 1 27.691 7.260 -3.580 1.00 6.73 H new ATOM 0 HE2 MET A 1 28.022 5.692 -4.355 1.00 6.73 H new ATOM 0 HE3 MET A 1 26.412 6.436 -4.504 1.00 6.73 H new ATOM 20 N SER A 2 24.560 0.702 -0.395 1.00 5.03 N ATOM 21 CA SER A 2 23.833 0.081 0.699 1.00 4.69 C ATOM 22 C SER A 2 23.055 1.139 1.472 1.00 3.60 C ATOM 23 O SER A 2 23.557 1.714 2.443 1.00 3.51 O ATOM 24 CB SER A 2 24.797 -0.653 1.630 1.00 5.46 C ATOM 25 OG SER A 2 25.852 -1.254 0.895 1.00 6.47 O ATOM 0 H SER A 2 25.563 0.801 -0.235 1.00 5.03 H new ATOM 0 HA SER A 2 23.131 -0.644 0.288 1.00 4.69 H new ATOM 0 HB2 SER A 2 25.208 0.046 2.359 1.00 5.46 H new ATOM 0 HB3 SER A 2 24.257 -1.417 2.190 1.00 5.46 H new ATOM 0 HG SER A 2 26.458 -1.717 1.511 1.00 6.47 H new ATOM 31 N ASN A 3 21.844 1.414 1.015 1.00 3.10 N ATOM 32 CA ASN A 3 20.991 2.403 1.650 1.00 2.27 C ATOM 33 C ASN A 3 19.533 2.116 1.332 1.00 2.15 C ATOM 34 O ASN A 3 19.206 1.695 0.223 1.00 2.83 O ATOM 35 CB ASN A 3 21.371 3.813 1.187 1.00 2.40 C ATOM 36 CG ASN A 3 20.555 4.893 1.867 1.00 2.63 C ATOM 37 OD1 ASN A 3 20.182 4.767 3.035 1.00 2.70 O ATOM 38 ND2 ASN A 3 20.277 5.964 1.144 1.00 3.35 N ATOM 0 H ASN A 3 21.428 0.962 0.201 1.00 3.10 H new ATOM 0 HA ASN A 3 21.132 2.346 2.729 1.00 2.27 H new ATOM 0 HB2 ASN A 3 22.429 3.983 1.386 1.00 2.40 H new ATOM 0 HB3 ASN A 3 21.234 3.886 0.108 1.00 2.40 H new ATOM 0 HD21 ASN A 3 19.734 6.726 1.550 1.00 3.35 H new ATOM 0 HD22 ASN A 3 20.605 6.028 0.180 1.00 3.35 H new ATOM 45 N LEU A 4 18.667 2.345 2.306 1.00 1.64 N ATOM 46 CA LEU A 4 17.244 2.101 2.143 1.00 1.54 C ATOM 47 C LEU A 4 16.466 3.409 2.250 1.00 1.65 C ATOM 48 O LEU A 4 16.428 4.185 1.293 1.00 2.49 O ATOM 49 CB LEU A 4 16.753 1.084 3.184 1.00 1.47 C ATOM 50 CG LEU A 4 17.390 1.194 4.574 1.00 1.63 C ATOM 51 CD1 LEU A 4 16.378 0.831 5.646 1.00 2.06 C ATOM 52 CD2 LEU A 4 18.617 0.298 4.676 1.00 2.10 C ATOM 0 H LEU A 4 18.928 2.702 3.225 1.00 1.64 H new ATOM 0 HA LEU A 4 17.071 1.682 1.152 1.00 1.54 H new ATOM 0 HB2 LEU A 4 15.674 1.193 3.290 1.00 1.47 H new ATOM 0 HB3 LEU A 4 16.936 0.081 2.799 1.00 1.47 H new ATOM 0 HG LEU A 4 17.707 2.226 4.727 1.00 1.63 H new ATOM 0 HD11 LEU A 4 16.843 0.913 6.628 1.00 2.06 H new ATOM 0 HD12 LEU A 4 15.528 1.511 5.589 1.00 2.06 H new ATOM 0 HD13 LEU A 4 16.035 -0.192 5.491 1.00 2.06 H new ATOM 0 HD21 LEU A 4 19.054 0.391 5.670 1.00 2.10 H new ATOM 0 HD22 LEU A 4 18.326 -0.738 4.503 1.00 2.10 H new ATOM 0 HD23 LEU A 4 19.350 0.599 3.928 1.00 2.10 H new ATOM 64 N GLU A 5 15.878 3.652 3.426 1.00 1.13 N ATOM 65 CA GLU A 5 15.094 4.861 3.701 1.00 1.19 C ATOM 66 C GLU A 5 13.787 4.875 2.919 1.00 1.05 C ATOM 67 O GLU A 5 13.743 4.520 1.741 1.00 1.01 O ATOM 68 CB GLU A 5 15.886 6.131 3.383 1.00 1.48 C ATOM 69 CG GLU A 5 17.223 6.221 4.092 1.00 1.61 C ATOM 70 CD GLU A 5 18.041 7.390 3.600 1.00 2.22 C ATOM 71 OE1 GLU A 5 18.309 7.460 2.385 1.00 2.91 O ATOM 72 OE2 GLU A 5 18.421 8.245 4.426 1.00 2.57 O ATOM 0 H GLU A 5 15.933 3.012 4.218 1.00 1.13 H new ATOM 0 HA GLU A 5 14.867 4.843 4.767 1.00 1.19 H new ATOM 0 HB2 GLU A 5 16.053 6.182 2.307 1.00 1.48 H new ATOM 0 HB3 GLU A 5 15.284 6.999 3.654 1.00 1.48 H new ATOM 0 HG2 GLU A 5 17.059 6.318 5.165 1.00 1.61 H new ATOM 0 HG3 GLU A 5 17.780 5.297 3.937 1.00 1.61 H new ATOM 79 N ILE A 6 12.719 5.279 3.586 1.00 1.00 N ATOM 80 CA ILE A 6 11.416 5.360 2.948 1.00 0.88 C ATOM 81 C ILE A 6 11.319 6.657 2.152 1.00 0.86 C ATOM 82 O ILE A 6 10.831 7.674 2.648 1.00 0.90 O ATOM 83 CB ILE A 6 10.264 5.291 3.976 1.00 0.86 C ATOM 84 CG1 ILE A 6 10.475 4.117 4.936 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.923 5.162 3.262 1.00 0.79 C ATOM 86 CD1 ILE A 6 9.518 4.111 6.111 1.00 0.92 C ATOM 0 H ILE A 6 12.728 5.556 4.568 1.00 1.00 H new ATOM 0 HA ILE A 6 11.316 4.503 2.283 1.00 0.88 H new ATOM 0 HB ILE A 6 10.260 6.214 4.556 1.00 0.86 H new ATOM 0 HG12 ILE A 6 10.365 3.184 4.384 1.00 0.94 H new ATOM 0 HG13 ILE A 6 11.498 4.146 5.312 1.00 0.94 H new ATOM 0 HG21 ILE A 6 8.121 5.115 3.999 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.771 6.026 2.615 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.917 4.253 2.660 1.00 0.79 H new ATOM 0 HD11 ILE A 6 9.728 3.251 6.747 1.00 0.92 H new ATOM 0 HD12 ILE A 6 9.644 5.028 6.687 1.00 0.92 H new ATOM 0 HD13 ILE A 6 8.493 4.050 5.745 1.00 0.92 H new ATOM 98 N LYS A 7 11.827 6.622 0.931 1.00 0.86 N ATOM 99 CA LYS A 7 11.808 7.784 0.056 1.00 0.89 C ATOM 100 C LYS A 7 10.391 8.029 -0.449 1.00 0.79 C ATOM 101 O LYS A 7 9.751 7.125 -0.986 1.00 0.74 O ATOM 102 CB LYS A 7 12.760 7.578 -1.132 1.00 0.99 C ATOM 103 CG LYS A 7 14.153 7.094 -0.745 1.00 1.10 C ATOM 104 CD LYS A 7 14.976 8.195 -0.090 1.00 1.61 C ATOM 105 CE LYS A 7 16.435 8.142 -0.527 1.00 1.77 C ATOM 106 NZ LYS A 7 17.151 6.957 0.022 1.00 2.23 N ATOM 0 H LYS A 7 12.261 5.795 0.520 1.00 0.86 H new ATOM 0 HA LYS A 7 12.142 8.653 0.622 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.315 6.857 -1.818 1.00 0.99 H new ATOM 0 HB3 LYS A 7 12.853 8.519 -1.675 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.067 6.250 -0.061 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.671 6.733 -1.633 1.00 1.10 H new ATOM 0 HD2 LYS A 7 14.554 9.167 -0.347 1.00 1.61 H new ATOM 0 HD3 LYS A 7 14.917 8.098 0.994 1.00 1.61 H new ATOM 0 HE2 LYS A 7 16.484 8.120 -1.616 1.00 1.77 H new ATOM 0 HE3 LYS A 7 16.941 9.051 -0.203 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 18.095 6.891 -0.409 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 17.247 7.056 1.053 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 16.611 6.095 -0.194 1.00 2.23 H new ATOM 120 N GLN A 8 9.895 9.240 -0.267 1.00 0.81 N ATOM 121 CA GLN A 8 8.552 9.575 -0.711 1.00 0.78 C ATOM 122 C GLN A 8 8.608 10.523 -1.897 1.00 0.90 C ATOM 123 O GLN A 8 9.261 11.567 -1.846 1.00 1.15 O ATOM 124 CB GLN A 8 7.728 10.180 0.430 1.00 0.93 C ATOM 125 CG GLN A 8 8.467 11.224 1.250 1.00 1.29 C ATOM 126 CD GLN A 8 7.751 11.552 2.548 1.00 1.76 C ATOM 127 OE1 GLN A 8 6.526 11.442 2.644 1.00 2.52 O ATOM 128 NE2 GLN A 8 8.505 11.953 3.555 1.00 1.94 N ATOM 0 H GLN A 8 10.398 10.005 0.183 1.00 0.81 H new ATOM 0 HA GLN A 8 8.059 8.655 -1.026 1.00 0.78 H new ATOM 0 HB2 GLN A 8 6.829 10.633 0.013 1.00 0.93 H new ATOM 0 HB3 GLN A 8 7.403 9.378 1.093 1.00 0.93 H new ATOM 0 HG2 GLN A 8 9.471 10.863 1.473 1.00 1.29 H new ATOM 0 HG3 GLN A 8 8.579 12.134 0.660 1.00 1.29 H new ATOM 0 HE21 GLN A 8 9.515 12.031 3.436 1.00 1.94 H new ATOM 0 HE22 GLN A 8 8.077 12.184 4.452 1.00 1.94 H new ATOM 137 N GLY A 9 7.940 10.138 -2.968 1.00 0.87 N ATOM 138 CA GLY A 9 7.920 10.944 -4.170 1.00 1.04 C ATOM 139 C GLY A 9 6.800 10.543 -5.099 1.00 0.71 C ATOM 140 O GLY A 9 6.413 9.378 -5.115 1.00 0.83 O ATOM 0 H GLY A 9 7.405 9.272 -3.028 1.00 0.87 H new ATOM 0 HA2 GLY A 9 7.810 11.994 -3.901 1.00 1.04 H new ATOM 0 HA3 GLY A 9 8.874 10.846 -4.688 1.00 1.04 H new ATOM 144 N GLU A 10 6.286 11.517 -5.858 1.00 1.04 N ATOM 145 CA GLU A 10 5.189 11.318 -6.821 1.00 0.82 C ATOM 146 C GLU A 10 4.047 10.468 -6.247 1.00 0.70 C ATOM 147 O GLU A 10 3.493 9.607 -6.935 1.00 0.72 O ATOM 148 CB GLU A 10 5.708 10.722 -8.148 1.00 0.79 C ATOM 149 CG GLU A 10 6.292 9.321 -8.041 1.00 1.82 C ATOM 150 CD GLU A 10 6.898 8.845 -9.340 1.00 2.48 C ATOM 151 OE1 GLU A 10 8.100 9.099 -9.564 1.00 3.19 O ATOM 152 OE2 GLU A 10 6.178 8.212 -10.145 1.00 2.65 O ATOM 0 H GLU A 10 6.622 12.479 -5.823 1.00 1.04 H new ATOM 0 HA GLU A 10 4.776 12.305 -7.028 1.00 0.82 H new ATOM 0 HB2 GLU A 10 4.888 10.703 -8.865 1.00 0.79 H new ATOM 0 HB3 GLU A 10 6.471 11.387 -8.553 1.00 0.79 H new ATOM 0 HG2 GLU A 10 7.054 9.307 -7.262 1.00 1.82 H new ATOM 0 HG3 GLU A 10 5.509 8.627 -7.733 1.00 1.82 H new ATOM 159 N ASN A 11 3.687 10.739 -4.990 1.00 0.63 N ATOM 160 CA ASN A 11 2.612 10.013 -4.302 1.00 0.59 C ATOM 161 C ASN A 11 2.932 8.526 -4.216 1.00 0.47 C ATOM 162 O ASN A 11 2.054 7.670 -4.364 1.00 0.44 O ATOM 163 CB ASN A 11 1.262 10.223 -5.004 1.00 0.71 C ATOM 164 CG ASN A 11 0.596 11.529 -4.615 1.00 0.73 C ATOM 165 OD1 ASN A 11 0.802 12.045 -3.518 1.00 1.10 O ATOM 166 ND2 ASN A 11 -0.216 12.065 -5.511 1.00 1.38 N ATOM 0 H ASN A 11 4.128 11.463 -4.422 1.00 0.63 H new ATOM 0 HA ASN A 11 2.538 10.414 -3.291 1.00 0.59 H new ATOM 0 HB2 ASN A 11 1.412 10.204 -6.083 1.00 0.71 H new ATOM 0 HB3 ASN A 11 0.597 9.394 -4.760 1.00 0.71 H new ATOM 0 HD21 ASN A 11 -0.699 12.939 -5.303 1.00 1.38 H new ATOM 0 HD22 ASN A 11 -0.359 11.604 -6.410 1.00 1.38 H new ATOM 173 N LYS A 12 4.198 8.226 -3.979 1.00 0.45 N ATOM 174 CA LYS A 12 4.657 6.855 -3.873 1.00 0.43 C ATOM 175 C LYS A 12 5.730 6.724 -2.798 1.00 0.46 C ATOM 176 O LYS A 12 6.643 7.549 -2.708 1.00 0.55 O ATOM 177 CB LYS A 12 5.204 6.383 -5.229 1.00 0.50 C ATOM 178 CG LYS A 12 6.167 5.208 -5.129 1.00 0.65 C ATOM 179 CD LYS A 12 6.459 4.585 -6.487 1.00 0.59 C ATOM 180 CE LYS A 12 7.685 5.191 -7.153 1.00 0.73 C ATOM 181 NZ LYS A 12 8.085 4.429 -8.370 1.00 0.94 N ATOM 0 H LYS A 12 4.932 8.924 -3.855 1.00 0.45 H new ATOM 0 HA LYS A 12 3.813 6.227 -3.588 1.00 0.43 H new ATOM 0 HB2 LYS A 12 4.368 6.102 -5.869 1.00 0.50 H new ATOM 0 HB3 LYS A 12 5.712 7.216 -5.715 1.00 0.50 H new ATOM 0 HG2 LYS A 12 7.100 5.543 -4.677 1.00 0.65 H new ATOM 0 HG3 LYS A 12 5.746 4.451 -4.467 1.00 0.65 H new ATOM 0 HD2 LYS A 12 6.608 3.512 -6.367 1.00 0.59 H new ATOM 0 HD3 LYS A 12 5.594 4.716 -7.137 1.00 0.59 H new ATOM 0 HE2 LYS A 12 7.478 6.226 -7.424 1.00 0.73 H new ATOM 0 HE3 LYS A 12 8.513 5.207 -6.445 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 8.963 4.830 -8.758 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 8.241 3.432 -8.119 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 7.331 4.493 -9.083 1.00 0.94 H new ATOM 195 N PHE A 13 5.594 5.706 -1.964 1.00 0.46 N ATOM 196 CA PHE A 13 6.567 5.436 -0.919 1.00 0.50 C ATOM 197 C PHE A 13 7.473 4.312 -1.389 1.00 0.50 C ATOM 198 O PHE A 13 7.008 3.193 -1.605 1.00 0.46 O ATOM 199 CB PHE A 13 5.877 5.031 0.386 1.00 0.51 C ATOM 200 CG PHE A 13 5.209 6.169 1.107 1.00 0.53 C ATOM 201 CD1 PHE A 13 5.952 7.231 1.598 1.00 0.63 C ATOM 202 CD2 PHE A 13 3.837 6.168 1.304 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.339 8.272 2.270 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.219 7.206 1.978 1.00 0.59 C ATOM 205 CZ PHE A 13 3.971 8.259 2.461 1.00 0.65 C ATOM 0 H PHE A 13 4.814 5.049 -1.991 1.00 0.46 H new ATOM 0 HA PHE A 13 7.145 6.340 -0.725 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.132 4.266 0.168 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.614 4.578 1.049 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.022 7.245 1.454 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.244 5.348 0.927 1.00 0.54 H new ATOM 0 HE1 PHE A 13 5.929 9.095 2.645 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.149 7.193 2.126 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.490 9.071 2.987 1.00 0.65 H new ATOM 215 N TYR A 14 8.749 4.602 -1.581 1.00 0.60 N ATOM 216 CA TYR A 14 9.674 3.585 -2.049 1.00 0.64 C ATOM 217 C TYR A 14 10.971 3.582 -1.256 1.00 0.69 C ATOM 218 O TYR A 14 11.611 4.611 -1.064 1.00 0.75 O ATOM 219 CB TYR A 14 9.958 3.744 -3.551 1.00 0.67 C ATOM 220 CG TYR A 14 10.524 5.086 -3.966 1.00 0.78 C ATOM 221 CD1 TYR A 14 9.704 6.198 -4.093 1.00 0.79 C ATOM 222 CD2 TYR A 14 11.874 5.231 -4.255 1.00 0.93 C ATOM 223 CE1 TYR A 14 10.211 7.418 -4.489 1.00 0.92 C ATOM 224 CE2 TYR A 14 12.389 6.446 -4.654 1.00 1.04 C ATOM 225 CZ TYR A 14 11.555 7.537 -4.772 1.00 1.03 C ATOM 226 OH TYR A 14 12.069 8.749 -5.172 1.00 1.16 O ATOM 0 H TYR A 14 9.163 5.520 -1.423 1.00 0.60 H new ATOM 0 HA TYR A 14 9.192 2.621 -1.889 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.656 2.964 -3.856 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.031 3.574 -4.099 1.00 0.67 H new ATOM 0 HD1 TYR A 14 8.650 6.107 -3.878 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.531 4.379 -4.166 1.00 0.93 H new ATOM 0 HE1 TYR A 14 9.559 8.275 -4.577 1.00 0.92 H new ATOM 0 HE2 TYR A 14 13.442 6.543 -4.873 1.00 1.04 H new ATOM 0 HH TYR A 14 13.002 8.821 -4.881 1.00 1.16 H new ATOM 236 N ILE A 15 11.335 2.407 -0.783 1.00 0.71 N ATOM 237 CA ILE A 15 12.555 2.225 -0.030 1.00 0.78 C ATOM 238 C ILE A 15 13.682 1.859 -0.982 1.00 0.92 C ATOM 239 O ILE A 15 13.598 0.852 -1.687 1.00 0.92 O ATOM 240 CB ILE A 15 12.397 1.119 1.036 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.511 1.614 2.180 