USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 996 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 304 THR OG1 : rot 180:sc= 0.392 USER MOD Set 1.2: B 308 HIS : no HE2:sc= 0.227 K(o=0.62,f=-2.4) USER MOD Set 2.1: A 71 GLN : amide:sc= 0.441 K(o=1.7,f=1.2) USER MOD Set 2.2: A 76 TYR OH : rot 150:sc= 1.25 USER MOD Set 3.1: A 15 THR OG1 : rot -92:sc= 0.0713 USER MOD Set 3.2: A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.41) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.004 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl -164:sc= -0.0759 (180deg=-0.411) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= 0.969 (180deg=0.589) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= 1.31 (180deg=1.05) USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= 1.28 (180deg=1.1) USER MOD Single : A 40 SER OG : rot 106:sc= 1.26 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.18) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.89 USER MOD Single : A 49 THR OG1 : rot -72:sc= 0.988 USER MOD Single : A 50 MET CE :methyl -162:sc= -0.772 (180deg=-1.11) USER MOD Single : A 51 LYS NZ :NH3+ 136:sc= 1.2 (180deg=0.144) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.0259 K(o=0.026,f=-0.49) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= -0.287 (180deg=-0.287) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0.925 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.94 K(o=0.94,f=-5.9!) USER MOD Single : A 73 HIS : no HD1:sc=-0.00395 X(o=-0.004,f=0) USER MOD Single : A 77 CYS SG : rot -93:sc= -4.63! USER MOD Single : A 78 SER OG : rot -65:sc= 1.2 USER MOD Single : A 79 ASN : amide:sc= -0.0583 X(o=-0.058,f=-0.058) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.0031) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 43:sc= 0.391 USER MOD Single : A 101 THR OG1 : rot -80:sc= -0.028 USER MOD Single : A 102 MET CE :methyl 163:sc= -1.27 (180deg=-1.98) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.64! X(o=-2.6!,f=-3) USER MOD Single : B 305 THR OG1 : rot 180:sc= 0 USER MOD Single : B 311 SER OG : rot 104:sc= 1.29 USER MOD Single : B 312 SER OG : rot 68:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 16.873 -10.617 -23.702 1.00 1.00 N ATOM 2 CA ASN A 3 17.559 -10.293 -24.940 1.00 64.21 C ATOM 3 C ASN A 3 17.031 -8.988 -25.515 1.00 1.42 C ATOM 4 O ASN A 3 17.713 -7.991 -25.505 1.00 73.22 O ATOM 5 CB ASN A 3 17.405 -11.419 -25.974 1.00 71.21 C ATOM 6 CG ASN A 3 18.130 -11.139 -27.284 1.00 24.41 C ATOM 7 OD1 ASN A 3 19.164 -10.478 -27.315 1.00 11.41 O ATOM 8 ND2 ASN A 3 17.610 -11.657 -28.365 1.00 41.45 N ATOM 0 HA ASN A 3 18.619 -10.180 -24.711 1.00 64.21 H new ATOM 0 HB2 ASN A 3 17.785 -12.348 -25.548 1.00 71.21 H new ATOM 0 HB3 ASN A 3 16.345 -11.572 -26.179 1.00 71.21 H new ATOM 0 HD21 ASN A 3 18.065 -11.517 -29.267 1.00 41.45 H new ATOM 0 HD22 ASN A 3 16.750 -12.202 -28.307 1.00 41.45 H new ATOM 17 N THR A 4 15.809 -8.983 -25.981 1.00 21.23 N ATOM 18 CA THR A 4 15.276 -7.823 -26.635 1.00 20.42 C ATOM 19 C THR A 4 14.182 -7.112 -25.821 1.00 62.42 C ATOM 20 O THR A 4 13.659 -6.081 -26.252 1.00 2.41 O ATOM 21 CB THR A 4 14.738 -8.228 -28.021 1.00 43.05 C ATOM 22 OG1 THR A 4 13.930 -9.418 -27.896 1.00 52.05 O ATOM 23 CG2 THR A 4 15.872 -8.480 -29.006 1.00 0.45 C ATOM 0 H THR A 4 15.166 -9.772 -25.918 1.00 21.23 H new ATOM 0 HA THR A 4 16.089 -7.104 -26.736 1.00 20.42 H new ATOM 0 HB THR A 4 14.134 -7.406 -28.405 1.00 43.05 H new ATOM 0 HG1 THR A 4 13.587 -9.674 -28.777 1.00 52.05 H new ATOM 0 HG21 THR A 4 15.457 -8.764 -29.973 1.00 0.45 H new ATOM 0 HG22 THR A 4 16.465 -7.573 -29.118 1.00 0.45 H new ATOM 0 HG23 THR A 4 16.506 -9.284 -28.633 1.00 0.45 H new ATOM 31 N ASN A 5 13.849 -7.628 -24.650 1.00 20.55 N ATOM 32 CA ASN A 5 12.758 -7.037 -23.879 1.00 31.42 C ATOM 33 C ASN A 5 13.242 -6.085 -22.799 1.00 64.24 C ATOM 34 O ASN A 5 13.594 -4.942 -23.096 1.00 43.23 O ATOM 35 CB ASN A 5 11.788 -8.086 -23.319 1.00 31.43 C ATOM 36 CG ASN A 5 11.022 -8.819 -24.394 1.00 2.30 C ATOM 37 OD1 ASN A 5 11.472 -9.853 -24.904 1.00 54.43 O ATOM 38 ND2 ASN A 5 9.869 -8.308 -24.749 1.00 40.12 N ATOM 0 H ASN A 5 14.302 -8.433 -24.217 1.00 20.55 H new ATOM 0 HA ASN A 5 12.194 -6.436 -24.593 1.00 31.42 H new ATOM 0 HB2 ASN A 5 12.347 -8.808 -22.724 1.00 31.43 H new ATOM 0 HB3 ASN A 5 11.082 -7.597 -22.647 1.00 31.43 H new ATOM 0 HD21 ASN A 5 9.309 -8.764 -25.469 1.00 40.12 H new ATOM 0 HD22 ASN A 5 9.531 -7.454 -24.305 1.00 40.12 H new ATOM 45 N MET A 6 13.318 -6.549 -21.558 1.00 50.32 N ATOM 46 CA MET A 6 13.730 -5.669 -20.466 1.00 55.35 C ATOM 47 C MET A 6 15.214 -5.774 -20.258 1.00 55.10 C ATOM 48 O MET A 6 15.921 -4.766 -20.205 1.00 33.22 O ATOM 49 CB MET A 6 12.984 -5.967 -19.154 1.00 43.32 C ATOM 50 CG MET A 6 11.473 -5.776 -19.218 1.00 31.30 C ATOM 51 SD MET A 6 10.979 -4.077 -19.621 1.00 50.44 S ATOM 52 CE MET A 6 11.672 -3.164 -18.234 1.00 54.43 C ATOM 0 H MET A 6 13.105 -7.508 -21.283 1.00 50.32 H new ATOM 0 HA MET A 6 13.470 -4.650 -20.753 1.00 55.35 H new ATOM 0 HB2 MET A 6 13.194 -6.995 -18.859 1.00 43.32 H new ATOM 0 HB3 MET A 6 13.384 -5.323 -18.371 1.00 43.32 H new ATOM 0 HG2 MET A 6 11.060 -6.454 -19.965 1.00 31.30 H new ATOM 0 HG3 MET A 6 11.038 -6.055 -18.259 1.00 31.30 H new ATOM 0 HE1 MET A 6 11.219 -2.174 -18.188 1.00 54.43 H new ATOM 0 HE2 MET A 6 11.468 -3.700 -17.307 1.00 54.43 H new ATOM 0 HE3 MET A 6 12.749 -3.065 -18.366 1.00 54.43 H new ATOM 62 N SER A 7 15.685 -6.984 -20.141 1.00 73.11 N ATOM 63 CA SER A 7 17.082 -7.226 -19.987 1.00 53.24 C ATOM 64 C SER A 7 17.699 -7.418 -21.369 1.00 5.33 C ATOM 65 O SER A 7 17.418 -8.407 -22.068 1.00 12.05 O ATOM 66 CB SER A 7 17.284 -8.453 -19.114 1.00 51.30 C ATOM 67 OG SER A 7 16.509 -8.343 -17.923 1.00 14.32 O ATOM 0 H SER A 7 15.108 -7.825 -20.150 1.00 73.11 H new ATOM 0 HA SER A 7 17.571 -6.382 -19.501 1.00 53.24 H new ATOM 0 HB2 SER A 7 16.996 -9.350 -19.662 1.00 51.30 H new ATOM 0 HB3 SER A 7 18.339 -8.559 -18.861 1.00 51.30 H new ATOM 0 HG SER A 7 16.646 -9.140 -17.369 1.00 14.32 H new ATOM 73 N VAL A 8 18.461 -6.449 -21.784 1.00 21.31 N ATOM 74 CA VAL A 8 19.103 -6.475 -23.070 1.00 5.42 C ATOM 75 C VAL A 8 20.608 -6.700 -22.882 1.00 40.44 C ATOM 76 O VAL A 8 21.146 -6.390 -21.806 1.00 42.14 O ATOM 77 CB VAL A 8 18.826 -5.156 -23.858 1.00 10.22 C ATOM 78 CG1 VAL A 8 17.334 -5.005 -24.141 1.00 74.14 C ATOM 79 CG2 VAL A 8 19.328 -3.944 -23.091 1.00 45.33 C ATOM 0 H VAL A 8 18.657 -5.611 -21.237 1.00 21.31 H new ATOM 0 HA VAL A 8 18.693 -7.296 -23.658 1.00 5.42 H new ATOM 0 HB VAL A 8 19.365 -5.215 -24.803 1.00 10.22 H new ATOM 0 HG11 VAL A 8 17.160 -4.080 -24.691 1.00 74.14 H new ATOM 0 HG12 VAL A 8 16.989 -5.851 -24.735 1.00 74.14 H new ATOM 0 HG13 VAL A 8 16.786 -4.976 -23.199 1.00 74.14 H new ATOM 0 HG21 VAL A 8 19.122 -3.040 -23.664 1.00 45.33 H new ATOM 0 HG22 VAL A 8 18.821 -3.887 -22.128 1.00 45.33 H new ATOM 0 HG23 VAL A 8 20.402 -4.034 -22.930 1.00 45.33 H new ATOM 89 N PRO A 9 21.301 -7.271 -23.891 1.00 74.40 N ATOM 90 CA PRO A 9 22.736 -7.550 -23.802 1.00 52.31 C ATOM 91 C PRO A 9 23.548 -6.273 -23.647 1.00 2.24 C ATOM 92 O PRO A 9 24.501 -6.213 -22.862 1.00 32.11 O ATOM 93 CB PRO A 9 23.075 -8.252 -25.123 1.00 13.22 C ATOM 94 CG PRO A 9 21.921 -7.991 -26.034 1.00 22.03 C ATOM 95 CD PRO A 9 20.729 -7.717 -25.168 1.00 41.32 C ATOM 0 HA PRO A 9 22.975 -8.159 -22.930 1.00 52.31 H new ATOM 0 HB2 PRO A 9 24.002 -7.863 -25.545 1.00 13.22 H new ATOM 0 HB3 PRO A 9 23.218 -9.322 -24.971 1.00 13.22 H new ATOM 0 HG2 PRO A 9 22.128 -7.141 -26.684 1.00 22.03 H new ATOM 0 HG3 PRO A 9 21.738 -8.850 -26.680 1.00 22.03 H new ATOM 0 HD2 PRO A 9 20.088 -6.952 -25.605 1.00 41.32 H new ATOM 0 HD3 PRO A 9 20.117 -8.610 -25.039 1.00 41.32 H new ATOM 103 N THR A 10 23.160 -5.262 -24.364 1.00 55.24 N ATOM 104 CA THR A 10 23.798 -3.997 -24.285 1.00 33.05 C ATOM 105 C THR A 10 22.729 -2.927 -24.283 1.00 33.12 C ATOM 106 O THR A 10 22.035 -2.733 -25.281 1.00 40.24 O ATOM 107 CB THR A 10 24.754 -3.783 -25.472 1.00 53.43 C ATOM 108 OG1 THR A 10 25.641 -4.920 -25.586 1.00 13.43 O ATOM 109 CG2 THR A 10 25.583 -2.526 -25.264 1.00 1.43 C ATOM 0 H THR A 10 22.384 -5.299 -25.024 1.00 55.24 H new ATOM 0 HA THR A 10 24.390 -3.947 -23.371 1.00 33.05 H new ATOM 0 HB THR A 10 24.164 -3.675 -26.382 1.00 53.43 H new ATOM 0 HG1 THR A 10 26.249 -4.786 -26.342 1.00 13.43 H new ATOM 0 HG21 THR A 10 26.254 -2.388 -26.112 1.00 1.43 H new ATOM 0 HG22 THR A 10 24.922 -1.664 -25.181 1.00 1.43 H new ATOM 0 HG23 THR A 10 26.169 -2.623 -24.350 1.00 1.43 H new ATOM 117 N ASP A 11 22.571 -2.280 -23.151 1.00 22.24 N ATOM 118 CA ASP A 11 21.577 -1.215 -22.985 1.00 52.52 C ATOM 119 C ASP A 11 22.002 0.013 -23.751 1.00 21.43 C ATOM 120 O ASP A 11 21.177 0.772 -24.274 1.00 1.43 O ATOM 121 CB ASP A 11 21.416 -0.875 -21.503 1.00 60.33 C ATOM 122 CG ASP A 11 20.473 0.282 -21.254 1.00 32.54 C ATOM 123 OD1 ASP A 11 19.238 0.063 -21.183 1.00 11.52 O ATOM 124 OD2 ASP A 11 20.944 1.423 -21.094 1.00 72.40 O ATOM 0 H ASP A 11 23.122 -2.468 -22.313 1.00 22.24 H new ATOM 0 HA ASP A 11 20.620 -1.562 -23.375 1.00 52.52 H new ATOM 0 HB2 ASP A 11 21.049 -1.754 -20.973 1.00 60.33 H new ATOM 0 HB3 ASP A 11 22.393 -0.635 -21.084 1.00 60.33 H new ATOM 129 N GLY A 12 23.291 0.204 -23.812 1.00 24.21 N ATOM 130 CA GLY A 12 23.830 1.319 -24.522 1.00 13.41 C ATOM 131 C GLY A 12 24.432 2.301 -23.583 1.00 44.33 C ATOM 132 O GLY A 12 25.509 2.846 -23.844 1.00 44.55 O ATOM 0 H GLY A 12 23.985 -0.403 -23.376 1.00 24.21 H new ATOM 0 HA2 GLY A 12 24.585 0.975 -25.229 1.00 13.41 H new ATOM 0 HA3 GLY A 12 23.044 1.800 -25.104 1.00 13.41 H new ATOM 136 N ALA A 13 23.763 2.508 -22.481 1.00 25.35 N ATOM 137 CA ALA A 13 24.211 3.421 -21.475 1.00 53.32 C ATOM 138 C ALA A 13 24.606 2.646 -20.250 1.00 12.11 C ATOM 139 O ALA A 13 23.805 1.882 -19.697 1.00 52.51 O ATOM 140 CB ALA A 13 23.112 4.405 -21.138 1.00 34.21 C ATOM 0 H ALA A 13 22.884 2.041 -22.258 1.00 25.35 H new ATOM 0 HA ALA A 13 25.071 3.979 -21.846 1.00 53.32 H new ATOM 0 HB1 ALA A 13 23.464 5.095 -20.371 1.00 34.21 H new ATOM 0 HB2 ALA A 13 22.838 4.965 -22.032 1.00 34.21 H new ATOM 0 HB3 ALA A 13 22.241 3.865 -20.767 1.00 34.21 H new ATOM 146 N VAL A 14 25.830 2.780 -19.845 1.00 54.25 N ATOM 147 CA VAL A 14 26.270 2.108 -18.664 1.00 44.45 C ATOM 148 C VAL A 14 26.183 3.014 -17.447 1.00 64.41 C ATOM 149 O VAL A 14 26.822 4.068 -17.375 1.00 53.45 O ATOM 150 CB VAL A 14 27.691 1.471 -18.797 1.00 44.03 C ATOM 151 CG1 VAL A 14 27.696 0.394 -19.873 1.00 13.21 C ATOM 152 CG2 VAL A 14 28.761 2.517 -19.092 1.00 42.41 C ATOM 0 H VAL A 14 26.539 3.346 -20.312 1.00 54.25 H new ATOM 0 HA VAL A 14 25.582 1.274 -18.523 1.00 44.45 H new ATOM 0 HB VAL A 14 27.932 1.016 -17.836 1.00 44.03 H new ATOM 0 HG11 VAL A 14 28.694 -0.038 -19.951 1.00 13.21 H new ATOM 0 HG12 VAL A 14 26.982 -0.387 -19.610 1.00 13.21 H new ATOM 0 HG13 VAL A 14 27.415 0.834 -20.830 1.00 13.21 H new ATOM 0 HG21 VAL A 14 29.732 2.030 -19.176 1.00 42.41 H new ATOM 0 HG22 VAL A 14 28.526 3.023 -20.028 1.00 42.41 H new ATOM 0 HG23 VAL A 14 28.790 3.246 -18.282 1.00 42.41 H new ATOM 162 N THR A 15 25.354 2.639 -16.523 1.00 62.35 N ATOM 163 CA THR A 15 25.266 3.330 -15.284 1.00 70.21 C ATOM 164 C THR A 15 26.440 2.871 -14.451 1.00 24.34 C ATOM 165 O THR A 15 27.260 3.669 -13.980 1.00 4.22 O ATOM 166 CB THR A 15 23.935 2.999 -14.596 1.00 71.00 C ATOM 167 OG1 THR A 15 23.679 1.586 -14.724 1.00 53.52 O ATOM 168 CG2 THR A 15 22.793 3.787 -15.214 1.00 33.25 C ATOM 0 H THR A 15 24.721 1.844 -16.611 1.00 62.35 H new ATOM 0 HA THR A 15 25.297 4.411 -15.422 1.00 70.21 H new ATOM 0 HB THR A 15 24.004 3.273 -13.543 1.00 71.00 H new ATOM 0 HG1 THR A 15 23.144 1.422 -15.529 1.00 53.52 H new ATOM 0 HG21 THR A 15 21.861 3.534 -14.708 1.00 33.25 H new ATOM 0 HG22 THR A 15 22.987 4.854 -15.105 1.00 33.25 H new ATOM 0 HG23 THR A 15 22.711 3.539 -16.272 1.00 33.25 H new ATOM 176 N THR A 16 26.551 1.586 -14.348 1.00 34.01 N ATOM 177 CA THR A 16 27.640 0.959 -13.695 1.00 62.33 C ATOM 178 C THR A 16 28.460 0.246 -14.778 1.00 62.33 C ATOM 179 O THR A 16 28.037 -0.789 -15.304 1.00 4.14 O ATOM 180 CB THR A 16 27.115 -0.055 -12.663 1.00 32.31 C ATOM 181 OG1 THR A 16 26.076 0.573 -11.860 1.00 45.44 O ATOM 182 CG2 THR A 16 28.241 -0.517 -11.751 1.00 52.43 C ATOM 0 H THR A 16 25.866 0.932 -14.727 1.00 34.01 H new ATOM 0 HA THR A 16 28.255 1.686 -13.165 1.00 62.33 H new ATOM 0 HB THR A 16 26.711 -0.919 -13.191 1.00 32.31 H new ATOM 0 HG1 THR A 16 25.737 -0.070 -11.202 1.00 45.44 H new ATOM 0 HG21 THR A 16 27.852 -1.234 -11.027 1.00 52.43 H new ATOM 0 HG22 THR A 16 29.021 -0.990 -12.347 1.00 52.43 H new ATOM 0 HG23 THR A 16 28.658 0.341 -11.224 1.00 52.43 H new ATOM 190 N SER A 17 29.566 0.842 -15.161 1.00 53.04 N ATOM 191 CA SER A 17 30.404 0.314 -16.215 1.00 52.10 C ATOM 192 C SER A 17 31.229 -0.864 -15.700 1.00 61.15 C ATOM 193 O SER A 17 31.451 -1.839 -16.414 1.00 12.35 O ATOM 194 CB SER A 17 31.312 1.432 -16.775 1.00 13.42 C ATOM 195 OG SER A 17 32.069 1.003 -17.898 1.00 72.44 O ATOM 0 H SER A 17 29.911 1.709 -14.750 1.00 53.04 H new ATOM 0 HA SER A 17 29.773 -0.051 -17.025 1.00 52.10 H new ATOM 0 HB2 SER A 17 30.698 2.287 -17.059 1.00 13.42 H new ATOM 0 HB3 SER A 17 31.990 1.772 -15.992 1.00 13.42 H new ATOM 0 HG SER A 17 32.626 1.743 -18.219 1.00 72.44 H new ATOM 201 N GLN A 18 31.652 -0.790 -14.461 1.00 32.21 N ATOM 202 CA GLN A 18 32.438 -1.850 -13.896 1.00 74.22 C ATOM 203 C GLN A 18 31.543 -2.943 -13.388 1.00 44.22 C ATOM 204 O GLN A 18 30.481 -2.682 -12.815 1.00 45.43 O ATOM 205 CB GLN A 18 33.373 -1.342 -12.807 1.00 3.15 C ATOM 206 CG GLN A 18 34.469 -0.436 -13.334 1.00 61.15 C ATOM 207 CD GLN A 18 35.428 -0.002 -12.260 1.00 34.22 C ATOM 208 OE1 GLN A 18 35.251 1.033 -11.627 1.00 45.24 O ATOM 209 NE2 GLN A 18 36.428 -0.793 -12.028 1.00 0.13 N ATOM 0 H GLN A 18 31.464 -0.010 -13.831 1.00 32.21 H new ATOM 0 HA GLN A 18 33.070 -2.260 -14.684 1.00 74.22 H new ATOM 0 HB2 GLN A 18 32.791 -0.801 -12.061 1.00 3.15 H new ATOM 0 HB3 GLN A 18 33.827 -2.194 -12.301 1.00 3.15 H new ATOM 0 HG2 GLN A 18 35.019 -0.956 -14.118 1.00 61.15 H new ATOM 0 HG3 GLN A 18 34.018 0.445 -13.791 1.00 61.15 H new ATOM 0 HE21 GLN A 18 36.542 -1.646 -12.576 1.00 0.13 H new ATOM 0 HE22 GLN A 18 37.101 -0.563 -11.297 1.00 0.13 H new ATOM 218 N ILE A 19 31.926 -4.152 -13.638 1.00 44.01 N ATOM 219 CA ILE A 19 31.147 -5.279 -13.230 1.00 23.43 C ATOM 220 C ILE A 19 31.801 -5.901 -12.013 1.00 41.50 C ATOM 221 O ILE A 19 33.025 -6.080 -11.995 1.00 14.42 O ATOM 222 CB ILE A 19 31.021 -6.318 -14.381 1.00 12.45 C ATOM 223 CG1 ILE A 19 30.385 -5.651 -15.614 1.00 22.44 C ATOM 224 CG2 ILE A 19 30.208 -7.548 -13.948 1.00 51.15 C ATOM 225 CD1 ILE A 19 30.204 -6.560 -16.803 1.00 62.31 C ATOM 0 H ILE A 19 32.787 -4.388 -14.131 1.00 44.01 H new ATOM 0 HA ILE A 19 30.138 -4.952 -12.980 1.00 23.43 H new ATOM 0 HB ILE A 19 32.021 -6.667 -14.637 1.00 12.45 H new ATOM 0 HG12 ILE A 19 29.412 -5.249 -15.331 1.00 22.44 H new ATOM 0 HG13 ILE A 19 31.005 -4.805 -15.912 1.00 22.44 H new ATOM 0 HG21 ILE A 19 30.142 -8.251 -14.778 1.00 51.15 H new ATOM 0 HG22 ILE A 19 30.699 -8.030 -13.103 1.00 51.15 H new ATOM 0 HG23 ILE A 19 29.205 -7.237 -13.655 1.00 51.15 H new ATOM 0 HD11 ILE A 19 29.750 -6.002 -17.622 1.00 62.31 H new ATOM 0 HD12 ILE A 19 31.174 -6.943 -17.119 1.00 62.31 H new ATOM 0 HD13 ILE A 19 29.557 -7.393 -16.529 1.00 62.31 H new ATOM 237 N PRO A 20 31.015 -6.170 -10.959 1.00 42.12 N ATOM 238 CA PRO A 20 31.524 -6.782 -9.742 1.00 24.14 C ATOM 239 C PRO A 20 32.142 -8.148 -10.022 1.00 41.43 C ATOM 240 O PRO A 20 31.487 -9.060 -10.560 1.00 54.35 O ATOM 241 CB PRO A 20 30.290 -6.916 -8.838 1.00 53.30 C ATOM 242 CG PRO A 20 29.113 -6.736 -9.734 1.00 1.42 C ATOM 243 CD PRO A 20 29.574 -5.884 -10.874 1.00 14.14 C ATOM 0 HA PRO A 20 32.315 -6.188 -9.285 1.00 24.14 H new ATOM 0 HB2 PRO A 20 30.266 -7.891 -8.351 1.00 53.30 H new ATOM 0 HB3 PRO A 20 30.300 -6.165 -8.048 1.00 53.30 H new ATOM 0 HG2 PRO A 20 28.747 -7.698 -10.092 1.00 1.42 H new ATOM 0 HG3 PRO A 20 28.289 -6.260 -9.202 1.00 1.42 H new ATOM 0 HD2 PRO A 20 29.059 -6.140 -11.800 1.00 14.14 H new ATOM 0 HD3 PRO A 20 29.385 -4.827 -10.686 1.00 14.14 H new ATOM 251 N ALA A 21 33.394 -8.273 -9.701 1.00 65.43 N ATOM 252 CA ALA A 21 34.113 -9.493 -9.913 1.00 14.44 C ATOM 253 C ALA A 21 33.974 -10.371 -8.696 1.00 3.11 C ATOM 254 O ALA A 21 33.673 -9.880 -7.593 1.00 3.25 O ATOM 255 CB ALA A 21 35.577 -9.197 -10.189 1.00 30.13 C ATOM 0 H ALA A 21 33.949 -7.527 -9.282 1.00 65.43 H new ATOM 0 HA ALA A 21 33.700 -10.012 -10.778 1.00 14.44 H new ATOM 0 HB1 ALA A 21 36.114 -10.132 -10.349 1.00 30.13 H new ATOM 0 HB2 ALA A 21 35.661 -8.574 -11.080 1.00 30.13 H new ATOM 0 HB3 ALA A 21 36.009 -8.672 -9.337 1.00 30.13 H new ATOM 261 N SER A 22 34.146 -11.644 -8.873 1.00 30.10 N ATOM 262 CA SER A 22 34.082 -12.552 -7.776 1.00 45.52 C ATOM 263 C SER A 22 35.482 -13.005 -7.428 1.00 75.41 C ATOM 264 O SER A 22 36.041 -13.891 -8.071 1.00 42.35 O ATOM 265 CB SER A 22 33.192 -13.737 -8.113 1.00 50.13 C ATOM 266 OG SER A 22 31.891 -13.292 -8.512 1.00 10.35 O ATOM 0 H SER A 22 34.333 -12.079 -9.777 1.00 30.10 H new ATOM 0 HA SER A 22 33.645 -12.050 -6.913 1.00 45.52 H new ATOM 0 HB2 SER A 22 33.644 -14.322 -8.914 1.00 50.13 H new ATOM 0 HB3 SER A 22 33.108 -14.394 -7.247 1.00 50.13 H new ATOM 0 HG SER A 22 31.332 -14.067 -8.727 1.00 10.35 H new ATOM 272 N GLU A 23 36.065 -12.358 -6.459 1.00 72.13 N ATOM 273 CA GLU A 23 37.400 -12.673 -6.039 1.00 51.30 C ATOM 274 C GLU A 23 37.361 -13.848 -5.094 1.00 35.14 C ATOM 275 O GLU A 23 37.142 -13.698 -3.889 1.00 1.53 O ATOM 276 CB GLU A 23 38.087 -11.464 -5.399 1.00 40.41 C ATOM 277 CG GLU A 23 38.199 -10.263 -6.326 1.00 65.24 C ATOM 278 CD GLU A 23 38.887 -9.087 -5.680 1.00 41.23 C ATOM 279 OE1 GLU A 23 38.221 -8.287 -5.012 1.00 64.50 O ATOM 280 OE2 GLU A 23 40.109 -8.936 -5.840 1.00 12.14 O ATOM 0 H GLU A 23 35.628 -11.598 -5.938 1.00 72.13 H new ATOM 0 HA GLU A 23 37.991 -12.941 -6.915 1.00 51.30 H new ATOM 0 HB2 GLU A 23 37.533 -11.173 -4.507 1.00 40.41 H new ATOM 0 HB3 GLU A 23 39.086 -11.755 -5.073 1.00 40.41 H new ATOM 0 HG2 GLU A 23 38.748 -10.552 -7.222 1.00 65.24 H new ATOM 0 HG3 GLU A 23 37.201 -9.963 -6.646 1.00 65.24 H new ATOM 287 N GLN A 24 37.459 -15.012 -5.661 1.00 53.33 N ATOM 288 CA GLN A 24 37.461 -16.237 -4.912 1.00 25.11 C ATOM 289 C GLN A 24 38.889 -16.672 -4.735 1.00 21.45 C ATOM 290 O GLN A 24 39.749 -16.260 -5.521 1.00 14.43 O ATOM 291 CB GLN A 24 36.650 -17.297 -5.650 1.00 75.42 C ATOM 292 CG GLN A 24 35.197 -16.904 -5.841 1.00 1.02 C ATOM 293 CD GLN A 24 34.405 -17.936 -6.585 1.00 43.30 C ATOM 294 OE1 GLN A 24 34.311 -17.895 -7.816 1.00 22.24 O ATOM 295 NE2 GLN A 24 33.836 -18.869 -5.863 1.00 2.23 N ATOM 0 H GLN A 24 37.541 -15.142 -6.669 1.00 53.33 H new ATOM 0 HA GLN A 24 37.002 -16.092 -3.934 1.00 25.11 H new ATOM 0 HB2 GLN A 24 37.103 -17.480 -6.625 1.00 75.42 H new ATOM 0 HB3 GLN A 24 36.697 -18.234 -5.096 1.00 75.42 H new ATOM 0 HG2 GLN A 24 34.740 -16.737 -4.866 1.00 1.02 H new ATOM 0 HG3 GLN A 24 35.150 -15.959 -6.381 