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.755 0.680 1.561 1.00 0.80 C ATOM 243 CD1 ILE A 15 11.433 0.650 3.342 1.00 0.71 C ATOM 0 H ILE A 15 10.792 1.553 -0.911 1.00 0.71 H new ATOM 0 HA ILE A 15 12.785 3.159 0.483 1.00 0.78 H new ATOM 0 HB ILE A 15 11.919 0.256 0.573 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.892 2.571 2.537 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.506 1.794 1.799 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.621 -0.100 2.311 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.355 0.292 0.738 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.264 1.532 2.011 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.788 1.065 4.117 1.00 0.71 H new ATOM 0 HD12 ILE A 15 11.023 -0.300 3.000 1.00 0.71 H new ATOM 0 HD13 ILE A 15 12.431 0.489 3.749 1.00 0.71 H new ATOM 255 N GLY A 16 14.717 2.681 -1.022 1.00 1.09 N ATOM 256 CA GLY A 16 15.834 2.413 -1.898 1.00 1.26 C ATOM 257 C GLY A 16 16.837 3.542 -1.905 1.00 1.42 C ATOM 258 O GLY A 16 16.520 4.669 -1.518 1.00 1.52 O ATOM 0 H GLY A 16 14.803 3.530 -0.463 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.327 1.493 -1.584 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.468 2.248 -2.911 1.00 1.26 H new ATOM 262 N ASP A 17 18.045 3.239 -2.356 1.00 1.55 N ATOM 263 CA ASP A 17 19.120 4.223 -2.416 1.00 1.74 C ATOM 264 C ASP A 17 18.969 5.125 -3.641 1.00 1.66 C ATOM 265 O ASP A 17 19.632 6.156 -3.763 1.00 1.78 O ATOM 266 CB ASP A 17 20.469 3.504 -2.445 1.00 1.95 C ATOM 267 CG ASP A 17 21.649 4.453 -2.447 1.00 2.20 C ATOM 268 OD1 ASP A 17 21.659 5.402 -1.635 1.00 2.62 O ATOM 269 OD2 ASP A 17 22.573 4.256 -3.267 1.00 2.14 O ATOM 0 H ASP A 17 18.309 2.312 -2.689 1.00 1.55 H new ATOM 0 HA ASP A 17 19.067 4.855 -1.529 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.542 2.846 -1.579 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.518 2.872 -3.331 1.00 1.95 H new ATOM 274 N ASP A 18 18.080 4.733 -4.539 1.00 1.53 N ATOM 275 CA ASP A 18 17.829 5.487 -5.758 1.00 1.48 C ATOM 276 C ASP A 18 16.438 5.149 -6.292 1.00 1.37 C ATOM 277 O ASP A 18 15.893 4.095 -5.968 1.00 1.29 O ATOM 278 CB ASP A 18 18.929 5.179 -6.791 1.00 1.53 C ATOM 279 CG ASP A 18 18.457 5.229 -8.232 1.00 1.47 C ATOM 280 OD1 ASP A 18 18.203 6.339 -8.748 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.352 4.159 -8.858 1.00 1.41 O ATOM 0 H ASP A 18 17.515 3.889 -4.446 1.00 1.53 H new ATOM 0 HA ASP A 18 17.856 6.557 -5.550 1.00 1.48 H new ATOM 0 HB2 ASP A 18 19.744 5.892 -6.662 1.00 1.53 H new ATOM 0 HB3 ASP A 18 19.337 4.189 -6.588 1.00 1.53 H new ATOM 286 N GLU A 19 15.866 6.050 -7.086 1.00 1.41 N ATOM 287 CA GLU A 19 14.531 5.862 -7.657 1.00 1.38 C ATOM 288 C GLU A 19 14.420 4.554 -8.438 1.00 1.34 C ATOM 289 O GLU A 19 13.432 3.835 -8.310 1.00 1.34 O ATOM 290 CB GLU A 19 14.169 7.031 -8.574 1.00 1.49 C ATOM 291 CG GLU A 19 14.100 8.372 -7.865 1.00 1.76 C ATOM 292 CD GLU A 19 15.426 9.102 -7.859 1.00 2.08 C ATOM 293 OE1 GLU A 19 15.701 9.849 -8.821 1.00 2.43 O ATOM 294 OE2 GLU A 19 16.203 8.927 -6.899 1.00 2.72 O ATOM 0 H GLU A 19 16.311 6.928 -7.352 1.00 1.41 H new ATOM 0 HA GLU A 19 13.833 5.820 -6.821 1.00 1.38 H new ATOM 0 HB2 GLU A 19 14.905 7.093 -9.375 1.00 1.49 H new ATOM 0 HB3 GLU A 19 13.205 6.828 -9.041 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.349 8.996 -8.350 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.771 8.218 -6.837 1.00 1.76 H new ATOM 301 N ASN A 20 15.437 4.246 -9.232 1.00 1.37 N ATOM 302 CA ASN A 20 15.436 3.026 -10.033 1.00 1.39 C ATOM 303 C ASN A 20 16.002 1.859 -9.232 1.00 1.40 C ATOM 304 O ASN A 20 16.162 0.749 -9.748 1.00 1.52 O ATOM 305 CB ASN A 20 16.239 3.226 -11.322 1.00 1.48 C ATOM 306 CG ASN A 20 15.584 4.214 -12.274 1.00 2.08 C ATOM 307 OD1 ASN A 20 15.809 5.422 -12.188 1.00 2.92 O ATOM 308 ND2 ASN A 20 14.772 3.710 -13.191 1.00 2.15 N ATOM 0 H ASN A 20 16.272 4.822 -9.340 1.00 1.37 H new ATOM 0 HA ASN A 20 14.405 2.795 -10.301 1.00 1.39 H new ATOM 0 HB2 ASN A 20 17.239 3.578 -11.071 1.00 1.48 H new ATOM 0 HB3 ASN A 20 16.356 2.266 -11.825 1.00 1.48 H new ATOM 0 HD21 ASN A 20 14.309 4.328 -13.857 1.00 2.15 H new ATOM 0 HD22 ASN A 20 14.610 2.704 -13.231 1.00 2.15 H new ATOM 315 N ASN A 21 16.296 2.119 -7.967 1.00 1.36 N ATOM 316 CA ASN A 21 16.837 1.110 -7.067 1.00 1.38 C ATOM 317 C ASN A 21 15.845 0.825 -5.952 1.00 1.25 C ATOM 318 O ASN A 21 16.209 0.313 -4.892 1.00 1.23 O ATOM 319 CB ASN A 21 18.163 1.583 -6.466 1.00 1.54 C ATOM 320 CG ASN A 21 19.369 1.095 -7.243 1.00 1.92 C ATOM 321 OD1 ASN A 21 19.936 0.046 -6.930 1.00 2.21 O ATOM 322 ND2 ASN A 21 19.772 1.843 -8.259 1.00 2.45 N ATOM 0 H ASN A 21 16.167 3.034 -7.535 1.00 1.36 H new ATOM 0 HA ASN A 21 17.014 0.198 -7.637 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.174 2.672 -6.434 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.235 1.233 -5.436 1.00 1.54 H new ATOM 0 HD21 ASN A 21 20.579 1.557 -8.814 1.00 2.45 H new ATOM 0 HD22 ASN A 21 19.276 2.705 -8.486 1.00 2.45 H new ATOM 329 N ALA A 22 14.590 1.174 -6.198 1.00 1.19 N ATOM 330 CA ALA A 22 13.527 0.971 -5.228 1.00 1.09 C ATOM 331 C ALA A 22 13.349 -0.510 -4.921 1.00 1.06 C ATOM 332 O ALA A 22 12.890 -1.280 -5.767 1.00 1.14 O ATOM 333 CB ALA A 22 12.224 1.569 -5.741 1.00 1.04 C ATOM 0 H ALA A 22 14.283 1.603 -7.071 1.00 1.19 H new ATOM 0 HA ALA A 22 13.805 1.478 -4.304 1.00 1.09 H new ATOM 0 HB1 ALA A 22 11.436 1.410 -5.005 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.355 2.638 -5.907 1.00 1.04 H new ATOM 0 HB3 ALA A 22 11.947 1.087 -6.679 1.00 1.04 H new ATOM 339 N LEU A 23 13.734 -0.902 -3.716 1.00 0.99 N ATOM 340 CA LEU A 23 13.617 -2.284 -3.280 1.00 0.99 C ATOM 341 C LEU A 23 12.157 -2.619 -3.017 1.00 0.87 C ATOM 342 O LEU A 23 11.695 -3.722 -3.309 1.00 0.95 O ATOM 343 CB LEU A 23 14.434 -2.508 -2.005 1.00 1.05 C ATOM 344 CG LEU A 23 15.921 -2.166 -2.107 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.421 -1.587 -0.793 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.726 -3.401 -2.481 1.00 1.37 C ATOM 0 H LEU A 23 14.134 -0.275 -3.017 1.00 0.99 H new ATOM 0 HA LEU A 23 14.002 -2.934 -4.066 1.00 0.99 H new ATOM 0 HB2 LEU A 23 13.996 -1.912 -1.204 1.00 1.05 H new ATOM 0 HB3 LEU A 23 14.339 -3.554 -1.712 1.00 1.05 H new ATOM 0 HG LEU A 23 16.051 -1.418 -2.889 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.481 -1.348 -0.880 1.00 1.39 H new ATOM 0 HD12 LEU A 23 15.863 -0.680 -0.559 1.00 1.39 H new ATOM 0 HD13 LEU A 23 16.278 -2.317 0.004 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.782 -3.140 -2.549 1.00 1.37 H new ATOM 0 HD22 LEU A 23 16.590 -4.168 -1.719 1.00 1.37 H new ATOM 0 HD23 LEU A 23 16.383 -3.781 -3.443 1.00 1.37 H new ATOM 358 N ALA A 24 11.442 -1.658 -2.456 1.00 0.77 N ATOM 359 CA ALA A 24 10.034 -1.835 -2.143 1.00 0.66 C ATOM 360 C ALA A 24 9.288 -0.526 -2.329 1.00 0.60 C ATOM 361 O ALA A 24 9.685 0.495 -1.778 1.00 0.67 O ATOM 362 CB ALA A 24 9.875 -2.349 -0.722 1.00 0.71 C ATOM 0 H ALA A 24 11.816 -0.742 -2.207 1.00 0.77 H new ATOM 0 HA ALA A 24 9.609 -2.572 -2.824 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.816 -2.478 -0.498 1.00 0.71 H new ATOM 0 HB2 ALA A 24 10.386 -3.306 -0.622 1.00 0.71 H new ATOM 0 HB3 ALA A 24 10.308 -1.632 -0.025 1.00 0.71 H new ATOM 368 N GLU A 25 8.219 -0.553 -3.109 1.00 0.54 N ATOM 369 CA GLU A 25 7.444 0.651 -3.359 1.00 0.52 C ATOM 370 C GLU A 25 5.944 0.376 -3.362 1.00 0.43 C ATOM 371 O GLU A 25 5.491 -0.705 -3.743 1.00 0.45 O ATOM 372 CB GLU A 25 7.851 1.281 -4.694 1.00 0.65 C ATOM 373 CG GLU A 25 7.518 0.428 -5.909 1.00 0.84 C ATOM 374 CD GLU A 25 7.386 1.247 -7.174 1.00 0.87 C ATOM 375 OE1 GLU A 25 8.396 1.820 -7.631 1.00 1.33 O ATOM 376 OE2 GLU A 25 6.268 1.322 -7.720 1.00 1.02 O ATOM 0 H GLU A 25 7.870 -1.390 -3.577 1.00 0.54 H new ATOM 0 HA GLU A 25 7.658 1.344 -2.545 1.00 0.52 H new ATOM 0 HB2 GLU A 25 7.355 2.247 -4.794 1.00 0.65 H new ATOM 0 HB3 GLU A 25 8.924 1.473 -4.681 1.00 0.65 H new ATOM 0 HG2 GLU A 25 8.296 -0.323 -6.046 1.00 0.84 H new ATOM 0 HG3 GLU A 25 6.586 -0.108 -5.728 1.00 0.84 H new ATOM 383 N ILE A 26 5.190 1.370 -2.923 1.00 0.40 N ATOM 384 CA ILE A 26 3.739 1.302 -2.889 1.00 0.33 C ATOM 385 C ILE A 26 3.178 2.574 -3.520 1.00 0.33 C ATOM 386 O ILE A 26 3.635 3.678 -3.213 1.00 0.38 O ATOM 387 CB ILE A 26 3.198 1.126 -1.447 1.00 0.34 C ATOM 388 CG1 ILE A 26 1.665 1.071 -1.448 1.00 0.30 C ATOM 389 CG2 ILE A 26 3.698 2.238 -0.533 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.074 0.728 -0.098 1.00 0.34 C ATOM 0 H ILE A 26 5.570 2.252 -2.578 1.00 0.40 H new ATOM 0 HA ILE A 26 3.417 0.427 -3.453 1.00 0.33 H new ATOM 0 HB ILE A 26 3.576 0.180 -1.059 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.275 2.036 -1.772 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.336 0.332 -2.179 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.303 2.089 0.472 1.00 0.41 H new ATOM 0 HG22 ILE A 26 4.787 2.220 -0.501 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.362 3.202 -0.915 1.00 0.41 H new ATOM 0 HD11 ILE A 26 -0.013 0.706 -0.172 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.436 -0.250 0.220 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.373 1.480 0.632 1.00 0.34 H new ATOM 402 N THR A 27 2.216 2.427 -4.418 1.00 0.33 N ATOM 403 CA THR A 27 1.648 3.580 -5.094 1.00 0.35 C ATOM 404 C THR A 27 0.193 3.815 -4.712 1.00 0.37 C ATOM 405 O THR A 27 -0.609 2.881 -4.646 1.00 0.41 O ATOM 406 CB THR A 27 1.756 3.436 -6.625 1.00 0.40 C ATOM 407 OG1 THR A 27 1.200 2.183 -7.058 1.00 0.60 O ATOM 408 CG2 THR A 27 3.206 3.530 -7.068 1.00 0.51 C ATOM 0 H THR A 27 1.816 1.530 -4.693 1.00 0.33 H new ATOM 0 HA THR A 27 2.230 4.442 -4.768 1.00 0.35 H new ATOM 0 HB THR A 27 1.191 4.250 -7.080 1.00 0.40 H new ATOM 0 HG1 THR A 27 1.277 2.110 -8.032 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.263 3.426 -8.152 1.00 0.51 H new ATOM 0 HG22 THR A 27 3.614 4.497 -6.774 1.00 0.51 H new ATOM 0 HG23 THR A 27 3.783 2.734 -6.597 1.00 0.51 H new ATOM 416 N TYR A 28 -0.141 5.072 -4.469 1.00 0.39 N ATOM 417 CA TYR A 28 -1.495 5.453 -4.109 1.00 0.45 C ATOM 418 C TYR A 28 -1.890 6.701 -4.880 1.00 0.48 C ATOM 419 O TYR A 28 -1.079 7.609 -5.057 1.00 0.68 O ATOM 420 CB TYR A 28 -1.623 5.690 -2.598 1.00 0.48 C ATOM 421 CG TYR A 28 -0.669 6.729 -2.037 1.00 0.49 C ATOM 422 CD1 TYR A 28 0.588 6.364 -1.573 1.00 0.51 C ATOM 423 CD2 TYR A 28 -1.029 8.070 -1.966 1.00 0.59 C ATOM 424 CE1 TYR A 28 1.460 7.304 -1.058 1.00 0.60 C ATOM 425 CE2 TYR A 28 -0.163 9.016 -1.452 1.00 0.66 C ATOM 426 CZ TYR A 28 1.079 8.628 -1.000 1.00 0.65 C ATOM 427 OH TYR A 28 1.944 9.569 -0.486 1.00 0.76 O ATOM 0 H TYR A 28 0.515 5.852 -4.516 1.00 0.39 H new ATOM 0 HA TYR A 28 -2.169 4.637 -4.371 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.645 5.998 -2.377 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -1.456 4.746 -2.080 1.00 0.48 H new ATOM 0 HD1 TYR A 28 0.889 5.328 -1.615 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -2.002 8.378 -2.319 1.00 0.59 H new ATOM 0 HE1 TYR A 28 2.435 7.003 -0.703 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -0.458 10.054 -1.405 1.00 0.66 H new ATOM 0 HH TYR A 28 2.467 9.170 0.241 1.00 0.76 H new ATOM 437 N ARG A 29 -3.120 6.734 -5.365 1.00 0.42 N ATOM 438 CA ARG A 29 -3.598 7.881 -6.123 1.00 0.48 C ATOM 439 C ARG A 29 -4.880 8.435 -5.524 1.00 0.48 C ATOM 440 O ARG A 29 -5.748 7.683 -5.072 1.00 0.49 O ATOM 441 CB ARG A 29 -3.832 7.507 -7.588 1.00 0.56 C ATOM 442 CG ARG A 29 -2.558 7.172 -8.347 1.00 0.93 C ATOM 443 CD ARG A 29 -2.837 6.929 -9.821 1.00 1.22 C ATOM 444 NE ARG A 29 -3.414 5.605 -10.067 1.00 1.83 N ATOM 445 CZ ARG A 29 -4.668 5.394 -10.472 1.00 2.81 C ATOM 446 NH1 ARG A 29 -5.503 6.413 -10.647 1.00 3.23 N ATOM 447 NH2 ARG A 29 -5.083 4.156 -10.706 1.00 3.63 N ATOM 0 H ARG A 29 -3.803 5.985 -5.249 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.828 8.651 -6.074 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -4.505 6.651 -7.632 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.335 8.334 -8.089 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -1.844 7.989 -8.240 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -2.096 6.286 -7.912 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -3.519 7.695 -10.190 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.910 7.029 -10.385 1.00 1.22 H new ATOM 0 HE ARG A 29 -2.818 