1.00 1.02 H new ATOM 0 HE21 GLN A 24 33.940 -18.864 -4.848 1.00 2.23 H new ATOM 0 HE22 GLN A 24 33.288 -19.601 -6.315 1.00 2.23 H new ATOM 304 N GLU A 25 39.151 -17.455 -3.719 1.00 20.02 N ATOM 305 CA GLU A 25 40.494 -17.912 -3.414 1.00 11.33 C ATOM 306 C GLU A 25 41.014 -18.778 -4.568 1.00 22.14 C ATOM 307 O GLU A 25 40.570 -19.918 -4.778 1.00 34.32 O ATOM 308 CB GLU A 25 40.519 -18.677 -2.083 1.00 63.05 C ATOM 309 CG GLU A 25 39.883 -17.910 -0.922 1.00 74.12 C ATOM 310 CD GLU A 25 40.042 -18.607 0.410 1.00 42.43 C ATOM 311 OE1 GLU A 25 39.632 -19.782 0.547 1.00 41.50 O ATOM 312 OE2 GLU A 25 40.573 -17.979 1.360 1.00 53.42 O ATOM 0 H GLU A 25 38.439 -17.798 -3.074 1.00 20.02 H new ATOM 0 HA GLU A 25 41.151 -17.050 -3.304 1.00 11.33 H new ATOM 0 HB2 GLU A 25 39.997 -19.626 -2.209 1.00 63.05 H new ATOM 0 HB3 GLU A 25 41.552 -18.913 -1.829 1.00 63.05 H new ATOM 0 HG2 GLU A 25 40.331 -16.918 -0.862 1.00 74.12 H new ATOM 0 HG3 GLU A 25 38.822 -17.769 -1.126 1.00 74.12 H new ATOM 319 N THR A 26 41.910 -18.214 -5.328 1.00 51.52 N ATOM 320 CA THR A 26 42.413 -18.835 -6.505 1.00 53.31 C ATOM 321 C THR A 26 43.563 -19.779 -6.182 1.00 53.35 C ATOM 322 O THR A 26 44.566 -19.382 -5.570 1.00 30.52 O ATOM 323 CB THR A 26 42.871 -17.750 -7.504 1.00 42.31 C ATOM 324 OG1 THR A 26 41.782 -16.824 -7.708 1.00 20.15 O ATOM 325 CG2 THR A 26 43.256 -18.365 -8.845 1.00 70.41 C ATOM 0 H THR A 26 42.313 -17.296 -5.138 1.00 51.52 H new ATOM 0 HA THR A 26 41.616 -19.428 -6.953 1.00 53.31 H new ATOM 0 HB THR A 26 43.744 -17.242 -7.095 1.00 42.31 H new ATOM 0 HG1 THR A 26 42.059 -16.128 -8.339 1.00 20.15 H new ATOM 0 HG21 THR A 26 43.574 -17.578 -9.528 1.00 70.41 H new ATOM 0 HG22 THR A 26 44.073 -19.072 -8.700 1.00 70.41 H new ATOM 0 HG23 THR A 26 42.396 -18.886 -9.267 1.00 70.41 H new ATOM 333 N LEU A 27 43.385 -21.030 -6.541 1.00 5.11 N ATOM 334 CA LEU A 27 44.429 -22.008 -6.421 1.00 60.50 C ATOM 335 C LEU A 27 45.360 -21.813 -7.579 1.00 75.55 C ATOM 336 O LEU A 27 44.913 -21.686 -8.722 1.00 13.21 O ATOM 337 CB LEU A 27 43.854 -23.423 -6.442 1.00 70.13 C ATOM 338 CG LEU A 27 42.919 -23.778 -5.291 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.294 -25.138 -5.517 1.00 0.21 C ATOM 340 CD2 LEU A 27 43.669 -23.770 -3.971 1.00 40.21 C ATOM 0 H LEU A 27 42.512 -21.393 -6.923 1.00 5.11 H new ATOM 0 HA LEU A 27 44.954 -21.883 -5.474 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.315 -23.561 -7.379 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.683 -24.131 -6.443 1.00 70.13 H new ATOM 0 HG LEU A 27 42.130 -23.027 -5.252 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.630 -25.376 -4.686 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.724 -25.127 -6.446 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.078 -25.892 -5.582 1.00 0.21 H new ATOM 0 HD21 LEU A 27 42.985 -24.026 -3.162 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.477 -24.501 -4.007 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.085 -22.778 -3.795 1.00 40.21 H new ATOM 352 N VAL A 28 46.614 -21.764 -7.311 1.00 40.25 N ATOM 353 CA VAL A 28 47.586 -21.511 -8.338 1.00 11.42 C ATOM 354 C VAL A 28 48.233 -22.819 -8.781 1.00 51.22 C ATOM 355 O VAL A 28 48.253 -23.800 -8.022 1.00 23.41 O ATOM 356 CB VAL A 28 48.664 -20.484 -7.868 1.00 72.31 C ATOM 357 CG1 VAL A 28 47.995 -19.211 -7.359 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.585 -21.063 -6.799 1.00 61.10 C ATOM 0 H VAL A 28 47.006 -21.896 -6.379 1.00 40.25 H new ATOM 0 HA VAL A 28 47.071 -21.069 -9.191 1.00 11.42 H new ATOM 0 HB VAL A 28 49.283 -20.245 -8.733 1.00 72.31 H new ATOM 0 HG11 VAL A 28 48.758 -18.504 -7.034 1.00 1.12 H new ATOM 0 HG12 VAL A 28 47.404 -18.766 -8.159 1.00 1.12 H new ATOM 0 HG13 VAL A 28 47.344 -19.453 -6.519 1.00 1.12 H new ATOM 0 HG21 VAL A 28 50.318 -20.312 -6.504 1.00 61.10 H new ATOM 0 HG22 VAL A 28 48.995 -21.355 -5.930 1.00 61.10 H new ATOM 0 HG23 VAL A 28 50.101 -21.936 -7.198 1.00 61.10 H new ATOM 368 N ARG A 29 48.714 -22.851 -10.005 1.00 35.24 N ATOM 369 CA ARG A 29 49.357 -24.043 -10.544 1.00 74.24 C ATOM 370 C ARG A 29 50.870 -23.869 -10.437 1.00 40.32 C ATOM 371 O ARG A 29 51.431 -23.003 -11.092 1.00 20.51 O ATOM 372 CB ARG A 29 48.979 -24.254 -12.018 1.00 11.01 C ATOM 373 CG ARG A 29 47.488 -24.147 -12.334 1.00 63.52 C ATOM 374 CD ARG A 29 46.619 -25.057 -11.484 1.00 40.33 C ATOM 375 NE ARG A 29 46.899 -26.476 -11.668 1.00 65.21 N ATOM 376 CZ ARG A 29 46.053 -27.460 -11.339 1.00 15.23 C ATOM 377 NH1 ARG A 29 44.819 -27.170 -10.935 1.00 52.24 N ATOM 378 NH2 ARG A 29 46.425 -28.721 -11.467 1.00 32.15 N ATOM 0 H ARG A 29 48.674 -22.064 -10.653 1.00 35.24 H new ATOM 0 HA ARG A 29 49.025 -24.912 -9.976 1.00 74.24 H new ATOM 0 HB2 ARG A 29 49.514 -23.521 -12.621 1.00 11.01 H new ATOM 0 HB3 ARG A 29 49.329 -25.239 -12.328 1.00 11.01 H new ATOM 0 HG2 ARG A 29 47.168 -23.115 -12.190 1.00 63.52 H new ATOM 0 HG3 ARG A 29 47.330 -24.386 -13.386 1.00 63.52 H new ATOM 0 HD2 ARG A 29 46.760 -24.801 -10.434 1.00 40.33 H new ATOM 0 HD3 ARG A 29 45.572 -24.869 -11.720 1.00 40.33 H new ATOM 0 HE ARG A 29 47.798 -26.736 -12.074 1.00 65.21 H new ATOM 0 HH11 ARG A 29 44.517 -26.198 -10.876 1.00 52.24 H new ATOM 0 HH12 ARG A 29 44.175 -27.920 -10.684 1.00 52.24 H new ATOM 0 HH21 ARG A 29 47.357 -28.945 -11.816 1.00 32.15 H new ATOM 0 HH22 ARG A 29 45.781 -29.471 -11.216 1.00 32.15 H new ATOM 392 N PRO A 30 51.541 -24.663 -9.605 1.00 1.41 N ATOM 393 CA PRO A 30 52.974 -24.524 -9.377 1.00 43.14 C ATOM 394 C PRO A 30 53.872 -25.212 -10.426 1.00 24.23 C ATOM 395 O PRO A 30 53.733 -26.412 -10.710 1.00 23.12 O ATOM 396 CB PRO A 30 53.171 -25.178 -8.014 1.00 54.02 C ATOM 397 CG PRO A 30 52.081 -26.199 -7.901 1.00 53.23 C ATOM 398 CD PRO A 30 50.956 -25.754 -8.805 1.00 55.33 C ATOM 0 HA PRO A 30 53.268 -23.476 -9.439 1.00 43.14 H new ATOM 0 HB2 PRO A 30 54.154 -25.643 -7.940 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.105 -24.443 -7.212 1.00 54.02 H new ATOM 0 HG2 PRO A 30 52.444 -27.184 -8.195 1.00 53.23 H new ATOM 0 HG3 PRO A 30 51.736 -26.281 -6.870 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.609 -26.570 -9.439 1.00 55.33 H new ATOM 0 HD3 PRO A 30 50.097 -25.409 -8.230 1.00 55.33 H new ATOM 406 N LYS A 31 54.786 -24.432 -10.991 1.00 71.41 N ATOM 407 CA LYS A 31 55.827 -24.934 -11.896 1.00 13.12 C ATOM 408 C LYS A 31 56.869 -25.756 -11.104 1.00 60.43 C ATOM 409 O LYS A 31 56.879 -25.693 -9.872 1.00 12.54 O ATOM 410 CB LYS A 31 56.506 -23.750 -12.608 1.00 45.42 C ATOM 411 CG LYS A 31 55.656 -23.125 -13.684 1.00 33.03 C ATOM 412 CD LYS A 31 56.369 -21.972 -14.357 1.00 44.22 C ATOM 413 CE LYS A 31 55.496 -21.349 -15.430 1.00 72.11 C ATOM 414 NZ LYS A 31 56.123 -20.162 -16.046 1.00 53.45 N ATOM 0 H LYS A 31 54.831 -23.425 -10.836 1.00 71.41 H new ATOM 0 HA LYS A 31 55.372 -25.584 -12.643 1.00 13.12 H new ATOM 0 HB2 LYS A 31 56.759 -22.990 -11.869 1.00 45.42 H new ATOM 0 HB3 LYS A 31 57.443 -24.091 -13.049 1.00 45.42 H new ATOM 0 HG2 LYS A 31 55.398 -23.878 -14.428 1.00 33.03 H new ATOM 0 HG3 LYS A 31 54.720 -22.772 -13.250 1.00 33.03 H new ATOM 0 HD2 LYS A 31 56.633 -21.219 -13.614 1.00 44.22 H new ATOM 0 HD3 LYS A 31 57.301 -22.324 -14.799 1.00 44.22 H new ATOM 0 HE2 LYS A 31 55.290 -22.090 -16.202 1.00 72.11 H new ATOM 0 HE3 LYS A 31 54.537 -21.066 -14.996 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 55.716 -20.005 -16.990 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 55.948 -19.328 -15.450 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 57.148 -20.316 -16.133 1.00 53.45 H new ATOM 428 N PRO A 32 57.780 -26.526 -11.793 1.00 4.31 N ATOM 429 CA PRO A 32 58.821 -27.367 -11.141 1.00 5.12 C ATOM 430 C PRO A 32 59.663 -26.612 -10.119 1.00 74.20 C ATOM 431 O PRO A 32 60.083 -27.178 -9.113 1.00 50.13 O ATOM 432 CB PRO A 32 59.706 -27.817 -12.316 1.00 54.05 C ATOM 433 CG PRO A 32 59.343 -26.895 -13.418 1.00 52.24 C ATOM 434 CD PRO A 32 57.877 -26.680 -13.256 1.00 71.25 C ATOM 0 HA PRO A 32 58.366 -28.182 -10.577 1.00 5.12 H new ATOM 0 HB2 PRO A 32 60.765 -27.744 -12.068 1.00 54.05 H new ATOM 0 HB3 PRO A 32 59.513 -28.855 -12.585 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.892 -25.956 -13.347 1.00 52.24 H new ATOM 0 HG3 PRO A 32 59.576 -27.328 -14.391 1.00 52.24 H new ATOM 0 HD2 PRO A 32 57.528 -25.795 -13.789 1.00 71.25 H new ATOM 0 HD3 PRO A 32 57.293 -27.524 -13.622 1.00 71.25 H new ATOM 442 N LEU A 33 59.881 -25.334 -10.373 1.00 43.22 N ATOM 443 CA LEU A 33 60.649 -24.478 -9.480 1.00 61.34 C ATOM 444 C LEU A 33 59.944 -24.406 -8.121 1.00 33.42 C ATOM 445 O LEU A 33 60.546 -24.597 -7.050 1.00 21.42 O ATOM 446 CB LEU A 33 60.751 -23.074 -10.081 1.00 61.22 C ATOM 447 CG LEU A 33 61.275 -22.994 -11.516 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.281 -21.561 -11.998 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.662 -23.600 -11.621 1.00 21.44 C ATOM 0 H LEU A 33 59.531 -24.858 -11.204 1.00 43.22 H new ATOM 0 HA LEU A 33 61.651 -24.887 -9.350 1.00 61.34 H new ATOM 0 HB2 LEU A 33 59.763 -22.615 -10.050 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.401 -22.474 -9.444 1.00 61.22 H new ATOM 0 HG LEU A 33 60.606 -23.570 -12.155 1.00 51.04 H new ATOM 0 HD11 LEU A 33 61.657 -21.523 -13.021 1.00 51.51 H new ATOM 0 HD12 LEU A 33 60.267 -21.163 -11.969 1.00 51.51 H new ATOM 0 HD13 LEU A 33 61.924 -20.963 -11.353 1.00 51.51 H new ATOM 0 HD21 LEU A 33 63.012 -23.531 -12.651 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.346 -23.058 -10.968 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.625 -24.647 -11.320 1.00 21.44 H new ATOM 461 N LEU A 34 58.661 -24.190 -8.181 1.00 3.45 N ATOM 462 CA LEU A 34 57.856 -24.122 -7.002 1.00 64.14 C ATOM 463 C LEU A 34 57.699 -25.509 -6.421 1.00 22.24 C ATOM 464 O LEU A 34 57.874 -25.693 -5.243 1.00 75.12 O ATOM 465 CB LEU A 34 56.494 -23.440 -7.269 1.00 35.35 C ATOM 466 CG LEU A 34 56.496 -21.889 -7.402 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.434 -21.398 -8.488 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.093 -21.371 -7.659 1.00 52.54 C ATOM 0 H LEU A 34 58.146 -24.056 -9.051 1.00 3.45 H new ATOM 0 HA LEU A 34 58.361 -23.494 -6.267 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.079 -23.858 -8.186 1.00 35.35 H new ATOM 0 HB3 LEU A 34 55.815 -23.710 -6.460 1.00 35.35 H new ATOM 0 HG LEU A 34 56.861 -21.496 -6.453 1.00 62.21 H new ATOM 0 HD11 LEU A 34 57.396 -20.310 -8.537 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.452 -21.715 -8.261 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.130 -21.815 -9.448 1.00 72.03 H new ATOM 0 HD21 LEU A 34 55.117 -20.285 -7.749 1.00 52.54 H new ATOM 0 HD22 LEU A 34 54.709 -21.803 -8.583 1.00 52.54 H new ATOM 0 HD23 LEU A 34 54.444 -21.652 -6.830 1.00 52.54 H new ATOM 480 N LEU A 35 57.460 -26.493 -7.283 1.00 65.12 N ATOM 481 CA LEU A 35 57.312 -27.888 -6.859 1.00 5.32 C ATOM 482 C LEU A 35 58.504 -28.393 -6.074 1.00 54.41 C ATOM 483 O LEU A 35 58.332 -29.145 -5.101 1.00 53.44 O ATOM 484 CB LEU A 35 57.081 -28.812 -8.036 1.00 2.42 C ATOM 485 CG LEU A 35 55.751 -28.683 -8.756 1.00 12.12 C ATOM 486 CD1 LEU A 35 55.710 -29.668 -9.887 1.00 24.24 C ATOM 487 CD2 LEU A 35 54.592 -28.935 -7.801 1.00 71.40 C ATOM 0 H LEU A 35 57.363 -26.351 -8.288 1.00 65.12 H new ATOM 0 HA LEU A 35 56.438 -27.898 -6.208 1.00 5.32 H new ATOM 0 HB2 LEU A 35 57.878 -28.644 -8.761 1.00 2.42 H new ATOM 0 HB3 LEU A 35 57.180 -29.840 -7.686 1.00 2.42 H new ATOM 0 HG LEU A 35 55.653 -27.669 -9.145 1.00 12.12 H new ATOM 0 HD11 LEU A 35 54.757 -29.582 -10.410 1.00 24.24 H new ATOM 0 HD12 LEU A 35 56.525 -29.460 -10.581 1.00 24.24 H new ATOM 0 HD13 LEU A 35 55.818 -30.679 -9.493 1.00 24.24 H new ATOM 0 HD21 LEU A 35 53.649 -28.837 -8.339 1.00 71.40 H new ATOM 0 HD22 LEU A 35 54.672 -29.941 -7.389 1.00 71.40 H new ATOM 0 HD23 LEU A 35 54.624 -28.207 -6.990 1.00 71.40 H new ATOM 499 N LYS A 36 59.711 -28.014 -6.490 1.00 42.34 N ATOM 500 CA LYS A 36 60.894 -28.454 -5.789 1.00 34.14 C ATOM 501 C LYS A 36 60.925 -27.864 -4.383 1.00 62.12 C ATOM 502 O LYS A 36 61.147 -28.591 -3.400 1.00 31.42 O ATOM 503 CB LYS A 36 62.218 -28.175 -6.576 1.00 22.41 C ATOM 504 CG LYS A 36 62.639 -26.710 -6.724 1.00 43.13 C ATOM 505 CD LYS A 36 63.950 -26.586 -7.501 1.00 75.31 C ATOM 506 CE LYS A 36 64.442 -25.134 -7.613 1.00 21.21 C ATOM 507 NZ LYS A 36 64.631 -24.493 -6.287 1.00 23.02 N ATOM 0 H LYS A 36 59.885 -27.413 -7.296 1.00 42.34 H new ATOM 0 HA LYS A 36 60.836 -29.539 -5.706 1.00 34.14 H new ATOM 0 HB2 LYS A 36 63.027 -28.712 -6.081 1.00 22.41 H new ATOM 0 HB3 LYS A 36 62.116 -28.601 -7.574 1.00 22.41 H new ATOM 0 HG2 LYS A 36 61.855 -26.154 -7.238 1.00 43.13 H new ATOM 0 HG3 LYS A 36 62.754 -26.261 -5.738 1.00 43.13 H new ATOM 0 HD2 LYS A 36 64.716 -27.187 -7.011 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.814 -26.997 -8.501 1.00 75.31 H new ATOM 0 HE2 LYS A 36 65.385 -25.115 -8.160 1.00 21.21 H new ATOM 0 HE3 LYS A 36 63.724 -24.555 -8.194 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.179 -23.617 -6.400 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 63.703 -24.270 -5.874 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.143 -25.143 -5.657 1.00 23.02 H new ATOM 521 N LEU A 37 60.603 -26.577 -4.269 1.00 21.34 N ATOM 522 CA LEU A 37 60.650 -25.933 -2.975 1.00 4.13 C ATOM 523 C LEU A 37 59.483 -26.391 -2.087 1.00 55.22 C ATOM 524 O LEU A 37 59.680 -26.718 -0.927 1.00 44.31 O ATOM 525 CB LEU A 37 60.771 -24.378 -3.103 1.00 20.40 C ATOM 526 CG LEU A 37 59.583 -23.555 -3.659 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.525 -23.286 -2.592 1.00 0.31 C ATOM 528 CD2 LEU A 37 60.073 -22.248 -4.262 1.00 24.22 C ATOM 0 H LEU A 37 60.314 -25.978 -5.042 1.00 21.34 H new ATOM 0 HA LEU A 37 61.560 -26.252 -2.467 1.00 4.13 H new ATOM 0 HB2 LEU A 37 61.001 -23.987 -2.112 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.634 -24.170 -3.735 1.00 20.40 H new ATOM 0 HG LEU A 37 59.114 -24.152 -4.442 1.00 70.33 H new ATOM 0 HD11 LEU A 37 57.710 -22.706 -3.026 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.137 -24.233 -2.217 1.00 0.31 H new ATOM 0 HD13 LEU A 37 58.971 -22.726 -1.770 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.224 -21.684 -4.647 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.581 -21.662 -3.496 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.767 -22.460 -5.076 1.00 24.22 H new ATOM 540 N LEU A 38 58.301 -26.492 -2.684 1.00 2.01 N ATOM 541 CA LEU A 38 57.075 -26.862 -1.989 1.00 62.52 C ATOM 542 C LEU A 38 57.173 -28.227 -1.365 1.00 61.11 C ATOM 543 O LEU A 38 56.974 -28.398 -0.166 1.00 21.21 O ATOM 544 CB LEU A 38 55.881 -26.876 -2.947 1.00 42.14 C ATOM 545 CG LEU A 38 55.446 -25.558 -3.564 1.00 23.53 C ATOM 546 CD1 LEU A 38 54.328 -25.816 -4.548 1.00 63.33 C ATOM 547 CD2 LEU A 38 54.996 -24.578 -2.499 1.00 34.23 C ATOM 0 H LEU A 38 58.166 -26.316 -3.680 1.00 2.01 H new ATOM 0 HA LEU A 38 56.932 -26.112 -1.211 1.00 62.52 H new ATOM 0 HB2 LEU A 38 56.113 -27.565 -3.760 1.00 42.14 H new ATOM 0 HB3 LEU A 38 55.028 -27.291 -2.411 1.00 42.14 H new ATOM 0 HG LEU A 38 56.296 -25.114 -4.083 1.00 23.53 H new ATOM 0 HD11 LEU A 38 54.011 -24.873 -4.994 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.680 -26.488 -5.331 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.485 -26.273 -4.029 1.00 63.33 H new ATOM 0 HD21 LEU A 38 54.690 -23.644 -2.970 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.154 -24.999 -1.949 1.00 34.23 H new ATOM 0 HD23 LEU A 38 55.819 -24.385 -1.811 1.00 34.23 H new ATOM 559 N LYS A 39 57.504 -29.206 -2.152 1.00 4.41 N ATOM 560 CA LYS A 39 57.468 -30.544 -1.659 1.00 72.50 C ATOM 561 C LYS A 39 58.679 -30.888 -0.823 1.00 71.11 C ATOM 562 O LYS A 39 58.693 -31.898 -0.134 1.00 23.23 O ATOM 563 CB LYS A 39 57.129 -31.555 -2.750 1.00 34.33 C ATOM 564 CG LYS A 39 55.737 -31.308 -3.334 1.00 51.34 C ATOM 565 CD LYS A 39 55.308 -32.368 -4.333 1.00 50.31 C ATOM 566 CE LYS A 39 53.889 -32.086 -4.829 1.00 14.03 C ATOM 567 NZ LYS A 39 53.386 -33.126 -5.750 1.00 31.25 N ATOM 0 H LYS A 39 57.798 -29.104 -3.124 1.00 4.41 H new ATOM 0 HA LYS A 39 56.635 -30.610 -0.959 1.00 72.50 H new ATOM 0 HB2 LYS A 39 57.873 -31.497 -3.544 1.00 34.33 H new ATOM 0 HB3 LYS A 39 57.178 -32.564 -2.340 1.00 34.33 H new ATOM 0 HG2 LYS A 39 55.011 -31.269 -2.522 1.00 51.34 H new ATOM 0 HG3 LYS A 39 55.723 -30.333 -3.821 1.00 51.34 H new ATOM 0 HD2 LYS A 39 55.999 -32.384 -5.176 1.00 50.31 H new ATOM 0 HD3 LYS A 39 55.349 -33.353 -3.869 1.00 50.31 H new ATOM 0 HE2 LYS A 39 53.218 -32.010 -3.973 1.00 14.03 H new ATOM 0 HE3 LYS A 39 53.871 -31.120 -5.334 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 52.692 -32.707 -6.401 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 54.179 -33.520 -6.296 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 52.932 -33.885 -5.202 1.00 31.25 H new ATOM 581 N SER A 40 59.684 -30.025 -0.844 1.00 51.14 N ATOM 582 CA SER A 40 60.789 -30.190 0.063 1.00 42.10 C ATOM 583 C SER A 40 60.476 -29.541 1.427 1.00 14.45 C ATOM 584 O SER A 40 61.200 -29.738 2.402 1.00 42.43 O ATOM 585 CB SER A 40 62.069 -29.622 -0.533 1.00 12.23 C ATOM 586 OG SER A 40 62.384 -30.285 -1.758 1.00 61.15 O ATOM 0 H SER A 40 59.750 -29.222 -1.469 1.00 51.14 H new ATOM 0 HA SER A 40 60.941 -31.257 0.225 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.952 -28.553 -0.710 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.890 -29.740 0.174 1.00 12.23 H new ATOM 0 HG SER A 40 62.181 -29.693 -2.512 1.00 61.15 H new ATOM 592 N VAL A 41 59.396 -28.758 1.493 1.00 11.22 N ATOM 593 CA VAL A 41 59.018 -28.122 2.749 1.00 71.41 C ATOM 594 C VAL A 41 57.729 -28.681 3.321 1.00 64.32 C ATOM 595 O VAL A 41 57.243 -28.216 4.352 1.00 51.12 O ATOM 596 CB VAL A 41 58.979 -26.573 2.683 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.348 -26.023 2.322 1.00 44.32 C ATOM 598 CG2 VAL A 41 57.922 -26.076 1.711 1.00 74.11 C ATOM 0 H VAL A 41 58.781 -28.554 0.705 1.00 11.22 H new ATOM 0 HA VAL A 41 59.823 -28.376 3.438 1.00 71.41 H new ATOM 0 HB VAL A 41 58.705 -26.206 3.672 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.303 -24.935 2.280 1.00 44.32 H new ATOM 0 HG12 VAL A 41 61.073 -26.327 3.077 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.651 -26.412 1.350 1.00 44.32 H new ATOM 0 HG21 VAL A 41 57.927 -24.986 1.694 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.139 -26.455 0.712 1.00 74.11 H new ATOM 0 HG23 VAL A 41 56.941 -26.429 2.028 1.00 74.11 H new ATOM 608 N GLY A 42 57.193 -29.686 2.667 1.00 13.41 N ATOM 609 CA GLY A 42 56.036 -30.356 3.205 1.00 34.34 C ATOM 610 C GLY A 42 54.728 -29.991 2.547 1.00 74.23 C ATOM 611 O GLY A 42 53.676 -30.045 3.184 1.00 22.34 O ATOM 0 H GLY A 42 57.533 -30.051 1.778 1.00 13.41 H new ATOM 0 HA2 GLY A 42 56.183 -31.432 3.116 1.00 34.34 H new ATOM 0 HA3 GLY A 42 55.966 -30.131 4.269 1.00 34.34 H new ATOM 615 N ALA A 43 54.763 -29.621 1.288 1.00 52.43 N ATOM 616 CA ALA A 43 53.525 -29.332 0.575 1.00 31.35 C ATOM 617 C ALA A 43 52.902 -30.618 0.084 1.00 13.11 C ATOM 618 O ALA A 43 53.441 -31.282 -0.805 1.00 2.23 O ATOM 619 CB ALA A 43 53.763 -28.404 -0.587 1.00 2.41 C ATOM 0 H ALA A 43 55.615 -29.512 0.738 1.00 52.43 H new ATOM 0 HA ALA A 43 52.845 -28.837 1.269 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.819 -28.209 -1.097 1.00 2.41 H new ATOM 0 HB2 ALA A 43 54.179 -27.465 -0.223 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.463 -28.865 -1.284 1.00 2.41 H new ATOM 625 N GLN A 44 51.801 -30.984 0.679 1.00 11.11 N ATOM 626 CA GLN A 44 51.114 -32.213 0.335 1.00 14.10 C ATOM 627 C GLN A 44 50.072 -31.952 -0.739 1.00 41.31 C ATOM 628 O GLN A 44 49.688 -32.853 -1.496 1.00 14.35 O ATOM 629 CB GLN A 44 50.451 -32.784 1.575 1.00 34.11 C ATOM 630 CG GLN A 44 51.406 -32.969 2.734 1.00 12.52 C ATOM 631 CD GLN A 44 50.711 -33.490 3.958 1.00 43.54 C ATOM 632 OE1 GLN A 44 50.610 -34.698 4.175 1.00 52.22 O ATOM 633 NE2 GLN A 44 50.210 -32.595 4.755 1.00 5.12 N ATOM 0 H GLN A 44 51.349 -30.444 1.417 1.00 11.11 H new ATOM 0 HA GLN A 44 51.837 -32.930 -0.052 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.641 -32.122 1.883 1.00 34.11 H new ATOM 0 HB3 GLN A 44 50.001 -33.745 1.328 1.00 34.11 H new ATOM 0 HG2 GLN A 44 52.197 -33.660 2.445 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.883 -32.017 2.966 1.00 12.52 H new ATOM 0 HE21 GLN A 44 50.316 -31.604 4.539 1.00 5.12 H new ATOM 0 HE22 GLN A 44 49.711 -32.884 5.597 1.00 5.12 H new ATOM 642 N LYS A 45 49.635 -30.724 -0.809 1.00 34.22 N ATOM 643 CA LYS A 45 48.649 -30.312 -1.760 1.00 1.22 C ATOM 644 C LYS A 45 49.335 -29.907 -3.042 1.00 34.45 C ATOM 645 O LYS A 45 50.384 -29.263 -3.014 1.00 73.42 O ATOM 646 CB LYS A 45 47.855 -29.128 -1.204 1.00 41.14 C ATOM 647 CG LYS A 45 47.037 -29.443 0.044 1.00 41.43 C ATOM 648 CD LYS A 45 46.460 -28.177 0.678 1.00 52.41 C ATOM 649 CE LYS A 45 45.525 -27.414 -0.257 1.00 2.42 C ATOM 650 NZ LYS A 45 44.990 -26.191 0.377 1.00 21.35 N ATOM 0 H LYS A 45 49.960 -29.975 -0.198 1.00 34.22 H new ATOM 0 HA LYS A 45 47.965 -31.138 -1.956 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.548 -28.319 -0.974 1.00 41.14 H new ATOM 0 HB3 LYS A 45 47.183 -28.761 -1.980 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.225 -30.122 -0.215 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.665 -29.959 0.770 1.00 41.43 H new ATOM 0 HD2 LYS A 45 45.918 -28.446 1.585 1.00 52.41 H new ATOM 0 HD3 LYS A 45 47.278 -27.522 0.978 1.00 52.41 H new ATOM 0 HE2 LYS A 45 46.061 -27.146 -1.167 1.00 2.42 H new ATOM 0 HE3 LYS A 45 44.699 -28.061 -0.552 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 44.333 -25.719 -0.277 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 44.486 -26.445 1.250 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 45.774 -25.547 0.605 1.00 21.35 H new ATOM 664 N ASP A 46 48.755 -30.283 -4.158 1.00 71.23 N ATOM 665 CA ASP A 46 49.297 -29.919 -5.464 1.00 33.11 C ATOM 666 C ASP A 46 48.705 -28.614 -5.926 1.00 43.41 C ATOM 667 O ASP A 46 49.085 -28.071 -6.963 1.00 45.42 O ATOM 668 CB ASP A 46 49.079 -31.013 -6.522 1.00 22.43 C ATOM 669 CG ASP A 46 50.005 -32.200 -6.368 1.00 54.13 C ATOM 670 OD1 ASP A 46 51.178 -32.112 -6.786 1.00 45.24 O ATOM 671 OD2 ASP A 46 49.576 -33.248 -5.838 1.00 72.22 O ATOM 0 H ASP A 46 47.904 -30.843 -4.196 1.00 71.23 H new ATOM 0 HA ASP A 46 50.375 -29.807 -5.344 1.00 33.11 H new ATOM 0 HB2 ASP A 46 48.047 -31.359 -6.467 1.00 22.43 H new ATOM 0 HB3 ASP A 46 49.218 -30.581 -7.513 1.00 22.43 H new ATOM 676 N THR A 47 47.769 -28.115 -5.156 1.00 73.34 N ATOM 677 CA THR A 47 47.151 -26.846 -5.408 1.00 64.41 C ATOM 678 C THR A 47 47.038 -26.075 -4.123 1.00 71.43 C ATOM 679 O THR A 47 46.787 -26.656 -3.066 1.00 40.44 O ATOM 680 CB THR A 47 45.781 -26.980 -6.078 1.00 20.33 C ATOM 681 OG1 THR A 47 45.073 -28.120 -5.545 1.00 44.41 O ATOM 682 CG2 THR A 47 45.916 -27.075 -7.591 1.00 54.35 C ATOM 0 H THR A 47 47.413 -28.590 -4.326 1.00 73.34 H new ATOM 0 HA THR A 47 47.787 -26.304 -6.108 1.00 64.41 H new ATOM 0 HB THR A 47 45.202 -26.083 -5.858 1.00 20.33 H new ATOM 0 HG1 THR A 47 44.198 -28.194 -5.980 1.00 44.41 H new ATOM 0 HG21 THR A 47 44.927 -27.169 -8.039 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.402 -26.176 -7.970 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.516 -27.948 -7.849 1.00 54.35 H new ATOM 690 N TYR A 48 47.236 -24.794 -4.206 1.00 21.32 N ATOM 691 CA TYR A 48 47.280 -23.943 -3.051 1.00 72.11 C ATOM 692 C TYR A 48 47.045 -22.514 -3.502 1.00 63.32 C ATOM 693 O TYR A 48 47.229 -22.217 -4.682 1.00 44.22 O ATOM 694 CB TYR A 48 48.646 -24.124 -2.331 1.00 30.34 C ATOM 695 CG TYR A 48 49.898 -23.754 -3.146 1.00 40.51 C ATOM 696 CD1 TYR A 48 50.092 -24.215 -4.448 1.00 21.34 C ATOM 697 CD2 TYR A 48 50.879 -22.947 -2.604 1.00 63.43 C ATOM 698 CE1 TYR A 48 51.204 -23.879 -5.169 1.00 2.02 C ATOM 699 CE2 TYR A 48 52.002 -22.610 -3.330 1.00 12.51 C ATOM 700 CZ TYR A 48 52.156 -23.076 -4.609 1.00 2.34 C ATOM 701 OH TYR A 48 53.273 -22.734 -5.333 1.00 72.12 O ATOM 0 H TYR A 48 47.374 -24.302 -5.089 1.00 21.32 H new ATOM 0 HA TYR A 48 46.502 -24.204 -2.334 1.00 72.11 H new ATOM 0 HB2 TYR A 48 48.637 -23.521 -1.423 1.00 30.34 H new ATOM 0 HB3 TYR A 48 48.734 -25.165 -2.021 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.346 -24.853 -4.898 1.00 21.34 H new ATOM 0 HD2 TYR A 48 50.765 -22.574 -1.597 1.00 63.43 H new ATOM 0 HE1 TYR A 48 51.329 -24.247 -6.177 1.00 2.02 H new ATOM 0 HE2 TYR A 48 52.760 -21.979 -2.890 1.00 12.51 H new ATOM 0 HH TYR A 48 53.851 -22.157 -4.791 1.00 72.12 H new ATOM 711 N THR A 49 46.605 -21.658 -2.612 1.00 4.35 N ATOM 712 CA THR A 49 46.281 -20.306 -2.963 1.00 1.34 C ATOM 713 C THR A 49 47.484 -19.386 -2.798 1.00 15.00 C ATOM 714 O THR A 49 48.546 -19.818 -2.340 1.00 52.25 O ATOM 715 CB THR A 49 45.102 -19.793 -2.098 1.00 51.02 C ATOM 716 OG1 THR A 49 45.409 -19.943 -0.697 1.00 64.22 O ATOM 717 CG2 THR A 49 43.827 -20.552 -2.403 1.00 61.52 C ATOM 0 H THR A 49 46.463 -21.883 -1.627 1.00 4.35 H new ATOM 0 HA THR A 49 45.987 -20.297 -4.013 1.00 1.34 H new ATOM 0 HB THR A 49 44.953 -18.740 -2.337 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.377 -20.892 -0.455 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.018 -20.169 -1.781 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.569 -20.422 -3.454 1.00 61.52 H new ATOM 0 HG23 THR A 49 43.975 -21.611 -2.194 1.00 61.52 H new ATOM 725 N MET A 50 47.286 -18.119 -3.154 1.00 21.14 N ATOM 726 CA MET A 50 48.291 -17.037 -3.040 1.00 1.43 C ATOM 727 C MET A 50 48.905 -17.047 -1.634 1.00 72.53 C ATOM 728 O MET A 50 50.114 -17.106 -1.473 1.00 74.21 O ATOM 729 CB MET A 50 47.570 -15.689 -3.288 1.00 22.31 C ATOM 730 CG MET A 50 48.397 -14.389 -3.220 1.00 4.50 C ATOM 731 SD MET A 50 49.238 -13.926 -4.765 1.00 33.11 S ATOM 732 CE MET A 50 50.671 -14.982 -4.784 1.00 73.31 C ATOM 0 H MET A 50 46.400 -17.796 -3.542 1.00 21.14 H new ATOM 0 HA MET A 50 49.089 -17.180 -3.769 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.108 -15.737 -4.274 1.00 22.31 H new ATOM 0 HB3 MET A 50 46.762 -15.606 -2.561 1.00 22.31 H new ATOM 0 HG2 MET A 50 47.738 -13.573 -2.925 1.00 4.50 H new ATOM 0 HG3 MET A 50 49.146 -14.494 -2.435 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.407 -14.584 -5.482 1.00 73.31 H new ATOM 0 HE2 MET A 50 51.104 -15.025 -3.785 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.380 -15.985 -5.097 1.00 73.31 H new ATOM 742 N LYS A 51 48.047 -17.069 -0.639 1.00 14.32 N ATOM 743 CA LYS A 51 48.448 -17.048 0.775 1.00 64.44 C ATOM 744 C LYS A 51 49.188 -18.301 1.190 1.00 30.11 C ATOM 745 O LYS A 51 50.038 -18.266 2.069 1.00 14.04 O ATOM 746 CB LYS A 51 47.226 -16.904 1.628 1.00 41.10 C ATOM 747 CG LYS A 51 46.557 -15.565 1.490 1.00 73.21 C ATOM 748 CD LYS A 51 45.342 -15.463 2.377 1.00 42.42 C ATOM 749 CE LYS A 51 44.700 -14.104 2.263 1.00 70.32 C ATOM 750 NZ LYS A 51 43.503 -13.995 3.110 1.00 25.31 N ATOM 0 H LYS A 51 47.037 -17.102 -0.776 1.00 14.32 H new ATOM 0 HA LYS A 51 49.126 -16.205 0.908 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.514 -17.686 1.365 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.500 -17.059 2.672 1.00 41.10 H new ATOM 0 HG2 LYS A 51 47.264 -14.775 1.746 1.00 73.21 H new ATOM 0 HG3 LYS A 51 46.266 -15.407 0.452 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.621 -16.233 2.102 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.627 -15.648 3.413 1.00 42.42 H new ATOM 0 HE2 LYS A 51 45.419 -13.337 2.549 1.00 70.32 H new ATOM 0 HE3 LYS A 51 44.429 -13.916 1.224 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 43.511 -13.081 3.606 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 42.651 -14.060 2.517 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 43.500 -14.767 3.807 1.00 25.31 H new ATOM 764 N GLU A 52 48.865 -19.388 0.569 1.00 55.54 N ATOM 765 CA GLU A 52 49.501 -20.643 0.885 1.00 75.23 C ATOM 766 C GLU A 52 50.900 -20.693 0.309 1.00 14.34 C ATOM 767 O GLU A 52 51.769 -21.401 0.823 1.00 34.14 O ATOM 768 CB GLU A 52 48.647 -21.805 0.445 1.00 51.14 C ATOM 769 CG GLU A 52 47.340 -21.889 1.211 1.00 60.21 C ATOM 770 CD GLU A 52 46.414 -22.919 0.663 1.00 40.45 C ATOM 771 OE1 GLU A 52 45.682 -22.603 -0.286 1.00 4.25 O ATOM 772 OE2 GLU A 52 46.385 -24.060 1.171 1.00 34.40 O ATOM 0 H GLU A 52 48.160 -19.441 -0.167 1.00 55.54 H new ATOM 0 HA GLU A 52 49.602 -20.724 1.967 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.435 -21.713 -0.620 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.204 -22.732 0.580 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.551 -22.116 2.256 1.00 60.21 H new ATOM 0 HG3 GLU A 52 