4.791 -9.919 1.00 1.83 H new ATOM 0 HH11 ARG A 29 -5.187 7.367 -10.472 1.00 3.23 H new ATOM 0 HH12 ARG A 29 -6.459 6.241 -10.957 1.00 3.23 H new ATOM 0 HH21 ARG A 29 -4.445 3.371 -10.576 1.00 3.63 H new ATOM 0 HH22 ARG A 29 -6.040 3.989 -11.016 1.00 3.63 H new ATOM 461 N PHE A 30 -4.991 9.752 -5.531 1.00 0.56 N ATOM 462 CA PHE A 30 -6.163 10.430 -5.005 1.00 0.60 C ATOM 463 C PHE A 30 -7.290 10.368 -6.026 1.00 0.68 C ATOM 464 O PHE A 30 -7.351 11.184 -6.946 1.00 0.83 O ATOM 465 CB PHE A 30 -5.840 11.892 -4.684 1.00 0.66 C ATOM 466 CG PHE A 30 -4.862 12.075 -3.557 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.498 12.106 -3.800 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.307 12.226 -2.255 1.00 0.72 C ATOM 469 CE1 PHE A 30 -2.599 12.282 -2.764 1.00 0.77 C ATOM 470 CE2 PHE A 30 -4.414 12.404 -1.215 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.058 12.432 -1.469 1.00 0.82 C ATOM 0 H PHE A 30 -4.275 10.379 -5.899 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.472 9.931 -4.087 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.439 12.369 -5.579 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.766 12.410 -4.434 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -3.133 11.991 -4.810 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.367 12.204 -2.049 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.538 12.302 -2.967 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -4.777 12.521 -0.205 1.00 0.80 H new ATOM 0 HZ PHE A 30 -2.358 12.571 -0.659 1.00 0.82 H new ATOM 481 N VAL A 31 -8.172 9.392 -5.875 1.00 0.62 N ATOM 482 CA VAL A 31 -9.282 9.234 -6.801 1.00 0.70 C ATOM 483 C VAL A 31 -10.426 10.180 -6.447 1.00 0.73 C ATOM 484 O VAL A 31 -11.176 10.609 -7.322 1.00 0.83 O ATOM 485 CB VAL A 31 -9.795 7.776 -6.841 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.717 6.850 -7.384 1.00 0.84 C ATOM 487 CG2 VAL A 31 -10.252 7.312 -5.464 1.00 0.67 C ATOM 0 H VAL A 31 -8.141 8.702 -5.125 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.908 9.486 -7.793 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.657 7.741 -7.508 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.093 5.827 -7.406 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.447 7.159 -8.394 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.838 6.899 -6.742 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.607 6.283 -5.526 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.417 7.366 -4.766 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -11.060 7.954 -5.113 1.00 0.67 H new ATOM 497 N ASP A 32 -10.543 10.520 -5.167 1.00 0.72 N ATOM 498 CA ASP A 32 -11.602 11.418 -4.720 1.00 0.84 C ATOM 499 C ASP A 32 -11.112 12.323 -3.593 1.00 0.97 C ATOM 500 O ASP A 32 -11.880 12.689 -2.704 1.00 1.74 O ATOM 501 CB ASP A 32 -12.821 10.615 -4.257 1.00 0.84 C ATOM 502 CG ASP A 32 -14.071 11.467 -4.156 1.00 0.97 C ATOM 503 OD1 ASP A 32 -14.450 12.094 -5.167 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.687 11.509 -3.068 1.00 1.16 O ATOM 0 H ASP A 32 -9.923 10.191 -4.427 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.890 12.046 -5.563 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.999 9.796 -4.954 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.610 10.168 -3.286 1.00 0.84 H new ATOM 509 N ASN A 33 -9.828 12.679 -3.648 1.00 0.89 N ATOM 510 CA ASN A 33 -9.192 13.550 -2.645 1.00 0.95 C ATOM 511 C ASN A 33 -9.091 12.859 -1.285 1.00 0.84 C ATOM 512 O ASN A 33 -7.998 12.553 -0.815 1.00 1.07 O ATOM 513 CB ASN A 33 -9.947 14.877 -2.504 1.00 1.09 C ATOM 514 CG ASN A 33 -9.271 15.828 -1.534 1.00 1.82 C ATOM 515 OD1 ASN A 33 -9.603 15.866 -0.350 1.00 2.09 O ATOM 516 ND2 ASN A 33 -8.315 16.599 -2.029 1.00 2.72 N ATOM 0 H ASN A 33 -9.195 12.374 -4.387 1.00 0.89 H new ATOM 0 HA ASN A 33 -8.182 13.759 -2.999 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -10.024 15.353 -3.481 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -10.964 14.679 -2.165 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -7.824 17.255 -1.422 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -8.070 16.537 -3.017 1.00 2.72 H new ATOM 523 N ASN A 34 -10.234 12.601 -0.667 1.00 0.73 N ATOM 524 CA ASN A 34 -10.281 11.942 0.631 1.00 0.86 C ATOM 525 C ASN A 34 -10.372 10.440 0.447 1.00 0.88 C ATOM 526 O ASN A 34 -10.756 9.710 1.357 1.00 1.22 O ATOM 527 CB ASN A 34 -11.472 12.440 1.449 1.00 1.01 C ATOM 528 CG ASN A 34 -11.099 13.556 2.401 1.00 1.35 C ATOM 529 OD1 ASN A 34 -11.135 14.730 2.039 1.00 1.84 O ATOM 530 ND2 ASN A 34 -10.740 13.203 3.627 1.00 1.83 N ATOM 0 H ASN A 34 -11.150 12.840 -1.047 1.00 0.73 H new ATOM 0 HA ASN A 34 -9.366 12.183 1.172 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -12.252 12.790 0.772 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -11.892 11.609 2.016 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -10.481 13.917 4.308 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -10.723 12.218 3.890 1.00 1.83 H new ATOM 537 N GLU A 35 -10.008 9.994 -0.741 1.00 0.64 N ATOM 538 CA GLU A 35 -10.034 8.586 -1.086 1.00 0.62 C ATOM 539 C GLU A 35 -8.782 8.242 -1.883 1.00 0.57 C ATOM 540 O GLU A 35 -8.579 8.759 -2.986 1.00 0.59 O ATOM 541 CB GLU A 35 -11.290 8.281 -1.905 1.00 0.68 C ATOM 542 CG GLU A 35 -11.852 6.882 -1.704 1.00 1.01 C ATOM 543 CD GLU A 35 -13.329 6.805 -2.038 1.00 1.41 C ATOM 544 OE1 GLU A 35 -14.114 7.576 -1.446 1.00 2.25 O ATOM 545 OE2 GLU A 35 -13.716 5.980 -2.895 1.00 1.47 O ATOM 0 H GLU A 35 -9.685 10.600 -1.495 1.00 0.64 H new ATOM 0 HA GLU A 35 -10.055 7.982 -0.179 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -12.060 9.008 -1.649 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -11.061 8.418 -2.962 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -11.303 6.178 -2.329 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.699 6.576 -0.669 1.00 1.01 H new ATOM 552 N ILE A 36 -7.937 7.395 -1.319 1.00 0.52 N ATOM 553 CA ILE A 36 -6.705 6.997 -1.983 1.00 0.48 C ATOM 554 C ILE A 36 -6.754 5.530 -2.375 1.00 0.46 C ATOM 555 O ILE A 36 -6.998 4.656 -1.539 1.00 0.53 O ATOM 556 CB ILE A 36 -5.455 7.250 -1.110 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.776 7.075 0.379 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.895 8.639 -1.380 1.00 0.51 C ATOM 559 CD1 ILE A 36 -4.564 7.212 1.278 1.00 0.51 C ATOM 0 H ILE A 36 -8.081 6.969 -0.403 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.623 7.616 -2.877 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.699 6.512 -1.376 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -6.521 7.815 0.671 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -6.224 6.093 0.533 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -4.015 8.804 -0.758 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.618 8.722 -2.431 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.651 9.388 -1.144 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.865 7.077 2.317 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.826 6.455 1.012 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -4.128 8.203 1.153 1.00 0.51 H new ATOM 571 N ASN A 37 -6.532 5.267 -3.653 1.00 0.44 N ATOM 572 CA ASN A 37 -6.553 3.908 -4.163 1.00 0.46 C ATOM 573 C ASN A 37 -5.144 3.418 -4.451 1.00 0.42 C ATOM 574 O ASN A 37 -4.430 3.997 -5.276 1.00 0.50 O ATOM 575 CB ASN A 37 -7.405 3.816 -5.433 1.00 0.54 C ATOM 576 CG ASN A 37 -7.454 2.408 -6.004 1.00 0.86 C ATOM 577 OD1 ASN A 37 -8.298 1.596 -5.621 1.00 1.82 O ATOM 578 ND2 ASN A 37 -6.556 2.110 -6.930 1.00 0.98 N ATOM 0 H ASN A 37 -6.335 5.979 -4.356 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.996 3.272 -3.397 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -8.419 4.149 -5.211 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -7.004 4.495 -6.185 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -6.547 1.181 -7.352 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.873 2.809 -7.221 1.00 0.98 H new ATOM 585 N ILE A 38 -4.747 2.365 -3.755 1.00 0.36 N ATOM 586 CA ILE A 38 -3.440 1.771 -3.945 1.00 0.33 C ATOM 587 C ILE A 38 -3.444 0.985 -5.245 1.00 0.41 C ATOM 588 O ILE A 38 -4.203 0.021 -5.399 1.00 0.53 O ATOM 589 CB ILE A 38 -3.057 0.848 -2.769 1.00 0.36 C ATOM 590 CG1 ILE A 38 -3.037 1.647 -1.463 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.702 0.192 -3.017 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.993 0.781 -0.222 1.00 0.69 C ATOM 0 H ILE A 38 -5.319 1.903 -3.048 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.698 2.568 -3.987 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.804 0.059 -2.687 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -2.171 2.308 -1.465 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.922 2.282 -1.422 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.451 -0.454 -2.176 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.747 -0.402 -3.930 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.938 0.963 -3.122 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.981 1.416 0.664 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.873 0.138 -0.196 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -2.094 0.165 -0.240 1.00 0.69 H new ATOM 604 N ASP A 39 -2.615 1.413 -6.182 1.00 0.52 N ATOM 605 CA ASP A 39 -2.551 0.774 -7.486 1.00 0.73 C ATOM 606 C ASP A 39 -1.743 -0.515 -7.439 1.00 0.50 C ATOM 607 O ASP A 39 -2.260 -1.588 -7.744 1.00 0.64 O ATOM 608 CB ASP A 39 -1.959 1.720 -8.529 1.00 1.08 C ATOM 609 CG ASP A 39 -2.522 1.465 -9.914 1.00 1.73 C ATOM 610 OD1 ASP A 39 -2.378 0.335 -10.425 1.00 2.16 O ATOM 611 OD2 ASP A 39 -3.114 2.395 -10.501 1.00 2.47 O ATOM 0 H ASP A 39 -1.977 2.200 -6.064 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.573 0.526 -7.773 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -2.162 2.751 -8.240 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -0.876 1.603 -8.551 1.00 1.08 H new ATOM 616 N HIS A 40 -0.480 -0.421 -7.046 1.00 0.37 N ATOM 617 CA HIS A 40 0.366 -1.606 -6.984 1.00 0.44 C ATOM 618 C HIS A 40 1.285 -1.579 -5.766 1.00 0.39 C ATOM 619 O HIS A 40 1.431 -0.550 -5.104 1.00 0.42 O ATOM 620 CB HIS A 40 1.174 -1.769 -8.287 1.00 0.72 C ATOM 621 CG HIS A 40 2.197 -0.695 -8.555 1.00 0.72 C ATOM 622 ND1 HIS A 40 2.201 0.066 -9.703 1.00 1.59 N ATOM 623 CD2 HIS A 40 3.275 -0.289 -7.839 1.00 0.92 C ATOM 624 CE1 HIS A 40 3.234 0.888 -9.682 1.00 2.12 C ATOM 625 NE2 HIS A 40 3.899 0.692 -8.561 1.00 1.64 N ATOM 0 H HIS A 40 -0.024 0.448 -6.769 1.00 0.37 H new ATOM 0 HA HIS A 40 -0.286 -2.473 -6.877 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.683 -2.733 -8.260 1.00 0.72 H new ATOM 0 HB3 HIS A 40 0.477 -1.800 -9.125 1.00 0.72 H new ATOM 0 HD2 HIS A 40 3.584 -0.670 -6.877 1.00 0.92 H new ATOM 0 HE1 HIS A 40 3.491 1.600 -10.452 1.00 2.12 H new ATOM 0 HE2 HIS A 40 4.742 1.191 -8.277 1.00 1.64 H new ATOM 634 N THR A 41 1.907 -2.719 -5.488 1.00 0.41 N ATOM 635 CA THR A 41 2.807 -2.859 -4.355 1.00 0.45 C ATOM 636 C THR A 41 3.960 -3.793 -4.717 1.00 0.54 C ATOM 637 O THR A 41 3.762 -4.995 -4.894 1.00 0.73 O ATOM 638 CB THR A 41 2.069 -3.421 -3.121 1.00 0.48 C ATOM 639 OG1 THR A 41 0.729 -2.914 -3.074 1.00 0.48 O ATOM 640 CG2 THR A 41 2.798 -3.055 -1.837 1.00 0.55 C ATOM 0 H THR A 41 1.800 -3.569 -6.042 1.00 0.41 H new ATOM 0 HA THR A 41 3.192 -1.869 -4.111 1.00 0.45 H new ATOM 0 HB THR A 41 2.044 -4.507 -3.209 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.643 -2.287 -2.326 1.00 0.48 H new ATOM 0 HG21 THR A 41 2.257 -3.463 -0.983 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.806 -3.469 -1.860 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.854 -1.970 -1.747 1.00 0.55 H new ATOM 648 N GLY A 42 5.149 -3.233 -4.859 1.00 0.55 N ATOM 649 CA GLY A 42 6.308 -4.029 -5.204 1.00 0.66 C ATOM 650 C GLY A 42 7.309 -4.069 -4.076 1.00 0.64 C ATOM 651 O GLY A 42 8.160 -3.191 -3.964 1.00 0.70 O ATOM 0 H GLY A 42 5.334 -2.237 -4.741 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.994 -5.044 -5.449 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.780 -3.618 -6.096 1.00 0.66 H new ATOM 655 N VAL A 43 7.204 -5.091 -3.244 1.00 0.67 N ATOM 656 CA VAL A 43 8.082 -5.246 -2.093 1.00 0.71 C ATOM 657 C VAL A 43 9.202 -6.242 -2.380 1.00 0.74 C ATOM 658 O VAL A 43 9.037 -7.160 -3.180 1.00 0.82 O ATOM 659 CB VAL A 43 7.289 -5.718 -0.852 1.00 0.79 C ATOM 660 CG1 VAL A 43 