46.848 -20.916 1.189 1.00 60.21 H new ATOM 779 N VAL A 53 51.135 -19.904 -0.731 1.00 43.32 N ATOM 780 CA VAL A 53 52.473 -19.760 -1.275 1.00 51.12 C ATOM 781 C VAL A 53 53.305 -19.089 -0.215 1.00 21.10 C ATOM 782 O VAL A 53 54.356 -19.556 0.097 1.00 11.23 O ATOM 783 CB VAL A 53 52.523 -18.930 -2.576 1.00 30.31 C ATOM 784 CG1 VAL A 53 53.861 -19.101 -3.247 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.399 -19.296 -3.522 1.00 10.42 C ATOM 0 H VAL A 53 50.419 -19.358 -1.210 1.00 43.32 H new ATOM 0 HA VAL A 53 52.849 -20.748 -1.539 1.00 51.12 H new ATOM 0 HB VAL A 53 52.390 -17.882 -2.309 1.00 30.31 H new ATOM 0 HG11 VAL A 53 53.886 -18.512 -4.164 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.650 -18.762 -2.576 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.016 -20.153 -3.488 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.471 -18.689 -4.425 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.475 -20.351 -3.787 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.441 -19.112 -3.037 1.00 10.42 H new ATOM 795 N LEU A 54 52.784 -18.012 0.375 1.00 70.30 N ATOM 796 CA LEU A 54 53.407 -17.372 1.526 1.00 2.43 C ATOM 797 C LEU A 54 53.816 -18.392 2.587 1.00 14.03 C ATOM 798 O LEU A 54 54.920 -18.330 3.120 1.00 21.52 O ATOM 799 CB LEU A 54 52.456 -16.362 2.153 1.00 11.33 C ATOM 800 CG LEU A 54 52.283 -15.028 1.438 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.753 -15.137 0.029 1.00 70.35 C ATOM 802 CD2 LEU A 54 51.492 -14.064 2.278 1.00 72.44 C ATOM 0 H LEU A 54 51.921 -17.563 0.067 1.00 70.30 H new ATOM 0 HA LEU A 54 54.302 -16.866 1.165 1.00 2.43 H new ATOM 0 HB2 LEU A 54 51.475 -16.829 2.237 1.00 11.33 H new ATOM 0 HB3 LEU A 54 52.800 -16.159 3.167 1.00 11.33 H new ATOM 0 HG LEU A 54 53.288 -14.624 1.314 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.661 -14.141 -0.403 1.00 70.35 H new ATOM 0 HD12 LEU A 54 52.440 -15.732 -0.573 1.00 70.35 H new ATOM 0 HD13 LEU A 54 50.775 -15.617 0.044 1.00 70.35 H new ATOM 0 HD21 LEU A 54 51.383 -13.120 1.744 1.00 72.44 H new ATOM 0 HD22 LEU A 54 50.506 -14.482 2.480 1.00 72.44 H new ATOM 0 HD23 LEU A 54 52.012 -13.890 3.220 1.00 72.44 H new ATOM 814 N PHE A 55 52.952 -19.354 2.842 1.00 3.44 N ATOM 815 CA PHE A 55 53.246 -20.373 3.837 1.00 31.34 C ATOM 816 C PHE A 55 54.445 -21.217 3.427 1.00 34.30 C ATOM 817 O PHE A 55 55.495 -21.166 4.057 1.00 13.01 O ATOM 818 CB PHE A 55 52.058 -21.313 4.099 1.00 43.03 C ATOM 819 CG PHE A 55 50.828 -20.689 4.693 1.00 50.44 C ATOM 820 CD1 PHE A 55 50.914 -19.668 5.622 1.00 13.12 C ATOM 821 CD2 PHE A 55 49.577 -21.165 4.345 1.00 43.53 C ATOM 822 CE1 PHE A 55 49.776 -19.134 6.186 1.00 72.04 C ATOM 823 CE2 PHE A 55 48.439 -20.631 4.900 1.00 44.21 C ATOM 824 CZ PHE A 55 48.540 -19.616 5.824 1.00 42.14 C ATOM 0 H PHE A 55 52.048 -19.454 2.380 1.00 3.44 H new ATOM 0 HA PHE A 55 53.466 -19.828 4.755 1.00 31.34 H new ATOM 0 HB2 PHE A 55 51.780 -21.783 3.156 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.393 -22.108 4.765 1.00 43.03 H new ATOM 0 HD1 PHE A 55 51.883 -19.286 5.908 1.00 13.12 H new ATOM 0 HD2 PHE A 55 49.493 -21.968 3.627 1.00 43.53 H new ATOM 0 HE1 PHE A 55 49.855 -18.338 6.912 1.00 72.04 H new ATOM 0 HE2 PHE A 55 47.468 -21.007 4.612 1.00 44.21 H new ATOM 0 HZ PHE A 55 47.647 -19.198 6.265 1.00 42.14 H new ATOM 834 N TYR A 56 54.294 -21.938 2.348 1.00 63.30 N ATOM 835 CA TYR A 56 55.285 -22.912 1.929 1.00 1.22 C ATOM 836 C TYR A 56 56.521 -22.290 1.297 1.00 62.54 C ATOM 837 O TYR A 56 57.633 -22.776 1.505 1.00 21.03 O ATOM 838 CB TYR A 56 54.669 -23.927 0.988 1.00 51.34 C ATOM 839 CG TYR A 56 53.556 -24.741 1.604 1.00 64.03 C ATOM 840 CD1 TYR A 56 53.822 -25.902 2.310 1.00 1.33 C ATOM 841 CD2 TYR A 56 52.240 -24.340 1.481 1.00 33.42 C ATOM 842 CE1 TYR A 56 52.799 -26.637 2.875 1.00 50.53 C ATOM 843 CE2 TYR A 56 51.218 -25.060 2.037 1.00 32.12 C ATOM 844 CZ TYR A 56 51.496 -26.209 2.731 1.00 61.21 C ATOM 845 OH TYR A 56 50.469 -26.928 3.299 1.00 44.45 O ATOM 0 H TYR A 56 53.485 -21.872 1.731 1.00 63.30 H new ATOM 0 HA TYR A 56 55.622 -23.410 2.838 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.282 -23.407 0.112 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.449 -24.603 0.639 1.00 51.34 H new ATOM 0 HD1 TYR A 56 54.843 -26.237 2.420 1.00 1.33 H new ATOM 0 HD2 TYR A 56 52.012 -23.437 0.933 1.00 33.42 H new ATOM 0 HE1 TYR A 56 53.017 -27.540 3.425 1.00 50.53 H new ATOM 0 HE2 TYR A 56 50.197 -24.725 1.930 1.00 32.12 H new ATOM 0 HH TYR A 56 49.615 -26.489 3.104 1.00 44.45 H new ATOM 855 N LEU A 57 56.344 -21.211 0.553 1.00 33.41 N ATOM 856 CA LEU A 57 57.464 -20.580 -0.110 1.00 40.31 C ATOM 857 C LEU A 57 58.368 -19.972 0.957 1.00 40.54 C ATOM 858 O LEU A 57 59.598 -20.064 0.885 1.00 5.14 O ATOM 859 CB LEU A 57 56.986 -19.536 -1.167 1.00 53.03 C ATOM 860 CG LEU A 57 57.946 -19.210 -2.338 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.270 -18.335 -3.374 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.206 -18.539 -1.885 1.00 3.30 C ATOM 0 H LEU A 57 55.443 -20.760 0.396 1.00 33.41 H new ATOM 0 HA LEU A 57 58.035 -21.319 -0.673 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.048 -19.893 -1.591 1.00 53.03 H new ATOM 0 HB3 LEU A 57 56.766 -18.605 -0.644 1.00 53.03 H new ATOM 0 HG LEU A 57 58.211 -20.171 -2.780 1.00 24.54 H new ATOM 0 HD11 LEU A 57 57.969 -18.123 -4.183 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.398 -18.852 -3.774 1.00 53.32 H new ATOM 0 HD13 LEU A 57 56.956 -17.399 -2.911 1.00 53.32 H new ATOM 0 HD21 LEU A 57 59.840 -18.335 -2.748 1.00 3.30 H new ATOM 0 HD22 LEU A 57 58.960 -17.602 -1.386 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.737 -19.191 -1.191 1.00 3.30 H new ATOM 874 N GLY A 58 57.732 -19.449 1.994 1.00 34.05 N ATOM 875 CA GLY A 58 58.448 -18.856 3.101 1.00 74.30 C ATOM 876 C GLY A 58 59.272 -19.864 3.845 1.00 10.41 C ATOM 877 O GLY A 58 60.382 -19.549 4.290 1.00 32.52 O ATOM 0 H GLY A 58 56.717 -19.426 2.087 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.096 -18.062 2.729 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.737 -18.393 3.786 1.00 74.30 H new ATOM 881 N GLN A 59 58.746 -21.096 3.944 1.00 63.23 N ATOM 882 CA GLN A 59 59.440 -22.190 4.612 1.00 64.13 C ATOM 883 C GLN A 59 60.790 -22.385 3.962 1.00 12.12 C ATOM 884 O GLN A 59 61.817 -22.364 4.626 1.00 60.00 O ATOM 885 CB GLN A 59 58.665 -23.508 4.469 1.00 61.45 C ATOM 886 CG GLN A 59 57.234 -23.480 4.949 1.00 71.21 C ATOM 887 CD GLN A 59 57.096 -23.239 6.422 1.00 24.51 C ATOM 888 OE1 GLN A 59 57.940 -23.640 7.218 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.057 -22.560 6.792 1.00 73.55 N ATOM 0 H GLN A 59 57.835 -21.352 3.564 1.00 63.23 H new ATOM 0 HA GLN A 59 59.534 -21.935 5.668 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.671 -23.800 3.419 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.198 -24.284 5.019 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.695 -22.701 4.410 1.00 71.21 H new ATOM 0 HG3 GLN A 59 56.758 -24.428 4.699 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.379 -22.246 6.097 1.00 73.55 H new ATOM 0 HE22 GLN A 59 55.916 -22.340 7.778 1.00 73.55 H new ATOM 898 N TYR A 60 60.769 -22.497 2.639 1.00 52.35 N ATOM 899 CA TYR A 60 61.953 -22.794 1.859 1.00 12.25 C ATOM 900 C TYR A 60 63.016 -21.706 1.971 1.00 54.12 C ATOM 901 O TYR A 60 64.199 -22.008 2.166 1.00 53.15 O ATOM 902 CB TYR A 60 61.595 -23.041 0.392 1.00 33.44 C ATOM 903 CG TYR A 60 62.775 -23.488 -0.444 1.00 22.14 C ATOM 904 CD1 TYR A 60 63.257 -24.786 -0.345 1.00 3.25 C ATOM 905 CD2 TYR A 60 63.405 -22.620 -1.328 1.00 22.44 C ATOM 906 CE1 TYR A 60 64.332 -25.206 -1.095 1.00 41.23 C ATOM 907 CE2 TYR A 60 64.481 -23.036 -2.084 1.00 63.13 C ATOM 908 CZ TYR A 60 64.940 -24.328 -1.961 1.00 64.01 C ATOM 909 OH TYR A 60 66.020 -24.743 -2.703 1.00 62.05 O ATOM 0 H TYR A 60 59.924 -22.383 2.080 1.00 52.35 H new ATOM 0 HA TYR A 60 62.380 -23.706 2.277 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.813 -23.798 0.338 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.183 -22.126 -0.033 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.780 -25.479 0.333 1.00 3.25 H new ATOM 0 HD2 TYR A 60 63.047 -21.606 -1.424 1.00 22.44 H new ATOM 0 HE1 TYR A 60 64.696 -26.219 -1.004 1.00 41.23 H new ATOM 0 HE2 TYR A 60 64.961 -22.352 -2.769 1.00 63.13 H new ATOM 0 HH TYR A 60 66.333 -24.005 -3.266 1.00 62.05 H new ATOM 919 N ILE A 61 62.601 -20.456 1.902 1.00 22.33 N ATOM 920 CA ILE A 61 63.551 -19.344 1.923 1.00 54.32 C ATOM 921 C ILE A 61 64.192 -19.281 3.290 1.00 22.41 C ATOM 922 O ILE A 61 65.404 -19.075 3.427 1.00 45.34 O ATOM 923 CB ILE A 61 62.875 -17.968 1.677 1.00 71.30 C ATOM 924 CG1 ILE A 61 61.969 -17.996 0.461 1.00 3.12 C ATOM 925 CG2 ILE A 61 63.944 -16.880 1.468 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.257 -16.677 0.208 1.00 12.42 C ATOM 0 H ILE A 61 61.622 -20.179 1.831 1.00 22.33 H new ATOM 0 HA ILE A 61 64.271 -19.527 1.125 1.00 54.32 H new ATOM 0 HB ILE A 61 62.273 -17.744 2.558 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.560 -18.256 -0.417 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.226 -18.783 0.589 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.457 -15.920 1.296 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.574 -16.814 2.355 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.558 -17.135 0.604 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.626 -16.768 -0.676 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.639 -16.426 1.070 1.00 12.42 H new ATOM 0 HD13 