8.129 -5.606 0.410 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.001 -4.924 -0.705 1.00 0.80 C ATOM 0 H VAL A 43 6.512 -5.834 -3.345 1.00 0.67 H new ATOM 0 HA VAL A 43 8.520 -4.269 -1.891 1.00 0.71 H new ATOM 0 HB VAL A 43 7.035 -6.768 -0.997 1.00 0.79 H new ATOM 0 HG11 VAL A 43 7.546 -5.945 1.266 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.020 -6.226 0.310 1.00 0.93 H new ATOM 0 HG13 VAL A 43 8.424 -4.567 0.560 1.00 0.93 H new ATOM 0 HG21 VAL A 43 5.458 -5.271 0.174 1.00 0.80 H new ATOM 0 HG22 VAL A 43 6.237 -3.866 -0.591 1.00 0.80 H new ATOM 0 HG23 VAL A 43 5.384 -5.065 -1.592 1.00 0.80 H new ATOM 671 N SER A 44 10.340 -6.045 -1.730 1.00 0.82 N ATOM 672 CA SER A 44 11.481 -6.926 -1.897 1.00 0.90 C ATOM 673 C SER A 44 11.164 -8.316 -1.348 1.00 1.01 C ATOM 674 O SER A 44 10.499 -8.451 -0.314 1.00 1.32 O ATOM 675 CB SER A 44 12.689 -6.331 -1.179 1.00 1.27 C ATOM 676 OG SER A 44 12.506 -4.940 -0.962 1.00 1.83 O ATOM 0 H SER A 44 10.496 -5.276 -1.078 1.00 0.82 H new ATOM 0 HA SER A 44 11.708 -7.024 -2.959 1.00 0.90 H new ATOM 0 HB2 SER A 44 12.837 -6.837 -0.225 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.589 -6.497 -1.771 1.00 1.27 H new ATOM 0 HG SER A 44 13.103 -4.639 -0.246 1.00 1.83 H new ATOM 682 N ASP A 45 11.633 -9.341 -2.040 1.00 1.10 N ATOM 683 CA ASP A 45 11.383 -10.708 -1.622 1.00 1.45 C ATOM 684 C ASP A 45 12.585 -11.594 -1.904 1.00 1.27 C ATOM 685 O ASP A 45 12.957 -11.806 -3.059 1.00 1.73 O ATOM 686 CB ASP A 45 10.147 -11.266 -2.326 1.00 2.05 C ATOM 687 CG ASP A 45 9.868 -12.700 -1.938 1.00 2.57 C ATOM 688 OD1 ASP A 45 9.414 -12.930 -0.797 1.00 2.90 O ATOM 689 OD2 ASP A 45 10.110 -13.602 -2.770 1.00 3.12 O ATOM 0 H ASP A 45 12.187 -9.252 -2.891 1.00 1.10 H new ATOM 0 HA ASP A 45 11.205 -10.701 -0.547 1.00 1.45 H new ATOM 0 HB2 ASP A 45 9.282 -10.650 -2.080 1.00 2.05 H new ATOM 0 HB3 ASP A 45 10.287 -11.204 -3.405 1.00 2.05 H new ATOM 694 N GLU A 46 13.192 -12.098 -0.840 1.00 1.36 N ATOM 695 CA GLU A 46 14.353 -12.969 -0.957 1.00 1.66 C ATOM 696 C GLU A 46 14.081 -14.315 -0.291 1.00 1.96 C ATOM 697 O GLU A 46 14.404 -15.371 -0.837 1.00 2.52 O ATOM 698 CB GLU A 46 15.579 -12.319 -0.318 1.00 2.19 C ATOM 699 CG GLU A 46 15.939 -10.965 -0.904 1.00 2.65 C ATOM 700 CD GLU A 46 17.048 -10.283 -0.132 1.00 3.34 C ATOM 701 OE1 GLU A 46 18.083 -10.934 0.135 1.00 3.80 O ATOM 702 OE2 GLU A 46 16.891 -9.098 0.221 1.00 3.79 O ATOM 0 H GLU A 46 12.898 -11.918 0.120 1.00 1.36 H new ATOM 0 HA GLU A 46 14.549 -13.130 -2.017 1.00 1.66 H new ATOM 0 HB2 GLU A 46 15.400 -12.204 0.751 1.00 2.19 H new ATOM 0 HB3 GLU A 46 16.431 -12.989 -0.429 1.00 2.19 H new ATOM 0 HG2 GLU A 46 16.246 -11.091 -1.942 1.00 2.65 H new ATOM 0 HG3 GLU A 46 15.056 -10.326 -0.908 1.00 2.65 H new ATOM 709 N LEU A 47 13.487 -14.270 0.893 1.00 2.08 N ATOM 710 CA LEU A 47 13.168 -15.478 1.643 1.00 2.74 C ATOM 711 C LEU A 47 11.701 -15.845 1.470 1.00 2.84 C ATOM 712 O LEU A 47 11.351 -17.016 1.322 1.00 3.61 O ATOM 713 CB LEU A 47 13.471 -15.269 3.130 1.00 3.16 C ATOM 714 CG LEU A 47 13.018 -16.395 4.058 1.00 3.70 C ATOM 715 CD1 LEU A 47 14.214 -17.192 4.547 1.00 4.35 C ATOM 716 CD2 LEU A 47 12.233 -15.830 5.230 1.00 4.47 C ATOM 0 H LEU A 47 13.214 -13.404 1.358 1.00 2.08 H new ATOM 0 HA LEU A 47 13.783 -16.292 1.258 1.00 2.74 H new ATOM 0 HB2 LEU A 47 14.546 -15.135 3.248 1.00 3.16 H new ATOM 0 HB3 LEU A 47 12.996 -14.342 3.453 1.00 3.16 H new ATOM 0 HG LEU A 47 12.365 -17.066 3.499 1.00 3.70 H new ATOM 0 HD11 LEU A 47 13.874 -17.990 5.207 1.00 4.35 H new ATOM 0 HD12 LEU A 47 14.737 -17.624 3.694 1.00 4.35 H new ATOM 0 HD13 LEU A 47 14.891 -16.534 5.092 1.00 4.35 H new ATOM 0 HD21 LEU A 47 11.917 -16.644 5.882 1.00 4.47 H new ATOM 0 HD22 LEU A 47 12.863 -15.139 5.791 1.00 4.47 H new ATOM 0 HD23 LEU A 47 11.355 -15.301 4.859 1.00 4.47 H new ATOM 728 N GLY A 48 10.851 -14.832 1.482 1.00 2.46 N ATOM 729 CA GLY A 48 9.427 -15.052 1.347 1.00 3.19 C ATOM 730 C GLY A 48 8.673 -14.574 2.569 1.00 3.20 C ATOM 731 O GLY A 48 7.451 -14.703 2.649 1.00 3.86 O ATOM 0 H GLY A 48 11.124 -13.854 1.584 1.00 2.46 H new ATOM 0 HA2 GLY A 48 9.059 -14.529 0.464 1.00 3.19 H new ATOM 0 HA3 GLY A 48 9.235 -16.114 1.192 1.00 3.19 H new ATOM 735 N GLY A 49 9.409 -14.022 3.525 1.00 2.85 N ATOM 736 CA GLY A 49 8.804 -13.523 4.742 1.00 3.05 C ATOM 737 C GLY A 49 9.371 -12.179 5.145 1.00 2.17 C ATOM 738 O GLY A 49 10.005 -12.050 6.193 1.00 2.73 O ATOM 0 H GLY A 49 10.422 -13.911 3.477 1.00 2.85 H new ATOM 0 HA2 GLY A 49 7.727 -13.435 4.602 1.00 3.05 H new ATOM 0 HA3 GLY A 49 8.963 -14.240 5.547 1.00 3.05 H new ATOM 742 N GLN A 50 9.169 -11.182 4.297 1.00 1.42 N ATOM 743 CA GLN A 50 9.661 -9.840 4.564 1.00 1.52 C ATOM 744 C GLN A 50 8.512 -8.930 4.982 1.00 1.37 C ATOM 745 O GLN A 50 7.482 -8.864 4.307 1.00 2.20 O ATOM 746 CB GLN A 50 10.364 -9.265 3.329 1.00 2.43 C ATOM 747 CG GLN A 50 11.575 -10.069 2.864 1.00 2.96 C ATOM 748 CD GLN A 50 11.212 -11.274 2.009 1.00 3.04 C ATOM 749 OE1 GLN A 50 11.875 -12.310 2.061 1.00 3.39 O ATOM 750 NE2 GLN A 50 10.173 -11.144 1.198 1.00 3.44 N ATOM 0 H GLN A 50 8.666 -11.278 3.415 1.00 1.42 H new ATOM 0 HA GLN A 50 10.383 -9.896 5.379 1.00 1.52 H new ATOM 0 HB2 GLN A 50 9.646 -9.206 2.511 1.00 2.43 H new ATOM 0 HB3 GLN A 50 10.682 -8.246 3.548 1.00 2.43 H new ATOM 0 HG2 GLN A 50 12.238 -9.417 2.295 1.00 2.96 H new ATOM 0 HG3 GLN A 50 12.133 -10.408 3.737 1.00 2.96 H new ATOM 0 HE21 GLN A 50 9.646 -10.271 1.181 1.00 3.44 H new ATOM 0 HE22 GLN A 50 9.900 -11.917 0.591 1.00 3.44 H new ATOM 759 N GLY A 51 8.700 -8.223 6.088 1.00 1.01 N ATOM 760 CA GLY A 51 7.675 -7.330 6.590 1.00 1.11 C ATOM 761 C GLY A 51 7.839 -5.911 6.085 1.00 0.88 C ATOM 762 O GLY A 51 7.223 -4.985 6.609 1.00 0.86 O ATOM 0 H GLY A 51 9.551 -8.253 6.650 1.00 1.01 H new ATOM 0 HA2 GLY A 51 6.695 -7.706 6.295 1.00 1.11 H new ATOM 0 HA3 GLY A 51 7.701 -7.329 7.680 1.00 1.11 H new ATOM 766 N VAL A 52 8.665 -5.744 5.060 1.00 0.80 N ATOM 767 CA VAL A 52 8.913 -4.430 4.472 1.00 0.68 C ATOM 768 C VAL A 52 7.618 -3.820 3.934 1.00 0.58 C ATOM 769 O VAL A 52 7.409 -2.607 4.010 1.00 0.56 O ATOM 770 CB VAL A 52 9.951 -4.520 3.333 1.00 0.70 C ATOM 771 CG1 VAL A 52 10.313 -3.139 2.811 1.00 0.91 C ATOM 772 CG2 VAL A 52 11.198 -5.254 3.803 1.00 1.14 C ATOM 0 H VAL A 52 9.178 -6.505 4.615 1.00 0.80 H new ATOM 0 HA VAL A 52 9.308 -3.789 5.260 1.00 0.68 H new ATOM 0 HB VAL A 52 9.503 -5.083 2.515 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.046 -3.233 2.010 1.00 0.91 H new ATOM 0 HG12 VAL A 52 9.418 -2.649 2.428 1.00 0.91 H new ATOM 0 HG13 VAL A 52 10.735 -2.543 3.620 1.00 0.91 H new ATOM 0 HG21 VAL A 52 11.918 -5.308 2.987 1.00 1.14 H new ATOM 0 HG22 VAL A 52 11.641 -4.718 4.643 1.00 1.14 H new ATOM 0 HG23 VAL A 52 10.930 -6.263 4.117 1.00 1.14 H new ATOM 782 N GLY A 53 6.740 -4.673 3.417 1.00 0.59 N ATOM 783 CA GLY A 53 5.473 -4.204 2.883 1.00 0.58 C ATOM 784 C GLY A 53 4.591 -3.596 3.953 1.00 0.51 C ATOM 785 O GLY A 53 3.804 -2.690 3.682 1.00 0.50 O ATOM 0 H GLY A 53 6.883 -5.681 3.358 1.00 0.59 H new ATOM 0 HA2 GLY A 53 5.660 -3.464 2.105 1.00 0.58 H new ATOM 0 HA3 GLY A 53 4.949 -5.036 2.412 1.00 0.58 H new ATOM 789 N LYS A 54 4.749 -4.084 5.177 1.00 0.52 N ATOM 790 CA LYS A 54 3.975 -3.592 6.305 1.00 0.50 C ATOM 791 C LYS A 54 4.379 -2.163 6.627 1.00 0.48 C ATOM 792 O LYS A 54 3.535 -1.326 6.924 1.00 0.48 O ATOM 793 CB LYS A 54 4.190 -4.483 7.532 1.00 0.59 C ATOM 794 CG LYS A 54 3.844 -5.943 7.293 1.00 0.75 C ATOM 795 CD LYS A 54 4.316 -6.823 8.438 1.00 1.08 C ATOM 796 CE LYS A 54 3.220 -7.765 8.904 1.00 1.49 C ATOM 797 NZ LYS A 54 3.709 -8.734 9.916 1.00 2.02 N ATOM 0 H LYS A 54 5.410 -4.824 5.412 1.00 0.52 H new ATOM 0 HA LYS A 54 2.918 -3.615 6.038 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.232 -4.412 7.844 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.584 -4.105 8.356 1.00 0.59 H new ATOM 0 HG2 LYS A 54 2.766 -6.047 7.174 1.00 0.75 H new ATOM 0 HG3 LYS A 54 4.302 -6.279 6.362 1.00 0.75 H new ATOM 0 HD2 LYS A 54 5.183 -7.401 8.120 1.00 1.08 H new ATOM 0 HD3 LYS A 54 4.638 -6.197 9.270 1.00 1.08 H new ATOM 0 HE2 LYS A 54 2.399 -7.185 9.325 1.00 1.49 H new ATOM 0 HE3 LYS A 54 2.820 -8.307 8.047 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 3.627 -9.700 9.540 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 4.705 -8.532 10.137 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 3.138 -8.650 10.781 1.00 2.02 H new ATOM 811 N LYS A 55 5.675 -1.892 6.543 1.00 0.51 N ATOM 812 CA LYS A 55 6.203 -0.562 6.820 1.00 0.54 C ATOM 813 C LYS A 55 5.652 0.447 5.819 1.00 0.47 C ATOM 814 O LYS A 55 5.258 1.554 6.187 1.00 0.48 O ATOM 815 CB LYS A 55 7.735 -0.578 6.768 1.00 0.65 C ATOM 816 CG LYS A 55 8.405 -0.820 8.117 1.00 1.28 C ATOM 817 CD LYS A 55 7.799 -2.004 8.855 1.00 1.72 C ATOM 818 CE LYS A 55 8.551 -2.305 10.142 1.00 2.30 C ATOM 819 NZ LYS A 55 9.713 -3.205 9.913 1.00 2.57 N ATOM 0 H LYS A 55 6.383 -2.579 6.284 1.00 0.51 H new ATOM 0 HA LYS A 55 5.890 -0.265 7.821 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.055 -1.353 6.072 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.084 0.374 6.368 1.00 0.65 H new ATOM 0 HG2 LYS A 55 9.470 -0.995 7.966 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.313 0.075 8.732 1.00 1.28 H new ATOM 0 HD2 LYS A 55 6.754 -1.795 9.084 1.00 1.72 H new ATOM 0 HD3 LYS A 55 7.814 -2.882 8.210 1.00 1.72 H new ATOM 0 HE2 LYS A 55 8.898 -1.372 10.586 1.00 2.30 H new ATOM 0 HE3 LYS A 55 7.872 -2.766 10.859 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 10.197 -3.384 10.816 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 9.381 -4.106 9.514 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 10.375 -2.755 9.249 1.00 2.57 H new ATOM 833 N LEU A 56 5.611 0.046 4.555 1.00 0.46 N ATOM 834 CA LEU A 56 5.102 0.906 3.494 1.00 0.45 C ATOM 835 C LEU A 56 3.606 1.147 3.663 1.00 0.38 C ATOM 836 O LEU A 56 3.130 2.278 3.553 1.00 0.37 O ATOM 837 CB LEU A 56 5.367 0.275 2.129 1.00 0.54 C ATOM 838 CG LEU A 56 6.839 0.140 1.744 1.00 0.65 C ATOM 839 CD1 LEU A 56 6.971 -0.640 0.447 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.487 1.510 1.607 1.00 0.85 C ATOM 0 H LEU A 56 5.925 -0.872 4.239 1.00 0.46 H new ATOM 0 HA LEU A 56 5.621 1.863 3.556 1.00 0.45 H new ATOM 0 HB2 LEU A 56 4.912 -0.715 2.111 1.00 0.54 H new ATOM 0 HB3 LEU A 56 4.863 0.871 1.368 1.00 0.54 H new ATOM 0 HG LEU A 56 7.355 -0.404 2.535 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.025 -0.730 0.182 1.00 0.86 H new ATOM 0 HD12 LEU A 56 6.543 -1.634 0.575 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.441 -0.116 -0.348 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.535 1.391 1.332 1.00 0.85 H new ATOM 0 HD22 LEU A 56 6.972 2.080 0.834 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.419 2.041 2.556 1.00 0.85 H new ATOM 852 N LEU A 57 2.874 0.076 3.940 1.00 0.37 N ATOM 853 CA LEU A 57 1.433 0.160 4.125 1.00 0.36 C ATOM 854 C LEU A 57 1.105 0.988 5.363 1.00 0.34 C ATOM 855 O LEU A 57 0.159 1.777 5.359 1.00 0.37 O ATOM 856 CB LEU A 57 0.834 -1.244 4.250 1.00 0.43 C ATOM 857 CG LEU A 57 -0.668 -1.346 3.978 1.00 0.72 C ATOM 858 CD1 LEU A 57 -1.004 -0.786 2.607 1.00 1.29 C ATOM 859 CD2 LEU A 57 -1.129 -2.790 4.085 1.00 0.71 C ATOM 0 H LEU A 57 3.257 -0.864 4.042 1.00 0.37 H new ATOM 0 HA LEU A 57 0.997 0.650 3.255 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.356 -1.906 3.559 1.00 0.43 H new ATOM 0 HB3 LEU A 57 1.029 -1.615 5.256 1.00 0.43 H new ATOM 0 HG LEU A 57 -1.193 -0.755 4.729 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -2.077 -0.868 2.433 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.708 0.262 2.559 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.469 -1.349 1.843 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -2.200 -2.846 3.889 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.594 -3.398 3.355 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -0.924 -3.164 5.088 1.00 0.71 H new ATOM 871 N LYS A 58 1.901 0.813 6.415 1.00 0.36 N ATOM 872 CA LYS A 58 1.711 1.545 7.661 1.00 0.42 C ATOM 873 C LYS A 58 1.842 3.045 7.422 1.00 0.41 C ATOM 874 O LYS A 58 1.105 3.839 8.004 1.00 0.44 O ATOM 875 CB LYS A 58 2.732 1.085 8.705 1.00 0.50 C ATOM 876 CG LYS A 58 2.231 1.155 10.141 1.00 0.74 C ATOM 877 CD LYS A 58 2.527 2.503 10.786 1.00 1.10 C ATOM 878 CE LYS A 58 4.024 2.745 10.926 1.00 1.13 C ATOM 879 NZ LYS A 58 4.326 3.783 11.946 1.00 1.39 N ATOM 0 H LYS A 58 2.689 0.165 6.427 1.00 0.36 H new ATOM 0 HA LYS A 58 0.708 1.339 8.035 1.00 0.42 H new ATOM 0 HB2 LYS A 58 3.024 0.058 8.484 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.629 1.698 8.615 1.00 0.50 H new ATOM 0 HG2 LYS A 58 1.156 0.973 10.159 1.00 0.74 H new ATOM 0 HG3 LYS A 58 2.698 0.363 10.726 1.00 0.74 H new ATOM 0 HD2 LYS A 58 2.085 3.298 10.186 1.00 1.10 H new ATOM 0 HD3 LYS A 58 2.058 2.547 11.769 1.00 1.10 H new ATOM 0 HE2 LYS A 58 4.518 1.813 11.200 1.00 1.13 H new ATOM 0 HE3 LYS A 58 4.433 3.052 9.964 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 5.329 4.052 11.881 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 3.732 4.619 11.777 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 4.129 3.405 12.895 1.00 1.39 H new ATOM 893 N ALA A 59 2.778 3.421 6.558 1.00 0.43 N ATOM 894 CA ALA A 59 3.001 4.823 6.229 1.00 0.48 C ATOM 895 C ALA A 59 1.751 5.428 5.601 1.00 0.44 C ATOM 896 O ALA A 59 1.334 6.534 5.954 1.00 0.47 O ATOM 897 CB ALA A 59 4.189 4.966 5.287 1.00 0.56 C ATOM 0 H ALA A 59 3.396 2.772 6.072 1.00 0.43 H new ATOM 0 HA ALA A 59 3.222 5.362 7.150 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.342 6.019 5.051 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.083 4.568 5.766 1.00 0.56 H new ATOM 0 HB3 ALA A 59 3.993 4.413 4.368 1.00 0.56 H new ATOM 903 N VAL A 60 1.148 4.685 4.679 1.00 0.39 N ATOM 904 CA VAL A 60 -0.061 5.135 4.004 1.00 0.38 C ATOM 905 C VAL A 60 -1.211 5.238 5.000 1.00 0.37 C ATOM 906 O VAL A 60 -1.915 6.244 5.041 1.00 0.40 O ATOM 907 CB VAL A 60 -0.459 4.184 2.854 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.692 4.701 2.119 1.00 0.44 C ATOM 909 CG2 VAL A 60 0.702 3.996 1.888 1.00 0.41 C ATOM 0 H VAL A 60 1.479 3.767 4.383 1.00 0.39 H new ATOM 0 HA VAL A 60 0.147 6.116 3.578 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.707 3.215 3.288 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.951 4.013 1.314 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -2.527 4.775 2.816 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -1.480 5.685 1.701 1.00 0.44 H new ATOM 0 HG21 VAL A 60 0.402 3.323 1.085 1.00 0.41 H new ATOM 0 HG22 VAL A 60 0.984 4.961 1.466 1.00 0.41 H new ATOM 0 HG23 VAL A 60 1.553 3.570 2.420 1.00 0.41 H new ATOM 919 N VAL A 61 -1.374 4.198 5.815 1.00 0.36 N ATOM 920 CA VAL A 61 -2.434 4.158 6.822 1.00 0.40 C ATOM 921 C VAL A 61 -2.280 5.308 7.821 1.00 0.44 C ATOM 922 O VAL A 61 -3.261 5.960 8.198 1.00 0.49 O ATOM 923 CB VAL A 61 -2.427 2.806 7.576 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.390 2.825 8.757 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.771 1.666 6.625 1.00 0.43 C ATOM 0 H VAL A 61 -0.782 3.367 5.798 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.387 4.267 6.304 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.423 2.646 7.968 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.361 1.861 9.265 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.097 3.611 9.453 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.401 3.016 8.399 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.762 0.722 7.170 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.762 1.831 6.202 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -2.035 1.628 5.821 1.00 0.43 H new ATOM 935 N GLU A 62 -1.041 5.557 8.226 1.00 0.47 N ATOM 936 CA GLU A 62 -0.729 6.620 9.174 1.00 0.54 C ATOM 937 C GLU A 62 -1.149 7.979 8.626 1.00 0.55 C ATOM 938 O GLU A 62 -1.895 8.719 9.274 1.00 0.61 O ATOM 939 CB GLU A 62 0.772 6.629 9.464 1.00 0.61 C ATOM 940 CG GLU A 62 1.128 7.190 10.829 1.00 1.05 C ATOM 941 CD GLU A 62 1.842 6.177 11.695 1.00 1.17 C ATOM 942 OE1 GLU A 62 3.085 6.109 11.632 1.00 1.53 O ATOM 943 OE2 GLU A 62 1.163 5.438 12.439 1.00 1.76 O ATOM 0 H GLU A 62 -0.227 5.031 7.908 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.282 6.431 10.094 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.153 5.611 9.389 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.277 7.216 8.697 1.00 0.61 H new ATOM 0 HG2 GLU A 62 1.760 8.069 10.705 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.219 7.520 11.333 1.00 1.05 H new ATOM 950 N HIS A 63 -0.678 8.288 7.423 1.00 0.54 N ATOM 951 CA HIS A 63 -0.978 9.558 6.773 1.00 0.61 C ATOM 952 C HIS A 63 -2.462 9.668 6.432 1.00 0.61 C ATOM 953 O HIS A 63 -3.042 10.761 6.454 1.00 0.69 O ATOM 954 CB HIS A 63 -0.131 9.704 5.508 1.00 0.67 C ATOM 955 CG HIS A 63 0.154 11.125 5.137 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.388 12.116 6.066 1.00 0.85 N ATOM 957 CD2 HIS A 63 0.250 11.717 3.925 1.00 0.97 C ATOM 958 CE1 HIS A 63 0.616 13.256 5.441 1.00 0.97 C ATOM 959 NE2 HIS A 63 0.538 13.041 4.142 1.00 1.04 N ATOM 0 H HIS A 63 -0.081 7.669 6.874 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.735 10.364 7.465 1.00 0.61 H new ATOM 0 HB2 HIS A 63 0.813 9.178 5.651 1.00 0.67 H new ATOM 0 HB3 HIS A 63 -0.645 9.217 4.679 1.00 0.67 H new ATOM 0 HD1 HIS A 63 0.385 11.988 7.078 1.00 0.85 H new ATOM 0 HD2 HIS A 63 0.124 11.237 2.966 1.00 0.97 H new ATOM 0 HE1 HIS A 63 0.830 14.204 5.913 1.00 0.97 H new ATOM 968 N ALA A 64 -3.073 8.533 6.120 1.00 0.56 N ATOM 969 CA ALA A 64 -4.485 8.492 5.781 1.00 0.62 C ATOM 970 C ALA A 64 -5.342 8.927 6.956 1.00 0.70 C ATOM 971 O ALA A 64 -6.227 9.761 6.807 1.00 0.85 O ATOM 972 CB ALA A 64 -4.892 7.100 5.325 1.00 0.61 C ATOM 0 H ALA A 64 -2.608 7.625 6.095 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.647 9.190 4.959 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.953 7.094 5.077 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -4.312 6.821 4.445 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.703 6.385 6.126 1.00 0.61 H new ATOM 978 N ARG A 65 -5.063 8.379 8.131 1.00 0.69 N ATOM 979 CA ARG A 65 -5.825 8.718 9.326 1.00 0.82 C ATOM 980 C ARG A 65 -5.677 10.197 9.672 1.00 0.85 C ATOM 981 O ARG A 65 -6.631 10.830 10.122 1.00 0.96 O ATOM 982 CB ARG A 65 -5.386 7.862 10.511 1.00 0.89 C ATOM 983 CG ARG A 65 -6.278 8.031 11.731 1.00 1.36 C ATOM 984 CD ARG A 65 -5.982 6.998 12.802 1.00 1.44 C ATOM 985 NE ARG A 65 -7.129 6.814 13.688 1.00 2.20 N ATOM 986 CZ ARG A 65 -8.087 5.904 13.491 1.00 2.25 C ATOM 987 NH1 ARG A 65 -8.004 5.051 12.471 1.00 1.87 N ATOM 988 NH2 ARG A 65 -9.127 5.846 14.315 1.00 3.12 N ATOM 0 H ARG A 65 -4.317 7.700 8.283 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.875 8.515 9.114 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -5.383 6.814 10.213 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -4.361 8.120 10.779 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -6.141 9.030 12.144 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -7.322 7.951 11.430 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -5.724 6.048 12.334 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -5.116 7.312 13.384 1.00 1.44 H new ATOM 0 HE ARG A 65 -7.203 7.417 14.507 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -7.206 5.091 11.836 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -8.738 4.358 12.325 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -9.194 6.496 15.098 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -9.859 5.151 14.165 1.00 3.12 H new ATOM 1002 N GLU A 66 -4.487 10.742 9.441 1.00 0.79 N ATOM 1003 CA GLU A 66 -4.209 12.147 9.730 1.00 0.88 C ATOM 1004 C GLU A 66 -5.156 13.072 8.971 1.00 0.89 C ATOM 1005 O GLU A 66 -5.635 14.068 9.514 1.00 1.00 O ATOM 1006 CB GLU A 66 -2.770 12.497 9.354 1.00 0.90 C ATOM 1007 CG GLU A 66 -1.717 11.764 10.164 1.00 1.05 C ATOM 1008 CD GLU A 66 -0.314 12.146 9.746 1.00 1.33 C ATOM 1009 OE1 GLU A 66 0.133 11.703 8.669 1.00 1.82 O ATOM 1010 OE2 GLU A 66 0.353 12.897 10.487 1.00 1.38 O ATOM 0 H GLU A 66 -3.695 10.230 9.052 1.00 0.79 H new ATOM 0 HA GLU A 66 -4.358 12.291 10.800 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -2.619 12.275 8.298 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -2.625 13.570 9.478 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -1.853 11.987 11.222 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -1.851 10.689 10.045 1.00 1.05 H new ATOM 1017 N ASN A 67 -5.430 12.734 7.719 1.00 0.82 N ATOM 1018 CA ASN A 67 -6.297 13.560 6.883 1.00 0.87 C ATOM 1019 C ASN A 67 -7.677 12.932 6.693 1.00 0.89 C ATOM 1020 O ASN A 67 -8.484 13.426 5.903 1.00 0.97 O ATOM 1021 CB ASN A 67 -5.635 13.793 5.521 1.00 0.86 C ATOM 1022 CG ASN A 67 -4.336 14.570 5.629 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -4.326 15.798 5.565 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -3.227 13.860 5.790 1.00 1.09 N ATOM 0 H ASN A 67 -5.068 11.899 7.259 1.00 0.82 H new ATOM 0 HA ASN A 67 -6.439 14.513 7.393 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -5.440 12.831 5.046 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -6.325 14.334 4.874 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -2.326 14.332 5.865 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -3.276 12.842 5.839 1.00 1.09 H new ATOM 1031 N ASN A 68 -7.948 11.860 7.437 1.00 0.88 N ATOM 1032 CA ASN A 68 -9.228 11.147 7.352 1.00 0.94 C ATOM 1033 C ASN A 68 -9.491 10.696 5.912 1.00 0.87 C ATOM 1034 O ASN A 68 -10.525 11.001 5.317 1.00 0.94 O ATOM 1035 CB ASN A 68 -10.375 12.028 7.871 1.00 1.10 C ATOM 1036 CG ASN A 68 -11.652 11.246 8.131 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -12.588 11.275 7.330 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -11.705 10.552 9.257 1.00 2.18 N ATOM 0 H ASN A 68 -7.294 11.462 8.111 1.00 0.88 H new ATOM 0 HA ASN A 68 -9.175 10.260 7.983 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -10.061 12.518 8.793 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -10.579 12.815 7.145 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -12.542 10.016 9.487 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -10.909 10.553 9.895 1.00 2.18 H new ATOM 1045 N LEU A 69 -8.529 9.975 5.359 1.00 0.78 N ATOM 1046 CA LEU A 69 -8.622 9.480 3.997 1.00 0.73 C ATOM 1047 C LEU A 69 -9.062 8.023 3.977 1.00 0.70 C ATOM 1048 O LEU A 69 -8.614 7.218 4.795 1.00 0.70 O ATOM 1049 CB LEU A 69 -7.271 9.606 3.282 1.00 0.66 C ATOM 1050 CG LEU A 69 -6.591 10.972 3.384 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -5.206 10.922 2.754 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -7.438 12.042 2.714 1.00 0.77 C ATOM 0 H LEU A 69 -7.667 9.718 5.839 1.00 0.78 H new ATOM 0 HA LEU A 69 -9.365 10.085 3.477 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -6.595 8.853 3.687 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -7.415 9.371 2.228 1.00 0.66 H new ATOM 0 HG LEU A 69 -6.486 11.226 4.439 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -4.734 11.901 2.834 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -4.597 10.182 3.273 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -5.294 10.647 1.703 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -6.938 13.007 2.797 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -7.573 11.793 1.662 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -8.411 12.095 3.203 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.945 7.702 3.047 1.00 0.72 N ATOM 1065 CA LYS A 70 -10.437 6.346 2.882 1.00 0.70 C ATOM 1066 C LYS A 70 -9.439 5.557 2.049 1.00 0.62 C ATOM 1067 O LYS A 70 -8.986 6.033 1.005 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.805 6.360 2.203 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.947 6.700 3.146 1.00 0.80 C ATOM 1070 CD LYS A 70 -14.276 6.758 2.411 1.00 1.70 C ATOM 1071 CE LYS A 70 -14.489 8.109 1.746 1.00 1.93 C ATOM 1072 NZ LYS A 70 -15.571 8.062 0.728 1.00 3.05 N ATOM 0 H LYS A 70 -10.340 8.372 2.387 1.00 0.72 H new ATOM 0 HA LYS A 70 -10.548 5.875 3.859 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.790 7.084 1.388 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.991 5.383 1.758 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -13.000 5.954 3.939 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -12.752 7.660 3.624 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -14.310 5.971 1.657 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -15.089 6.564 3.111 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -14.736 8.852 2.504 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -13.561 8.432 1.274 