ILE A 61 61.994 -15.890 0.048 1.00 12.42 H new ATOM 938 N MET A 62 63.381 -19.504 4.292 1.00 72.44 N ATOM 939 CA MET A 62 63.813 -19.389 5.649 1.00 41.23 C ATOM 940 C MET A 62 64.689 -20.559 6.070 1.00 61.21 C ATOM 941 O MET A 62 65.745 -20.360 6.642 1.00 12.42 O ATOM 942 CB MET A 62 62.625 -19.277 6.573 1.00 32.32 C ATOM 943 CG MET A 62 62.980 -19.024 8.027 1.00 13.52 C ATOM 944 SD MET A 62 61.528 -18.944 9.087 1.00 44.31 S ATOM 945 CE MET A 62 62.297 -18.708 10.687 1.00 63.31 C ATOM 0 H MET A 62 62.402 -19.770 4.183 1.00 72.44 H new ATOM 0 HA MET A 62 64.414 -18.482 5.720 1.00 41.23 H new ATOM 0 HB2 MET A 62 61.983 -18.468 6.223 1.00 32.32 H new ATOM 0 HB3 MET A 62 62.043 -20.196 6.509 1.00 32.32 H new ATOM 0 HG2 MET A 62 63.640 -19.816 8.380 1.00 13.52 H new ATOM 0 HG3 MET A 62 63.535 -18.089 8.105 1.00 13.52 H new ATOM 0 HE1 MET A 62 61.526 -18.639 11.455 1.00 63.31 H new ATOM 0 HE2 MET A 62 62.951 -19.552 10.904 1.00 63.31 H new ATOM 0 HE3 MET A 62 62.882 -17.789 10.677 1.00 63.31 H new ATOM 955 N THR A 63 64.262 -21.762 5.743 1.00 24.30 N ATOM 956 CA THR A 63 64.946 -22.983 6.182 1.00 13.21 C ATOM 957 C THR A 63 66.327 -23.135 5.511 1.00 64.20 C ATOM 958 O THR A 63 67.252 -23.721 6.082 1.00 74.44 O ATOM 959 CB THR A 63 64.054 -24.258 5.933 1.00 32.20 C ATOM 960 OG1 THR A 63 64.589 -25.416 6.608 1.00 73.21 O ATOM 961 CG2 THR A 63 63.926 -24.582 4.445 1.00 71.34 C ATOM 0 H THR A 63 63.436 -21.931 5.169 1.00 24.30 H new ATOM 0 HA THR A 63 65.111 -22.893 7.256 1.00 13.21 H new ATOM 0 HB THR A 63 63.069 -24.021 6.335 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.013 -26.190 6.436 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.303 -25.468 4.318 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.468 -23.739 3.927 1.00 71.34 H new ATOM 0 HG23 THR A 63 64.915 -24.771 4.027 1.00 71.34 H new ATOM 969 N LYS A 64 66.465 -22.585 4.323 1.00 74.50 N ATOM 970 CA LYS A 64 67.714 -22.670 3.589 1.00 35.22 C ATOM 971 C LYS A 64 68.519 -21.428 3.825 1.00 24.12 C ATOM 972 O LYS A 64 69.690 -21.356 3.462 1.00 50.03 O ATOM 973 CB LYS A 64 67.446 -22.823 2.111 1.00 41.22 C ATOM 974 CG LYS A 64 66.670 -24.061 1.739 1.00 22.42 C ATOM 975 CD LYS A 64 67.451 -25.348 2.004 1.00 13.51 C ATOM 976 CE LYS A 64 66.654 -26.576 1.576 1.00 12.10 C ATOM 977 NZ LYS A 64 67.390 -27.834 1.822 1.00 42.24 N ATOM 0 H LYS A 64 65.726 -22.072 3.842 1.00 74.50 H new ATOM 0 HA LYS A 64 68.269 -23.541 3.939 1.00 35.22 H new ATOM 0 HB2 LYS A 64 66.898 -21.948 1.762 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.399 -22.834 1.582 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.738 -24.084 2.303 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.403 -24.014 0.683 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.398 -25.320 1.464 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.691 -25.419 3.065 1.00 13.51 H new ATOM 0 HE2 LYS A 64 65.708 -26.599 2.117 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.414 -26.499 0.516 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 66.810 -28.641 1.516 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 68.281 -27.825 1.286 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 67.597 -27.922 2.837 1.00 42.24 H new ATOM 991 N ARG A 65 67.856 -20.450 4.420 1.00 62.41 N ATOM 992 CA ARG A 65 68.448 -19.154 4.770 1.00 10.24 C ATOM 993 C ARG A 65 68.863 -18.429 3.496 1.00 55.32 C ATOM 994 O ARG A 65 70.011 -18.016 3.340 1.00 33.21 O ATOM 995 CB ARG A 65 69.674 -19.308 5.702 1.00 10.13 C ATOM 996 CG ARG A 65 69.458 -20.084 6.995 1.00 12.01 C ATOM 997 CD ARG A 65 68.461 -19.431 7.934 1.00 0.21 C ATOM 998 NE ARG A 65 68.353 -20.197 9.184 1.00 35.32 N ATOM 999 CZ ARG A 65 67.492 -19.967 10.183 1.00 62.31 C ATOM 1000 NH1 ARG A 65 66.666 -18.912 10.152 1.00 53.35 N ATOM 1001 NH2 ARG A 65 67.500 -20.757 11.241 1.00 23.34 N ATOM 0 H ARG A 65 66.873 -20.529 4.681 1.00 62.41 H new ATOM 0 HA ARG A 65 67.696 -18.577 5.308 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.469 -19.798 5.140 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.033 -18.311 5.959 1.00 10.13 H new ATOM 0 HG2 ARG A 65 69.112 -21.089 6.753 1.00 12.01 H new ATOM 0 HG3 ARG A 65 70.413 -20.191 7.509 1.00 12.01 H new ATOM 0 HD2 ARG A 65 68.773 -18.410 8.152 1.00 0.21 H new ATOM 0 HD3 ARG A 65 67.485 -19.370 7.452 1.00 0.21 H new ATOM 0 HE ARG A 65 68.996 -20.980 9.302 1.00 35.32 H new ATOM 0 HH11 ARG A 65 66.688 -18.270 9.359 1.00 53.35 H new ATOM 0 HH12 ARG A 65 66.016 -18.751 10.921 1.00 53.35 H new ATOM 0 HH21 ARG A 65 68.158 -21.534 11.292 1.00 23.34 H new ATOM 0 HH22 ARG A 65 66.848 -20.590 12.007 1.00 23.34 H new ATOM 1015 N LEU A 66 67.923 -18.264 2.596 1.00 53.51 N ATOM 1016 CA LEU A 66 68.193 -17.626 1.316 1.00 71.15 C ATOM 1017 C LEU A 66 68.038 -16.109 1.418 1.00 32.04 C ATOM 1018 O LEU A 66 68.088 -15.396 0.420 1.00 73.22 O ATOM 1019 CB LEU A 66 67.260 -18.178 0.230 1.00 33.23 C ATOM 1020 CG LEU A 66 67.314 -19.686 -0.020 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.332 -20.073 -1.109 1.00 34.12 C ATOM 1022 CD2 LEU A 66 68.719 -20.129 -0.392 1.00 42.44 C ATOM 0 H LEU A 66 66.956 -18.563 2.722 1.00 53.51 H new ATOM 0 HA LEU A 66 69.224 -17.850 1.041 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.236 -17.913 0.494 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.489 -17.669 -0.706 1.00 33.23 H new ATOM 0 HG LEU A 66 67.035 -20.193 0.903 1.00 74.22 H new ATOM 0 HD11 LEU A 66 66.381 -21.149 -1.277 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.322 -19.799 -0.803 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.586 -19.550 -2.031 1.00 34.12 H new ATOM 0 HD21 LEU A 66 68.728 -21.205 -0.564 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.035 -19.614 -1.299 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.404 -19.886 0.420 1.00 42.44 H new ATOM 1034 N TYR A 67 67.879 -15.630 2.621 1.00 50.33 N ATOM 1035 CA TYR A 67 67.692 -14.222 2.887 1.00 63.44 C ATOM 1036 C TYR A 67 68.922 -13.670 3.595 1.00 41.21 C ATOM 1037 O TYR A 67 69.854 -14.429 3.883 1.00 0.14 O ATOM 1038 CB TYR A 67 66.415 -13.989 3.725 1.00 32.51 C ATOM 1039 CG TYR A 67 66.440 -14.671 5.077 1.00 55.05 C ATOM 1040 CD1 TYR A 67 66.050 -15.995 5.222 1.00 24.21 C ATOM 1041 CD2 TYR A 67 66.879 -13.996 6.204 1.00 64.31 C ATOM 1042 CE1 TYR A 67 66.103 -16.614 6.449 1.00 3.00 C ATOM 1043 CE2 TYR A 67 66.927 -14.611 7.430 1.00 44.51 C ATOM 1044 CZ TYR A 67 66.537 -15.921 7.543 1.00 62.24 C ATOM 1045 OH TYR A 67 66.602 -16.552 8.753 1.00 52.04 O ATOM 0 H TYR A 67 67.875 -16.211 3.459 1.00 50.33 H new ATOM 0 HA TYR A 67 67.565 -13.693 1.942 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.278 -12.918 3.871 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.552 -14.347 3.163 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.701 -16.546 4.361 1.00 24.21 H new ATOM 0 HD2 TYR A 67 67.190 -12.965 6.116 1.00 64.31 H new ATOM 0 HE1 TYR A 67 65.802 -17.647 6.547 1.00 3.00 H new ATOM 0 HE2 TYR A 67 67.269 -14.068 8.299 1.00 44.51 H new ATOM 0 HH TYR A 67 66.931 -15.926 9.431 1.00 52.04 H new ATOM 1055 N ASP A 68 68.944 -12.380 3.848 1.00 63.44 N ATOM 1056 CA ASP A 68 70.050 -11.767 4.573 1.00 21.32 C ATOM 1057 C ASP A 68 69.777 -11.926 6.037 1.00 52.35 C ATOM 1058 O ASP A 68 68.682 -11.630 6.493 1.00 13.34 O ATOM 1059 CB ASP A 68 70.154 -10.283 4.270 1.00 1.00 C ATOM 1060 CG ASP A 68 71.440 -9.655 4.788 1.00 51.10 C ATOM 1061 OD1 ASP A 68 71.600 -9.492 5.996 1.00 24.12 O ATOM 1062 OD2 ASP A 68 72.315 -9.302 3.981 1.00 62.33 O ATOM 0 H ASP A 68 68.211 -11.730 3.565 1.00 63.44 H new ATOM 0 HA ASP A 68 70.981 -12.248 4.274 1.00 21.32 H new ATOM 0 HB2 ASP A 68 70.093 -10.133 3.192 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.301 -9.768 4.712 1.00 1.00 H new ATOM 1067 N GLU A 69 70.746 -12.362 6.781 1.00 63.22 N ATOM 1068 CA GLU A 69 70.513 -12.622 8.189 1.00 62.14 C ATOM 1069 C GLU A 69 70.442 -11.330 9.020 1.00 64.00 C ATOM 1070 O GLU A 69 69.997 -11.349 10.172 1.00 30.11 O ATOM 1071 CB GLU A 69 71.557 -13.570 8.763 1.00 42.41 C ATOM 1072 CG GLU A 69 72.959 -13.007 8.804 1.00 61.33 C ATOM 1073 CD GLU A 69 73.915 -13.934 9.481 1.00 74.11 C ATOM 1074 OE1 GLU A 69 73.700 -14.261 10.662 1.00 24.54 O ATOM 1075 OE2 GLU A 69 74.915 -14.322 8.866 1.00 52.31 O ATOM 0 H GLU A 69 71.695 -12.546 6.455 1.00 63.22 H new ATOM 0 HA GLU A 69 69.538 -13.105 8.254 1.00 62.14 H new ATOM 0 HB2 GLU A 69 71.261 -13.847 9.775 1.00 42.41 H new ATOM 0 HB3 GLU A 69 71.564 -14.485 8.171 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.301 -12.812 7.788 1.00 61.33 H new ATOM 0 HG3 GLU A 69 72.950 -12.050 9.326 1.00 61.33 H new ATOM 1082 N LYS A 70 70.883 -10.225 8.458 1.00 21.31 N ATOM 1083 CA LYS A 70 70.867 -8.968 9.173 1.00 43.13 C ATOM 1084 C LYS A 70 69.781 -8.087 8.590 1.00 3.23 C ATOM 1085 O LYS A 70 69.160 -7.292 9.287 1.00 14.52 O ATOM 1086 CB LYS A 70 72.177 -8.260 8.937 1.00 51.11 C ATOM 1087 CG LYS A 70 73.413 -9.120 9.080 1.00 5.05 C ATOM 1088 CD LYS A 70 73.728 -9.466 10.517 1.00 31.00 C ATOM 1089 CE LYS A 70 75.048 -10.225 10.621 1.00 65.43 C ATOM 1090 NZ LYS A 70 75.475 -10.416 12.025 1.00 33.03 N ATOM 0 H LYS A 70 71.256 -10.172 7.510 1.00 21.31 H new ATOM 0 HA LYS A 70 70.700 -9.154 10.234 1.00 43.13 H new ATOM 0 HB2 LYS A 70 72.165 -7.834 7.934 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.252 -7.427 9.636 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.276 -10.040 8.512 1.00 5.05 H new ATOM 0 HG3 LYS A 70 74.264 -8.599 8.642 1.00 5.05 H new ATOM 0 HD2 LYS A 70 73.781 -8.554 