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -15.964 9.016 0.595 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -15.184 7.718 -0.174 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -16.323 7.420 1.050 1.00 3.05 H new ATOM 1086 N ILE A 71 -9.092 4.363 2.505 1.00 0.62 N ATOM 1087 CA ILE A 71 -8.117 3.543 1.799 1.00 0.57 C ATOM 1088 C ILE A 71 -8.760 2.376 1.061 1.00 0.56 C ATOM 1089 O ILE A 71 -9.539 1.607 1.630 1.00 0.62 O ATOM 1090 CB ILE A 71 -7.035 2.999 2.759 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -6.258 4.160 3.385 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -6.087 2.047 2.027 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -5.115 3.716 4.267 1.00 0.86 C ATOM 0 H ILE A 71 -9.467 3.942 3.355 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.654 4.200 1.063 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.526 2.437 3.554 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -5.867 4.795 2.590 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -6.944 4.770 3.973 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.334 1.677 2.723 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.654 1.207 1.625 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.597 2.578 1.211 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.610 4.591 4.676 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -5.501 3.105 5.083 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -4.408 3.131 3.679 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.423 2.270 -0.216 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.898 1.199 -1.077 1.00 0.54 C ATOM 1107 C ILE A 72 -7.729 0.692 -1.908 1.00 0.50 C ATOM 1108 O ILE A 72 -6.903 1.483 -2.351 1.00 0.75 O ATOM 1109 CB ILE A 72 -10.041 1.655 -2.011 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.832 3.104 -2.461 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.383 1.495 -1.315 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.860 3.582 -3.461 1.00 0.99 C ATOM 0 H ILE A 72 -7.806 2.932 -0.687 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.300 0.408 -0.444 1.00 0.54 H new ATOM 0 HB ILE A 72 -10.034 1.024 -2.900 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.858 3.754 -1.587 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.839 3.200 -2.900 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -12.180 1.820 -1.983 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.534 0.448 -1.052 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.398 2.102 -0.410 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -10.649 4.616 -3.734 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.819 2.956 -4.352 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.854 3.519 -3.019 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.635 -0.612 -2.102 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.530 -1.175 -2.869 1.00 0.43 C ATOM 1126 C ALA A 73 -7.030 -2.071 -3.986 1.00 0.43 C ATOM 1127 O ALA A 73 -7.976 -2.835 -3.803 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.590 -1.950 -1.960 1.00 0.50 C ATOM 0 H ALA A 73 -8.301 -1.297 -1.745 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.985 -0.345 -3.319 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.772 -2.363 -2.550 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.187 -1.282 -1.198 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.136 -2.762 -1.479 1.00 0.50 H new ATOM 1134 N SER A 74 -6.398 -1.966 -5.145 1.00 0.48 N ATOM 1135 CA SER A 74 -6.770 -2.779 -6.289 1.00 0.53 C ATOM 1136 C SER A 74 -5.895 -4.027 -6.359 1.00 0.46 C ATOM 1137 O SER A 74 -6.318 -5.076 -6.850 1.00 0.55 O ATOM 1138 CB SER A 74 -6.637 -1.960 -7.570 1.00 0.69 C ATOM 1139 OG SER A 74 -7.114 -0.637 -7.373 1.00 0.94 O ATOM 0 H SER A 74 -5.624 -1.324 -5.317 1.00 0.48 H new ATOM 0 HA SER A 74 -7.808 -3.094 -6.179 1.00 0.53 H new ATOM 0 HB2 SER A 74 -5.593 -1.933 -7.883 1.00 0.69 H new ATOM 0 HB3 SER A 74 -7.198 -2.438 -8.373 1.00 0.69 H new ATOM 0 HG SER A 74 -7.425 -0.271 -8.227 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.675 -3.902 -5.848 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.724 -5.003 -5.836 1.00 0.48 C ATOM 1147 C CYS A 75 -4.162 -6.069 -4.844 1.00 0.45 C ATOM 1148 O CYS A 75 -4.499 -5.759 -3.701 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.338 -4.481 -5.469 1.00 0.59 C ATOM 1150 SG CYS A 75 -2.334 -2.758 -4.927 1.00 1.31 S ATOM 0 H CYS A 75 -4.321 -3.040 -5.433 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.687 -5.450 -6.830 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -1.923 -5.103 -4.676 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -1.680 -4.583 -6.332 1.00 0.59 H new ATOM 0 HG CYS A 75 -1.280 -2.534 -4.200 1.00 1.31 H new ATOM 1156 N SER A 76 -4.145 -7.320 -5.284 1.00 0.57 N ATOM 1157 CA SER A 76 -4.558 -8.436 -4.449 1.00 0.64 C ATOM 1158 C SER A 76 -3.707 -8.543 -3.184 1.00 0.61 C ATOM 1159 O SER A 76 -4.220 -8.874 -2.116 1.00 0.61 O ATOM 1160 CB SER A 76 -4.479 -9.728 -5.258 1.00 0.82 C ATOM 1161 OG SER A 76 -4.629 -9.458 -6.645 1.00 1.12 O ATOM 0 H SER A 76 -3.847 -7.587 -6.222 1.00 0.57 H new ATOM 0 HA SER A 76 -5.586 -8.265 -4.130 1.00 0.64 H new ATOM 0 HB2 SER A 76 -3.522 -10.218 -5.079 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.257 -10.417 -4.930 1.00 0.82 H new ATOM 0 HG SER A 76 -4.574 -10.297 -7.149 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.418 -8.241 -3.306 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.504 -8.313 -2.172 1.00 0.62 C ATOM 1169 C PHE A 77 -1.858 -7.273 -1.112 1.00 0.55 C ATOM 1170 O PHE A 77 -2.112 -7.614 0.045 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.057 -8.113 -2.632 1.00 0.68 C ATOM 1172 CG PHE A 77 0.933 -8.143 -1.502 1.00 0.74 C ATOM 1173 CD1 PHE A 77 1.298 -9.344 -0.922 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.486 -6.969 -1.013 1.00 0.77 C ATOM 1175 CE1 PHE A 77 2.195 -9.378 0.126 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.387 -6.997 0.033 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.741 -8.204 0.604 1.00 0.95 C ATOM 0 H PHE A 77 -1.983 -7.944 -4.179 1.00 0.63 H new ATOM 0 HA PHE A 77 -1.603 -9.305 -1.730 1.00 0.62 H new ATOM 0 HB2 PHE A 77 0.199 -8.890 -3.352 1.00 0.68 H new ATOM 0 HB3 PHE A 77 0.024 -7.158 -3.152 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.876 -10.266 -1.294 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.209 -6.023 -1.455 1.00 0.77 H new ATOM 0 HE1 PHE A 77 2.470 -10.323 0.572 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.814 -6.077 0.404 1.00 0.87 H new ATOM 0 HZ PHE A 77 3.444 -8.229 1.423 1.00 0.95 H new ATOM 1187 N ALA A 78 -1.876 -6.008 -1.520 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.186 -4.908 -0.611 1.00 0.46 C ATOM 1189 C ALA A 78 -3.570 -5.076 -0.003 1.00 0.44 C ATOM 1190 O ALA A 78 -3.765 -4.854 1.192 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.079 -3.576 -1.335 1.00 0.47 C ATOM 0 H ALA A 78 -1.679 -5.718 -2.478 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.458 -4.923 0.200 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.313 -2.766 -0.644 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.065 -3.448 -1.714 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.782 -3.557 -2.168 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.522 -5.483 -0.831 1.00 0.44 N ATOM 1198 CA LYS A 79 -5.889 -5.697 -0.383 1.00 0.47 C ATOM 1199 C LYS A 79 -5.929 -6.802 0.670 1.00 0.52 C ATOM 1200 O LYS A 79 -6.633 -6.695 1.673 1.00 0.55 O ATOM 1201 CB LYS A 79 -6.771 -6.063 -1.575 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.259 -6.015 -1.284 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.072 -6.099 -2.569 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.557 -6.254 -2.290 1.00 1.11 C ATOM 1205 NZ LYS A 79 -10.854 -7.524 -1.585 1.00 1.27 N ATOM 0 H LYS A 79 -4.370 -5.672 -1.822 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.267 -4.779 0.066 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.551 -5.383 -2.398 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.510 -7.066 -1.912 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.530 -6.839 -0.624 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.500 -5.092 -0.757 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -8.906 -5.200 -3.163 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -8.724 -6.943 -3.164 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -10.904 -5.414 -1.688 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -11.109 -6.222 -3.229 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -11.679 -7.980 -2.024 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -10.032 -8.158 -1.651 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -11.060 -7.326 -0.585 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.148 -7.853 0.438 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.073 -8.979 1.363 1.00 0.64 C ATOM 1221 C HIS A 80 -4.453 -8.540 2.685 1.00 0.60 C ATOM 1222 O HIS A 80 -4.853 -9.003 3.750 1.00 0.60 O ATOM 1223 CB HIS A 80 -4.250 -10.122 0.748 1.00 0.77 C ATOM 1224 CG HIS A 80 -4.040 -11.292 1.665 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -5.057 -12.125 2.070 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -2.915 -11.764 2.253 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -4.568 -13.059 2.864 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -3.269 -12.864 2.991 1.00 1.13 N ATOM 0 H HIS A 80 -4.556 -7.948 -0.387 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.085 -9.338 1.553 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -4.750 -10.469 -0.156 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -3.278 -9.733 0.446 1.00 0.77 H new ATOM 0 HD2 HIS A 80 -1.922 -11.350 2.158 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -5.136 -13.850 3.331 1.00 1.21 H new ATOM 0 HE2 HIS A 80 -2.633 -13.437 3.546 1.00 1.13 H new ATOM 1237 N MET A 81 -3.471 -7.651 2.605 1.00 0.58 N ATOM 1238 CA MET A 81 -2.794 -7.147 3.794 1.00 0.59 C ATOM 1239 C MET A 81 -3.728 -6.275 4.622 1.00 0.54 C ATOM 1240 O MET A 81 -3.776 -6.395 5.848 1.00 0.58 O ATOM 1241 CB MET A 81 -1.543 -6.358 3.408 1.00 0.64 C ATOM 1242 CG MET A 81 -0.341 -7.236 3.114 1.00 1.25 C ATOM 1243 SD MET A 81 1.217 -6.328 3.146 1.00 1.51 S ATOM 1244 CE MET A 81 1.240 -5.741 4.838 1.00 1.09 C ATOM 0 H MET A 81 -3.125 -7.263 1.727 1.00 0.58 H new ATOM 0 HA MET A 81 -2.495 -8.004 4.398 1.00 0.59 H new ATOM 0 HB2 MET A 81 -1.763 -5.750 2.530 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.292 -5.671 4.216 1.00 0.64 H new ATOM 0 HG2 MET A 81 -0.300 -8.044 3.845 1.00 1.25 H new ATOM 0 HG3 MET A 81 -0.466 -7.698 2.135 1.00 1.25 H new ATOM 0 HE1 MET A 81 2.267 -5.531 5.136 1.00 1.09 H new ATOM 0 HE2 MET A 81 0.646 -4.830 4.915 1.00 1.09 H new ATOM 0 HE3 MET A 81 0.820 -6.504 5.494 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.480 -5.413 3.945 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.425 -4.528 4.618 1.00 0.51 C ATOM 1256 C LEU A 82 -6.518 -5.344 5.301 1.00 0.56 C ATOM 1257 O LEU A 82 -7.000 -4.985 6.375 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.052 -3.552 3.617 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.083 -2.549 2.982 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.716 -1.892 1.768 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.661 -1.497 3.996 1.00 0.49 C ATOM 0 H LEU A 82 -4.454 -5.308 2.931 1.00 0.50 H new ATOM 0 HA LEU A 82 -4.884 -3.957 5.373 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.525 -4.128 2.822 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -6.843 -2.997 4.123 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.194 -3.090 2.658 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -5.013 -1.183 1.330 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -5.968 -2.655 1.031 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.622 -1.366 2.070 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -3.973 -0.794 3.526 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.541 -0.961 4.352 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.166 -1.981 4.838 1.00 0.49 H new ATOM 1273 N GLU A 83 -6.899 -6.447 4.668 1.00 0.62 N ATOM 1274 CA GLU A 83 -7.925 -7.328 5.205 1.00 0.70 C ATOM 1275 C GLU A 83 -7.363 -8.225 6.305 1.00 0.68 C ATOM 1276 O GLU A 83 -8.108 -8.741 7.133 1.00 0.72 O ATOM 1277 CB GLU A 83 -8.524 -8.182 4.086 1.00 0.85 C ATOM 1278 CG GLU A 83 -9.509 -7.422 3.214 1.00 1.15 C ATOM 1279 CD GLU A 83 -9.870 -8.152 1.934 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -9.499 -9.337 1.783 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -10.534 -7.539 1.069 1.00 1.45 O ATOM 0 H GLU A 83 -6.509 -6.753 3.776 1.00 0.62 H new ATOM 0 HA GLU A 83 -8.708 -6.708 5.641 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -7.718 -8.568 3.461 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -9.027 -9.043 4.525 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -10.418 -7.234 3.785 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -9.085 -6.450 2.962 1.00 1.15 H new ATOM 1288 N LYS A 84 -6.052 -8.402 6.318 1.00 0.67 N ATOM 1289 CA LYS A 84 -5.412 -9.245 7.316 1.00 0.69 C ATOM 1290 C LYS A 84 -5.194 -8.484 8.620 1.00 0.68 C ATOM 1291 O LYS A 84 -5.560 -8.961 9.694 1.00 0.67 O ATOM 1292 CB LYS A 84 -4.076 -9.780 6.785 1.00 0.76 C ATOM 1293 CG LYS A 84 -3.365 -10.733 7.738 1.00 0.99 C ATOM 1294 CD LYS A 84 -2.313 -10.014 8.569 1.00 1.43 C ATOM 1295 CE LYS A 84 -1.980 -10.786 9.835 1.00 1.94 C ATOM 1296 NZ LYS A 84 -0.967 -10.082 10.668 1.00 2.33 N ATOM 0 H LYS A 84 -5.411 -7.974 5.650 1.00 0.67 H new ATOM 0 HA LYS A 84 -6.074 -10.086 7.521 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -4.252 -10.293 5.840 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -3.418 -8.937 6.573 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -4.095 -11.199 8.399 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -2.894 -11.534 7.168 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -1.409 -9.879 7.975 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -2.673 -9.019 8.832 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -2.889 -10.935 10.418 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -1.606 -11.775 9.569 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -0.719 -10.674 11.486 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -0.115 -9.902 10.100 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -1.359 -9.178 11.001 1.00 2.33 H new ATOM 1310 N GLU A 85 -4.602 -7.303 8.523 1.00 0.84 N ATOM 1311 CA GLU A 85 -4.318 -6.499 9.702 1.00 0.96 C ATOM 1312 C GLU A 85 -5.517 -5.640 10.084 1.00 0.93 C ATOM 1313 O GLU A 85 -5.908 -4.738 9.344 1.00 0.86 O ATOM 1314 CB GLU A 85 -3.092 -5.620 9.456 1.00 1.07 C ATOM 1315 CG GLU A 85 -2.283 -5.347 10.714 1.00 1.07 C ATOM 1316 CD GLU A 85 -1.915 -6.617 11.453 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -1.156 -7.437 10.897 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -2.386 -6.805 12.595 1.00 1.60 O ATOM 0 H GLU A 85 -4.309 -6.881 7.642 1.00 0.84 H new ATOM 0 HA GLU A 85 -4.111 -7.174 10.532 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -2.451 -6.102 8.718 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -3.414 -4.671 9.027 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -1.373 -4.809 10.448 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -2.855 -4.698 11.377 1.00 1.07 H new ATOM 1325 N ASP A 86 -6.080 -5.918 11.255 1.00 1.07 N ATOM 1326 CA ASP A 86 -7.243 -5.186 11.760 1.00 1.10 C ATOM 1327 C ASP A 86 -6.949 -3.691 11.885 1.00 1.02 C ATOM 1328 O ASP A 86 -7.839 -2.861 11.695 1.00 0.99 O ATOM 1329 CB ASP A 86 -7.690 -5.751 13.119 1.00 1.36 C ATOM 1330 CG ASP A 86 -6.820 -5.286 14.274 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -5.805 -5.954 14.567 1.00 2.66 O ATOM 1332 OD2 ASP A 86 -7.145 -4.249 14.890 1.00 2.27 O ATOM 0 H ASP A 86 -5.748 -6.652 11.880 1.00 1.07 H new ATOM 0 HA ASP A 86 -8.051 -5.314 11.040 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -8.722 -5.454 13.307 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -7.674 -6.840 13.076 1.00 1.36 H new ATOM 1337 N SER A 87 -5.697 -3.356 12.186 1.00 1.05 N ATOM 1338 CA SER A 87 -5.284 -1.968 12.333 1.00 1.08 C ATOM 1339 C SER A 87 -5.447 -1.209 11.018 1.00 0.93 C ATOM 1340 O SER A 87 -5.788 -0.027 11.009 1.00 0.97 O ATOM 1341 CB SER A 87 -3.829 -1.911 12.800 1.00 1.27 C ATOM 1342 OG SER A 87 -3.422 -3.163 13.325 1.00 1.46 O ATOM 0 H SER A 87 -4.949 -4.033 12.333 1.00 1.05 H new ATOM 0 HA SER A 87 -5.921 -1.492 13.079 1.00 1.08 H new ATOM 0 HB2 SER A 87 -3.185 -1.634 11.966 1.00 1.27 H new ATOM 0 HB3 SER A 87 -3.716 -1.138 13.560 1.00 1.27 H new ATOM 0 HG SER A 87 -2.488 -3.107 13.617 1.00 1.46 H new ATOM 1348 N TYR A 88 -5.219 -1.895 9.906 1.00 0.91 N ATOM 1349 CA TYR A 88 -5.342 -1.277 8.594 1.00 0.88 C ATOM 1350 C TYR A 88 -6.775 -1.412 8.094 1.00 0.89 C ATOM 1351 O TYR A 88 -7.271 -0.572 7.345 1.00 0.80 O ATOM 1352 CB TYR A 88 -4.389 -1.926 7.584 1.00 0.93 C ATOM 1353 CG TYR A 88 -2.944 -2.033 8.033 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -2.409 -1.181 8.993 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -2.111 -2.998 7.481 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -1.087 -1.293 9.388 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -0.793 -3.115 7.869 1.00 0.97 C ATOM 1358 CZ TYR A 88 -0.284 -2.263 8.820 1.00 0.93 C ATOM 1359 OH TYR A 88 1.032 -2.378 9.206 1.00 1.00 O ATOM 0 H TYR A 88 -4.948 -2.878 9.887 1.00 0.91 H new ATOM 0 HA TYR A 88 -5.079 -0.224 8.690 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -4.756 -2.926 7.354 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -4.423 -1.353 6.657 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -3.034 -0.421 9.437 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -2.504 -3.670 6.733 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -0.686 -0.626 10.136 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -0.163 -3.873 7.427 1.00 0.97 H new ATOM 0 HH TYR A 88 1.455 -3.110 8.711 1.00 1.00 H new ATOM 1369 N GLN A 89 -7.437 -2.476 8.538 1.00 1.08 N ATOM 1370 CA GLN A 89 -8.816 -2.758 8.149 1.00 1.18 C ATOM 1371 C GLN A 89 -9.769 -1.655 8.610 1.00 1.16 C ATOM 1372 O GLN A 89 -10.873 -1.521 8.087 1.00 1.26 O ATOM 1373 CB GLN A 89 -9.260 -4.101 8.734 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.274 -4.836 7.874 1.00 1.61 C ATOM 1375 CD GLN A 89 -10.774 -6.108 8.528 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -11.789 -6.107 9.222 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -10.069 -7.204 8.315 1.00 2.33 N ATOM 0 H GLN A 89 -7.036 -3.165 9.175 1.00 1.08 H new ATOM 0 HA GLN A 89 -8.851 -2.801 7.060 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -8.384 -4.735 8.870 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -9.688 -3.933 9.722 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -11.119 -4.178 7.672 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -9.822 -5.079 6.912 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -9.232 -7.167 7.733 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -10.362 -8.088 8.732 1.00 2.33 H new ATOM 1386 N ASP A 90 -9.335 -0.864 9.587 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.152 0.227 10.115 1.00 1.17 C ATOM 1388 C ASP A 90 -10.403 1.299 9.053 1.00 1.09 C ATOM 1389 O ASP A 90 -11.542 1.709 8.830 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.482 0.857 11.337 1.00 1.18 C ATOM 1391 CG ASP A 90 -10.305 1.987 11.929 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -11.473 1.751 12.301 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -9.784 3.116 12.040 1.00 2.03 O ATOM 0 H ASP A 90 -8.421 -0.957 10.030 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.112 -0.195 10.411 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -9.322 0.091 12.096 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -8.500 1.236 11.055 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.343 1.740 8.385 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.463 2.766 7.352 1.00 0.79 C ATOM 1400 C VAL A 91 -9.764 2.149 5.990 1.00 0.73 C ATOM 1401 O VAL A 91 -10.120 2.852 5.041 1.00 0.76 O ATOM 1402 CB VAL A 91 -8.191 3.634 7.253 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -8.186 4.694 8.342 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.936 2.773 7.338 1.00 0.78 C ATOM 0 H VAL A 91 -8.392 1.405 8.539 1.00 0.83 H new ATOM 0 HA VAL A 91 -10.296 3.405 7.646 1.00 0.79 H new ATOM 0 HB VAL A 91 -8.194 4.132 6.284 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -7.282 5.298 8.258 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -9.061 5.334 8.231 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -8.211 4.212 9.319 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -6.053 3.408 7.266 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -6.923 2.241 8.289 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -6.933 2.053 6.520 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.615 0.834 5.901 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.885 0.117 4.666 1.00 0.71 C ATOM 1416 C TYR A 92 -11.372 -0.212 4.577 1.00 0.80 C ATOM 1417 O TYR A 92 -11.846 -1.201 5.140 1.00 0.98 O ATOM 1418 CB TYR A 92 -9.033 -1.156 4.587 1.00 0.76 C ATOM 1419 CG TYR A 92 -9.470 -2.133 3.513 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.326 -1.835 2.162 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -10.033 -3.356 3.856 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.726 -2.732 1.188 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -10.436 -4.254 2.890 1.00 1.02 C ATOM 1424 CZ TYR A 92 -10.281 -3.939 1.558 1.00 1.02 C ATOM 1425 OH TYR A 92 -10.687 -4.834 0.595 1.00 1.14 O ATOM 0 H TYR A 92 -9.308 0.242 6.673 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.618 0.749 3.819 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.996 -0.874 4.405 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -9.062 -1.659 5.553 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.895 -0.889 1.869 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -10.157 -3.608 4.899 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.604 -2.488 0.143 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -10.871 -5.200 3.177 1.00 1.02 H new ATOM 0 HH TYR A 92 -10.556 -5.748 0.922 1.00 1.14 H new ATOM 1435 N LEU A 93 -12.108 0.651 3.898 1.00 0.74 N ATOM 1436 CA LEU A 93 -13.543 0.463 3.726 1.00 0.84 C ATOM 1437 C LEU A 93 -13.816 -0.566 2.638 1.00 1.05 C ATOM 1438 O LEU A 93 -14.825 -1.270 2.675 1.00 1.14 O ATOM 1439 CB LEU A 93 -14.235 1.789 3.377 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.992 2.309 1.956 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -15.061 3.312 1.568 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -12.614 2.939 1.839 1.00 1.42 C ATOM 0 H LEU A 93 -11.737 1.491 3.455 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.949 0.100 4.670 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -15.308 1.667 3.521 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -13.903 2.549 4.084 1.00 0.87 H new ATOM 0 HG LEU A 93 -14.042 1.462 1.272 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -14.873 3.671 0.556 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -16.040 2.834 1.607 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -15.040 4.153 2.261 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -12.464 3.301 0.822 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -12.535 3.773 2.536 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -11.853 2.195 2.075 1.00 1.42 H new ATOM 1454 N GLY A 94 -12.901 -0.655 1.677 1.00 1.78 N ATOM 1455 CA GLY A 94 -13.056 -1.593 0.587 1.00 2.31 C ATOM 1456 C GLY A 94 -14.224 -1.239 -0.303 1.00 3.01 C ATOM 1457 O GLY A 94 -14.192 -0.231 -1.011 1.00 3.64 O ATOM 0 H GLY A 94 -12.053 -0.090 1.637 1.00 1.78 H new ATOM 0 HA2 GLY A 94 -12.142 -1.614 -0.006 1.00 2.31 H new ATOM 0 HA3 GLY A 94 -13.198 -2.596 0.989 1.00 2.31 H new ATOM 1461 N LEU A 95 -15.259 -2.061 -0.259 1.00 3.25 N ATOM 1462 CA LEU A 95 -16.450 -1.835 -1.060 1.00 3.98 C ATOM 1463 C LEU A 95 -17.685 -1.815 -0.171 1.00 3.60 C ATOM 1464 O LEU A 95 -18.001 -2.800 0.500 1.00 3.99 O ATOM 1465 CB LEU A 95 -16.591 -2.916 -2.135 1.00 4.97 C ATOM 1466 CG LEU A 95 -16.605 -2.404 -3.579 1.00 5.52 C ATOM 1467 CD1 LEU A 95 -15.276 -1.754 -3.936 1.00 5.76 C ATOM 1468 CD2 LEU A 95 -16.915 -3.539 -4.542 1.00 6.50 C ATOM 0 H LEU A 95 -15.298 -2.895 0.326 1.00 3.25 H new ATOM 0 HA LEU A 95 -16.354 -0.868 -1.554 1.00 3.98 H new ATOM 0 HB2 LEU A 95 -15.769 -3.624 -2.026 1.00 4.97 H new ATOM 0 HB3 LEU A 95 -17.513 -3.468 -1.953 1.00 4.97 H new ATOM 0 HG LEU A 95 -17.388 -1.650 -3.665 1.00 5.52 H new ATOM 0 HD11 LEU A 95 -15.310 -1.398 -4.966 1.00 5.76 H new ATOM 0 HD12 LEU A 95 -15.091 -0.913 -3.268 1.00 5.76 H new ATOM 0 HD13 LEU A 95 -14.474 -2.484 -3.831 1.00 5.76 H new ATOM 0 HD21 LEU A 95 -16.921 -3.158 -5.563 1.00 6.50 H new ATOM 0 HD22 LEU A 95 -16.154 -4.314 -4.448 1.00 6.50 H new ATOM 0 HD23 LEU A 95 -17.892 -3.960 -4.306 1.00 6.50 H new ATOM 1480 N GLU A 96 -18.377 -0.684 -0.170 1.00 3.30 N ATOM 1481 CA GLU A 96 -19.581 -0.514 0.636 1.00 3.30 C ATOM 1482 C GLU A 96 -20.727 -1.353 0.082 1.00 3.83 C ATOM 1483 O GLU A 96 -21.668 -1.694 0.797 1.00 4.33 O ATOM 1484 CB GLU A 96 -19.990 0.957 0.661 1.00 3.38 C ATOM 1485 CG GLU A 96 -18.870 1.896 1.070 1.00 3.76 C ATOM 1486 CD GLU A 96 -19.124 3.321 0.632 1.00 4.68 C ATOM 1487 OE1 GLU A 96 -18.909 3.628 -0.559 1.00 5.06 O ATOM 1488 OE2 GLU A 96 -19.540 4.144 1.475 1.00 5.15 O ATOM 0 H GLU A 96 -18.124 0.136 -0.722 1.00 3.30 H new ATOM 0 HA GLU A 96 -19.362 -0.848 1.650 1.00 3.30 H new ATOM 0 HB2 GLU A 96 -20.348 1.242 -0.328 1.00 3.38 H new ATOM 0 HB3 GLU A 96 -20.825 1.081 1.350 1.00 3.38 H new ATOM 0 HG2 GLU A 96 -18.753 1.867 2.153 1.00 3.76 H new ATOM 0 HG3 GLU A 96 -17.932 1.548 0.638 1.00 3.76 H new ATOM 1495 N HIS A 97 -20.643 -1.676 -1.196 1.00 4.10 N ATOM 1496 CA HIS A 97 -21.660 -2.474 -1.852 1.00 4.81 C ATOM 1497 C HIS A 97 -21.003 -3.462 -2.807 1.00 4.91 C ATOM 1498 O HIS A 97 -20.026 -3.126 -3.475 1.00 5.78 O ATOM 1499 CB HIS A 97 -22.643 -1.561 -2.602 1.00 5.50 C ATOM 1500 CG HIS A 97 -23.667 -2.290 -3.421 1.00 5.36 C ATOM 1501 ND1 HIS A 97 -23.538 -2.483 -4.780 1.00 5.86 N ATOM 1502 CD2 HIS A 97 -24.835 -2.877 -3.068 1.00 5.14 C ATOM 1503 CE1 HIS A 97 -24.581 -3.160 -5.228 1.00 5.88 C ATOM 1504 NE2 HIS A 97 -25.381 -3.412 -4.209 1.00 5.53 N ATOM 0 H HIS A 97 -19.874 -1.395 -1.804 1.00 4.10 H new ATOM 0 HA HIS A 97 -22.218 -3.035 -1.102 1.00 4.81 H new ATOM 0 HB2 HIS A 97 -23.158 -0.930 -1.878 1.00 5.50 H new ATOM 0 HB3 HIS A 97 -22.077 -0.899 -3.257 1.00 5.50 H new ATOM 0 HD2 HIS A 97 -25.258 -2.917 -2.075 1.00 5.14 H new ATOM 0 HE1 HIS A 97 -24.750 -3.456 -6.253 1.00 5.88 H new ATOM 0 HE2 HIS A 97 -26.263 -3.922 -4.261 1.00 5.53 H new ATOM 1513 N HIS A 98 -21.533 -4.678 -2.854 1.00 4.24 N ATOM 1514 CA HIS A 98 -21.011 -5.715 -3.733 1.00 4.57 C ATOM 1515 C HIS A 98 -21.180 -5.291 -5.191 1.00 5.57 C ATOM 1516 O HIS A 98 -22.282 -5.331 -5.739 1.00 6.29 O ATOM 1517 CB HIS A 98 -21.737 -7.036 -3.464 1.00 4.01 C ATOM 1518 CG HIS A 98 -21.141 -8.215 -4.165 1.00 4.25 C ATOM 1519 ND1 HIS A 98 -21.812 -8.929 -5.133 1.00 4.75 N ATOM 1520 CD2 HIS A 98 -19.936 -8.818 -4.023 1.00 4.43 C ATOM 1521 CE1 HIS A 98 -21.049 -9.921 -5.553 1.00 5.20 C ATOM 1522 NE2 HIS A 98 -19.905 -9.874 -4.899 1.00 5.02 N ATOM 0 H HIS A 98 -22.330 -4.971 -2.289 1.00 4.24 H new ATOM 0 HA HIS A 98 -19.949 -5.858 -3.536 1.00 4.57 H new ATOM 0 HB2 HIS A 98 -21.736 -7.227 -2.391 1.00 4.01 H new ATOM 0 HB3 HIS A 98 -22.779 -6.934 -3.769 1.00 4.01 H new ATOM 0 HD2 HIS A 98 -19.147 -8.523 -3.347 1.00 4.43 H new ATOM 0 HE1 HIS A 98 -21.317 -10.648 -6.305 1.00 5.20 H new ATOM 0 HE2 HIS A 98 -19.124 -10.518 -5.024 1.00 5.02 H new ATOM 1531 N HIS A 99 -20.085 -4.864 -5.798 1.00 5.88 N ATOM 1532 CA HIS A 99 -20.093 -4.401 -7.178 1.00 7.00 C ATOM 1533 C HIS A 99 -19.720 -5.519 -8.144 1.00 7.19 C ATOM 1534 O HIS A 99 -18.828 -6.322 -7.865 1.00 6.84 O ATOM 1535 CB HIS A 99 -19.114 -3.232 -7.326 1.00 7.91 C ATOM 1536 CG HIS A 99 -19.375 -2.352 -8.508 1.00 8.85 C ATOM 1537 ND1 HIS A 99 -20.076 -1.170 -8.425 1.00 9.53 N ATOM 1538 CD2 HIS A 99 -19.013 -2.481 -9.804 1.00 9.38 C ATOM 1539 CE1 HIS A 99 -20.135 -0.611 -9.617 1.00 10.40 C ATOM 1540 NE2 HIS A 99 -19.498 -1.386 -10.471 1.00 10.32 N ATOM 0 H HIS A 99 -19.169 -4.828 -5.351 1.00 5.88 H new ATOM 0 HA HIS A 99 -21.103 -4.073 -7.425 1.00 7.00 H new ATOM 0 HB2 HIS A 99 -19.152 -2.625 -6.421 1.00 7.91 H new ATOM 0 HB3 HIS A 99 -18.102 -3.629 -7.401 1.00 7.91 H new ATOM 0 HD2 HIS A 99 -18.447 -3.295 -10.234 1.00 9.38 H new ATOM 0 HE1 HIS A 99 -20.622 0.323 -9.853 1.00 10.40 H new ATOM 0 HE2 HIS A 99 -19.384 -1.201 -11.468 1.00 10.32 H new ATOM 1549 N HIS A 100 -20.422 -5.575 -9.268 1.00 7.91 N ATOM 1550 CA HIS A 100 -20.154 -6.573 -10.292 1.00 8.32 C ATOM 1551 C HIS A 100 -19.146 -6.005 -11.279 1.00 8.49 C ATOM 1552 O HIS A 100 -19.398 -4.972 -11.904 1.00 8.85 O ATOM 1553 CB HIS A 100 -21.450 -6.972 -11.013 1.00 8.84 C ATOM 1554 CG HIS A 100 -21.272 -8.033 -12.062 1.00 9.39 C ATOM 1555 ND1 HIS A 100 -21.184 -9.375 -11.770 1.00 9.84 N ATOM 1556 CD2 HIS A 100 -21.159 -7.940 -13.408 1.00 9.72 C ATOM 1557 CE1 HIS A 100 -21.023 -10.060 -12.888 1.00 10.37 C ATOM 1558 NE2 HIS A 100 -21.002 -9.213 -13.899 1.00 10.32 N ATOM 0 H HIS A 100 -21.185 -4.937 -9.493 1.00 7.91 H new ATOM 0 HA HIS A 100 -19.744 -7.470 -9.827 1.00 8.32 H new ATOM 0 HB2 HIS A 100 -22.169 -7.325 -10.274 1.00 8.84 H new ATOM 0 HB3 HIS A 100 -21.881 -6.086 -11.479 1.00 8.84 H new ATOM 0 HD2 HIS A 100 -21.187 -7.030 -13.990 1.00 9.72 H new ATOM 0 HE1 HIS A 100 -20.925 -11.133 -12.962 1.00 10.37 H new ATOM 0 HE2 HIS A 100 -20.888 -9.462 -14.882 1.00 10.32 H new ATOM 1567 N HIS A 101 -18.004 -6.666 -11.401 1.00 8.41 N ATOM 1568 CA HIS A 101 -16.952 -6.214 -12.306 1.00 8.73 C ATOM 1569 C HIS A 101 -17.462 -6.151 -13.742 1.00 9.24 C ATOM 1570 O HIS A 101 -18.377 -6.882 -14.114 1.00 9.03 O ATOM 1571 CB HIS A 101 -15.714 -7.125 -12.209 1.00 8.88 C ATOM 1572 CG HIS A 101 -15.785 -8.402 -13.008 1.00 9.00 C ATOM 1573 ND1 HIS A 101 -16.258 -9.589 -12.493 1.00 8.78 N ATOM 1574 CD2 HIS A 101 -15.419 -8.674 -14.287 1.00 9.44 C ATOM 1575 CE1 HIS A 101 -16.182 -10.530 -13.414 1.00 9.10 C ATOM 1576 NE2 HIS A 101 -15.677 -10.002 -14.510 1.00 9.49 N ATOM 0 H HIS A 101 -17.780 -7.517 -10.886 1.00 8.41 H new ATOM 0 HA HIS A 101 -16.658 -5.209 -12.004 1.00 8.73 H new ATOM 0 HB2 HIS A 101 -14.842 -6.560 -12.537 1.00 8.88 H new ATOM 0 HB3 HIS A 101 -15.553 -7.380 -11.162 1.00 8.88 H new ATOM 0 HD2 HIS A 101 -15.002 -7.975 -14.997 1.00 9.44 H new ATOM 0 HE1 HIS A 101 -16.483 -11.560 -13.290 1.00 9.10 H new ATOM 0 HE2 HIS A 101 -15.506 -10.500 -15.383 1.00 9.49 H new ATOM 1585 N HIS A 102 -16.873 -5.277 -14.539 1.00 10.03 N ATOM 1586 CA HIS A 102 -17.277 -5.133 -15.929 1.00 10.75 C ATOM 1587 C HIS A 102 -16.689 -6.257 -16.763 1.00 11.48 C ATOM 1588 O HIS A 102 -17.392 -7.265 -16.980 1.00 11.72 O ATOM 1589 CB HIS A 102 -16.844 -3.777 -16.488 1.00 11.25 C ATOM 1590 CG HIS A 102 -17.594 -2.625 -15.901 1.00 11.59 C ATOM 1591 ND1 HIS A 102 -18.785 -2.162 -16.412 1.00 12.36 N ATOM 1592 CD2 HIS A 102 -17.312 -1.838 -14.838 1.00 11.44 C ATOM 1593 CE1 HIS A 102 -19.203 -1.141 -15.689 1.00 12.66 C ATOM 1594 NE2 HIS A 102 -18.327 -0.924 -14.723 1.00 12.14 N ATOM 1595 OXT HIS A 102 -15.513 -6.143 -17.168 1.00 11.93 O ATOM 0 H HIS A 102 -16.116 -4.658 -14.250 1.00 10.03 H new ATOM 0 HA HIS A 102 -18.365 -5.187 -15.976 1.00 10.75 H new ATOM 0 HB2 HIS A 102 -15.779 -3.640 -16.303 1.00 11.25 H new ATOM 0 HB3 HIS A 102 -16.982 -3.777 -17.569 1.00 11.25 H new ATOM 0 HD2 HIS A 102 -16.446 -1.915 -14.197 1.00 11.44 H new ATOM 0 HE1 HIS A 102 -20.109 -0.577 -15.858 1.00 12.66 H new ATOM 0 HE2 HIS A 102 -18.395 -0.197 -14.011 1.00 12.14 H new TER 1604 HIS A 102 HETATM 1605 N1A ACO A 103 -0.520 -13.392 -1.190 1.00 1.26 N HETATM 1606 C2A ACO A 103 -0.828 -12.131 -0.690 1.00 1.17 C HETATM 1607 N3A ACO A 103 -0.225 -11.713 0.495 1.00 1.07 N HETATM 1608 C4A ACO A 103 0.640 -12.533 1.123 1.00 1.07 C HETATM 1609 C5A ACO A 103 0.919 -13.743 0.622 1.00 1.24 C HETATM 1610 C6A ACO A 103 0.351 -14.160 -0.516 1.00 1.33 C HETATM 1611 N6A ACO A 103 0.685 -15.374 -0.949 1.00 1.58 N HETATM 1612 N7A ACO A 103 1.792 -14.330 1.440 1.00 1.38 N HETATM 1613 C8A ACO A 103 2.047 -13.493 2.441 1.00 1.26 C HETATM 1614 N9A ACO A 103 1.337 -12.386 2.241 1.00 1.07 N HETATM 1615 C1B ACO A 103 1.327 -11.192 3.119 1.00 1.03 C HETATM 1616 C2B ACO A 103 1.330 -11.559 4.599 1.00 1.11 C HETATM 1617 O2B ACO A 103 0.055 -11.247 5.188 1.00 1.48 O HETATM 1618 C3B ACO A 103 2.410 -10.689 5.204 1.00 1.01 C HETATM 1619 O3B ACO A 103 1.920 -10.025 6.382 1.00 1.23 O HETATM 1620 P3B ACO A 103 1.770 -10.842 7.765 1.00 1.16 P HETATM 1621 O7A ACO A 103 0.974 -9.854 8.760 1.00 1.71 O HETATM 1622 O8A ACO A 103 3.242 -11.027 8.378 1.00 1.81 O HETATM 1623 O9A ACO A 103 1.066 -12.129 7.591 1.00 2.04 O HETATM 1624 C4B ACO A 103 2.697 -9.684 4.113 1.00 1.04 C HETATM 1625 O4B ACO A 103 2.528 -10.423 2.902 1.00 1.04 O HETATM 1626 C5B ACO A 103 4.112 -9.135 4.232 1.00 1.18 C HETATM 1627 O5B ACO A 103 5.059 -10.208 4.282 1.00 1.28 O HETATM 1628 P1A ACO A 103 5.389 -11.086 2.970 1.00 1.52 P HETATM 1629 O1A ACO A 103 6.796 -11.537 3.013 1.00 2.30 O HETATM 1630 O2A ACO A 103 4.350 -12.133 2.797 1.00 2.20 O HETATM 1631 O3A ACO A 103 5.205 -10.042 1.759 1.00 1.44 O HETATM 1632 P2A ACO A 103 6.397 -9.036 1.349 1.00 1.59 P HETATM 1633 O4A ACO A 103 7.715 -9.705 1.497 1.00 2.35 O HETATM 1634 O5A ACO A 103 6.215 -7.741 2.041 1.00 2.24 O HETATM 1635 O6A ACO A 103 6.161 -8.803 -0.230 1.00 1.29 O HETATM 1636 CBP ACO A 103 5.266 -9.305 -2.440 1.00 0.94 C HETATM 1637 CCP ACO A 103 5.644 -9.855 -1.054 1.00 1.05 C HETATM 1638 CDP ACO A 103 4.190 -10.200 -3.070 1.00 1.01 C HETATM 1639 CEP ACO A 103 4.718 -7.876 -2.299 1.00 0.88 C HETATM 1640 CAP ACO A 103 6.513 -9.289 -3.338 1.00 0.97 C HETATM 1641 OAP ACO A 103 6.848 -10.624 -3.723 1.00 1.11 O HETATM 1642 C9P ACO A 103 6.240 -8.448 -4.589 1.00 0.94 C HETATM 1643 O9P ACO A 103 6.668 -7.300 -4.685 1.00 0.99 O HETATM 1644 N8P ACO A 103 5.511 -9.052 -5.536 1.00 1.53 N HETATM 1645 C7P ACO A 103 4.806 -8.287 -6.574 1.00 1.93 C HETATM 1646 C6P ACO A 103 3.393 -7.940 -6.091 1.00 2.42 C HETATM 1647 C5P ACO A 103 2.834 -6.758 -6.891 1.00 2.41 C HETATM 1648 O5P ACO A 103 1.637 -6.460 -6.834 1.00 3.30 O HETATM 1649 N4P ACO A 103 3.736 -6.090 -7.624 1.00 1.79 N HETATM 1650 C3P ACO A 103 3.844 -6.253 -9.083 1.00 2.18 C HETATM 1651 C2P ACO A 103 3.015 -5.176 -9.785 1.00 2.07 C HETATM 1652 S1P ACO A 103 4.053 -3.751 -10.278 1.00 2.13 S HETATM 1653 C ACO A 103 4.606 -3.201 -8.679 1.00 1.95 C HETATM 1654 O ACO A 103 3.735 -3.310 -7.550 1.00 1.49 O HETATM 1655 CH3 ACO A 103 6.004 -2.596 -8.512 1.00 3.07 C HETATM 0 HO2A ACO A 103 0.104 -10.374 5.630 1.00 1.48 H new HETATM 0 HH33 ACO A 103 6.755 -3.328 -8.810 1.00 3.07 H new HETATM 0 HH32 ACO A 103 6.093 -1.708 -9.138 1.00 3.07 H new HETATM 0 HH31 ACO A 103 6.159 -2.321 -7.469 1.00 3.07 H new HETATM 0 H62A ACO A 103 1.349 -15.939 -0.420 1.00 1.58 H new HETATM 0 H61A ACO A 103 0.277 -15.739 -1.810 1.00 1.58 H new HETATM 0 H52A ACO A 103 4.331 -8.487 3.383 1.00 1.18 H new HETATM 0 H51A ACO A 103 4.198 -8.523 5.130 1.00 1.18 H new HETATM 0 H143 ACO A 103 3.834 -7.887 -1.662 1.00 0.88 H new HETATM 0 H142 ACO A 103 5.480 -7.237 -1.852 1.00 0.88 H new HETATM 0 H141 ACO A 103 4.451 -7.490 -3.283 1.00 0.88 H new HETATM 0 H133 ACO A 103 4.576 -11.214 -3.175 1.00 1.01 H new HETATM 0 H132 ACO A 103 3.307 -10.212 -2.431 1.00 1.01 H new HETATM 0 H131 ACO A 103 3.922 -9.810 -4.052 1.00 1.01 H new HETATM 0 H122 ACO A 103 6.388 -10.645 -1.158 1.00 1.05 H new HETATM 0 H121 ACO A 103 4.770 -10.302 -0.581 1.00 1.05 H new HETATM 0 HO1 ACO A 103 7.642 -10.609 -4.297 1.00 1.11 H new HETATM 0 HN8 ACO A 103 5.443 -10.070 -5.537 1.00 1.53 H new HETATM 0 HN4 ACO A 103 4.371 -5.445 -7.153 1.00 1.79 H new HETATM 0 H8A ACO A 103 2.719 -13.681 3.278 1.00 1.26 H new HETATM 0 H72 ACO A 103 5.356 -7.375 -6.804 1.00 1.93 H new HETATM 0 H71 ACO A 103 4.753 -8.868 -7.495 1.00 1.93 H new HETATM 0 H62 ACO A 103 2.740 -8.805 -6.203 1.00 2.42 H new HETATM 0 H61 ACO A 103 3.414 -7.692 -5.030 1.00 2.42 H new HETATM 0 H4B ACO A 103 2.040 -8.815 4.163 1.00 1.04 H new HETATM 0 H3B ACO A 103 3.291 -11.251 5.513 1.00 1.01 H new HETATM 0 H32 ACO A 103 4.887 -6.181 -9.390 1.00 2.18 H new HETATM 0 H31 ACO A 103 3.494 -7.243 -9.375 1.00 2.18 H new HETATM 0 H2B ACO A 103 1.509 -12.621 4.765 1.00 1.11 H new HETATM 0 H2A ACO A 103 -1.528 -11.482 -1.215 1.00 1.17 H new HETATM 0 H22 ACO A 103 2.535 -5.601 -10.667 1.00 2.07 H new HETATM 0 H21 ACO A 103 2.220 -4.837 -9.121 1.00 2.07 H new HETATM 0 H1B ACO A 103 0.420 -10.639 2.874 1.00 1.03 H new HETATM 0 H10 ACO A 103 7.345 -8.853 -2.785 1.00 0.97 H new