11.111 1.00 31.00 H new ATOM 0 HD3 LYS A 70 72.923 -10.071 10.934 1.00 31.00 H new ATOM 0 HE2 LYS A 70 74.945 -11.197 10.139 1.00 65.43 H new ATOM 0 HE3 LYS A 70 75.821 -9.681 10.079 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 76.376 -10.936 12.046 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 75.600 -9.489 12.479 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 74.750 -10.958 12.538 1.00 33.03 H new ATOM 1104 N GLN A 71 69.550 -8.256 7.314 1.00 50.03 N ATOM 1105 CA GLN A 71 68.531 -7.510 6.601 1.00 5.34 C ATOM 1106 C GLN A 71 67.361 -8.436 6.317 1.00 62.15 C ATOM 1107 O GLN A 71 67.320 -9.095 5.288 1.00 64.52 O ATOM 1108 CB GLN A 71 69.079 -6.952 5.278 1.00 3.32 C ATOM 1109 CG GLN A 71 70.312 -6.072 5.394 1.00 21.51 C ATOM 1110 CD GLN A 71 70.884 -5.712 4.029 1.00 43.20 C ATOM 1111 OE1 GLN A 71 70.532 -4.694 3.426 1.00 23.33 O ATOM 1112 NE2 GLN A 71 71.734 -6.556 3.508 1.00 3.50 N ATOM 0 H GLN A 71 70.063 -8.918 6.732 1.00 50.03 H new ATOM 0 HA GLN A 71 68.212 -6.669 7.216 1.00 5.34 H new ATOM 0 HB2 GLN A 71 69.314 -7.790 4.621 1.00 3.32 H new ATOM 0 HB3 GLN A 71 68.290 -6.378 4.793 1.00 3.32 H new ATOM 0 HG2 GLN A 71 70.057 -5.159 5.933 1.00 21.51 H new ATOM 0 HG3 GLN A 71 71.072 -6.587 5.981 1.00 21.51 H new ATOM 0 HE21 GLN A 71 72.008 -7.390 4.028 1.00 3.50 H new ATOM 0 HE22 GLN A 71 72.123 -6.381 2.582 1.00 3.50 H new ATOM 1121 N GLN A 72 66.433 -8.484 7.235 1.00 33.03 N ATOM 1122 CA GLN A 72 65.307 -9.415 7.178 1.00 64.41 C ATOM 1123 C GLN A 72 64.410 -9.233 5.935 1.00 73.12 C ATOM 1124 O GLN A 72 63.878 -10.205 5.414 1.00 1.14 O ATOM 1125 CB GLN A 72 64.490 -9.325 8.466 1.00 2.34 C ATOM 1126 CG GLN A 72 65.286 -9.685 9.725 1.00 64.34 C ATOM 1127 CD GLN A 72 65.674 -11.153 9.812 1.00 20.23 C ATOM 1128 OE1 GLN A 72 64.960 -12.039 9.332 1.00 21.44 O ATOM 1129 NE2 GLN A 72 66.792 -11.426 10.426 1.00 52.04 N ATOM 0 H GLN A 72 66.425 -7.878 8.056 1.00 33.03 H new ATOM 0 HA GLN A 72 65.732 -10.414 7.084 1.00 64.41 H new ATOM 0 HB2 GLN A 72 64.101 -8.312 8.570 1.00 2.34 H new ATOM 0 HB3 GLN A 72 63.630 -9.990 8.388 1.00 2.34 H new ATOM 0 HG2 GLN A 72 66.191 -9.078 9.756 1.00 64.34 H new ATOM 0 HG3 GLN A 72 64.696 -9.423 10.603 1.00 64.34 H new ATOM 0 HE21 GLN A 72 67.360 -10.671 10.812 1.00 52.04 H new ATOM 0 HE22 GLN A 72 67.099 -12.394 10.520 1.00 52.04 H new ATOM 1138 N HIS A 73 64.228 -7.995 5.456 1.00 20.12 N ATOM 1139 CA HIS A 73 63.399 -7.800 4.261 1.00 23.35 C ATOM 1140 C HIS A 73 64.188 -7.982 2.970 1.00 72.14 C ATOM 1141 O HIS A 73 63.642 -7.835 1.869 1.00 10.11 O ATOM 1142 CB HIS A 73 62.624 -6.450 4.261 1.00 41.31 C ATOM 1143 CG HIS A 73 63.434 -5.178 4.170 1.00 54.10 C ATOM 1144 ND1 HIS A 73 63.571 -4.298 5.216 1.00 32.14 N ATOM 1145 CD2 HIS A 73 64.082 -4.609 3.122 1.00 65.33 C ATOM 1146 CE1 HIS A 73 64.260 -3.251 4.835 1.00 3.33 C ATOM 1147 NE2 HIS A 73 64.585 -3.410 3.561 1.00 73.14 N ATOM 0 H HIS A 73 64.625 -7.146 5.858 1.00 20.12 H new ATOM 0 HA HIS A 73 62.648 -8.589 4.303 1.00 23.35 H new ATOM 0 HB2 HIS A 73 61.925 -6.464 3.424 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.029 -6.405 5.173 1.00 41.31 H new ATOM 0 HD2 HIS A 73 64.183 -5.022 2.129 1.00 65.33 H new ATOM 0 HE1 HIS A 73 64.518 -2.404 5.453 1.00 3.33 H new ATOM 0 HE2 HIS A 73 65.121 -2.750 2.998 1.00 73.14 H new ATOM 1155 N ILE A 74 65.445 -8.314 3.110 1.00 50.14 N ATOM 1156 CA ILE A 74 66.322 -8.514 1.985 1.00 22.31 C ATOM 1157 C ILE A 74 66.573 -9.979 1.801 1.00 55.40 C ATOM 1158 O ILE A 74 67.082 -10.662 2.691 1.00 73.00 O ATOM 1159 CB ILE A 74 67.668 -7.749 2.142 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.439 -6.240 2.056 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.712 -8.198 1.108 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.890 -5.790 0.717 1.00 73.44 C ATOM 0 H ILE A 74 65.893 -8.454 4.016 1.00 50.14 H new ATOM 0 HA ILE A 74 65.829 -8.109 1.101 1.00 22.31 H new ATOM 0 HB ILE A 74 68.066 -7.990 3.128 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.748 -5.939 2.843 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.381 -5.726 2.246 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.635 -7.637 1.256 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.911 -9.263 1.230 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.332 -8.013 0.103 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.751 -4.709 0.725 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.591 -6.060 -0.073 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.932 -6.277 0.534 1.00 73.44 H new ATOM 1174 N VAL A 75 66.201 -10.473 0.677 1.00 45.43 N ATOM 1175 CA VAL A 75 66.385 -11.840 0.397 1.00 24.42 C ATOM 1176 C VAL A 75 67.318 -11.951 -0.789 1.00 52.54 C ATOM 1177 O VAL A 75 67.258 -11.132 -1.687 1.00 42.31 O ATOM 1178 CB VAL A 75 65.044 -12.533 0.103 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.225 -14.020 0.012 1.00 1.24 C ATOM 1180 CG2 VAL A 75 64.013 -12.195 1.157 1.00 11.12 C ATOM 0 H VAL A 75 65.761 -9.937 -0.071 1.00 45.43 H new ATOM 0 HA VAL A 75 66.816 -12.340 1.264 1.00 24.42 H new ATOM 0 HB VAL A 75 64.683 -12.165 -0.857 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.265 -14.491 -0.196 1.00 1.24 H new ATOM 0 HG12 VAL A 75 65.925 -14.253 -0.790 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.617 -14.397 0.957 1.00 1.24 H new ATOM 0 HG21 VAL A 75 63.075 -12.699 0.923 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.369 -12.525 2.133 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.851 -11.117 1.175 1.00 11.12 H new ATOM 1190 N TYR A 76 68.187 -12.915 -0.802 1.00 5.33 N ATOM 1191 CA TYR A 76 69.103 -13.017 -1.894 1.00 2.23 C ATOM 1192 C TYR A 76 68.635 -14.027 -2.906 1.00 20.23 C ATOM 1193 O TYR A 76 68.178 -13.642 -3.976 1.00 22.13 O ATOM 1194 CB TYR A 76 70.526 -13.300 -1.400 1.00 71.42 C ATOM 1195 CG TYR A 76 71.104 -12.146 -0.628 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.545 -11.019 -1.297 1.00 72.11 C ATOM 1197 CD2 TYR A 76 71.183 -12.156 0.761 1.00 34.51 C ATOM 1198 CE1 TYR A 76 72.046 -9.938 -0.620 1.00 3.12 C ATOM 1199 CE2 TYR A 76 71.680 -11.072 1.434 1.00 53.13 C ATOM 1200 CZ TYR A 76 72.105 -9.967 0.742 1.00 44.23 C ATOM 1201 OH TYR A 76 72.607 -8.882 1.426 1.00 11.02 O ATOM 0 H TYR A 76 68.281 -13.631 -0.082 1.00 5.33 H new ATOM 0 HA TYR A 76 69.132 -12.053 -2.402 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.519 -14.189 -0.769 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.167 -13.520 -2.254 1.00 71.42 H new ATOM 0 HD1 TYR A 76 71.494 -10.990 -2.375 1.00 72.11 H new ATOM 0 HD2 TYR A 76 70.850 -13.024 1.312 1.00 34.51 H new ATOM 0 HE1 TYR A 76 72.392 -9.070 -1.161 1.00 3.12 H new ATOM 0 HE2 TYR A 76 71.737 -11.087 2.512 1.00 53.13 H new ATOM 0 HH TYR A 76 72.171 -8.816 2.301 1.00 11.02 H new ATOM 1211 N CYS A 77 68.671 -15.316 -2.536 1.00 54.53 N ATOM 1212 CA CYS A 77 68.266 -16.410 -3.440 1.00 52.14 C ATOM 1213 C CYS A 77 69.056 -16.347 -4.757 1.00 4.33 C ATOM 1214 O CYS A 77 68.579 -16.773 -5.802 1.00 62.20 O ATOM 1215 CB CYS A 77 66.760 -16.339 -3.723 1.00 61.41 C ATOM 1216 SG CYS A 77 65.741 -16.432 -2.252 1.00 54.33 S ATOM 0 H CYS A 77 68.977 -15.630 -1.615 1.00 54.53 H new ATOM 0 HA CYS A 77 68.487 -17.358 -2.949 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.542 -15.408 -4.246 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.487 -17.153 -4.394 1.00 61.41 H new ATOM 0 HG CYS A 77 65.402 -17.668 -2.037 1.00 54.33 H new ATOM 1222 N SER A 78 70.287 -15.878 -4.661 1.00 74.53 N ATOM 1223 CA SER A 78 71.154 -15.668 -5.802 1.00 1.24 C ATOM 1224 C SER A 78 71.549 -17.001 -6.464 1.00 20.30 C ATOM 1225 O SER A 78 71.862 -17.059 -7.662 1.00 21.43 O ATOM 1226 CB SER A 78 72.383 -14.903 -5.330 1.00 41.00 C ATOM 1227 OG SER A 78 71.987 -13.740 -4.594 1.00 62.31 O ATOM 0 H SER A 78 70.718 -15.628 -3.771 1.00 74.53 H new ATOM 0 HA SER A 78 70.626 -15.091 -6.561 1.00 1.24 H new ATOM 0 HB2 SER A 78 73.002 -15.545 -4.704 1.00 41.00 H new ATOM 0 HB3 SER A 78 72.990 -14.611 -6.187 1.00 41.00 H new ATOM 0 HG SER A 78 71.523 -13.117 -5.192 1.00 62.31 H new ATOM 1233 N ASN A 79 71.502 -18.063 -5.689 1.00 41.54 N ATOM 1234 CA ASN A 79 71.831 -19.392 -6.168 1.00 73.42 C ATOM 1235 C ASN A 79 70.565 -20.107 -6.667 1.00 0.00 C ATOM 1236 O ASN A 79 70.628 -21.196 -7.245 1.00 53.23 O ATOM 1237 CB ASN A 79 72.535 -20.180 -5.041 1.00 72.51 C ATOM 1238 CG ASN A 79 73.014 -21.556 -5.464 1.00 60.42 C ATOM 1239 OD1 ASN A 79 74.106 -21.711 -6.010 1.00 34.51 O ATOM 1240 ND2 ASN A 79 72.256 -22.562 -5.158 1.00 12.14 N ATOM 0 H ASN A 79 71.234 -18.031 -4.705 1.00 41.54 H new ATOM 0 HA ASN A 79 72.515 -19.324 -7.014 1.00 73.42 H new ATOM 0 HB2 ASN A 79 73.388 -19.602 -4.684 1.00 72.51 H new ATOM 0 HB3 ASN A 79 71.848 -20.287 -4.201 1.00 72.51 H new ATOM 0 HD21 ASN A 79 72.560 -23.512 -5.369 1.00 12.14 H new ATOM 0 HD22 ASN A 79 71.356 -22.403 -4.706 1.00 12.14 H new ATOM 1247 N ASP A 80 69.423 -19.465 -6.501 1.00 63.10 N ATOM 1248 CA ASP A 80 68.155 -20.059 -6.904 1.00 44.31 C ATOM 1249 C ASP A 80 67.497 -19.173 -7.977 1.00 54.24 C ATOM 1250 O ASP A 80 68.031 -18.118 -8.323 1.00 62.42 O ATOM 1251 CB ASP A 80 67.226 -20.232 -5.684 1.00 54.35 C ATOM 1252 CG ASP A 80 66.031 -21.132 -5.973 1.00 4.01 C ATOM 1253 OD1 ASP A 80 64.983 -20.624 -6.404 1.00 31.11 O ATOM 1254 OD2 ASP A 80 66.140 -22.364 -5.813 1.00 51.55 O ATOM 0 H ASP A 80 69.344 -18.534 -6.091 1.00 63.10 H new ATOM 0 HA ASP A 80 68.336 -21.048 -7.324 1.00 44.31 H new ATOM 0 HB2 ASP A 80 67.797 -20.650 -4.855 1.00 54.35 H new ATOM 0 HB3 ASP A 80 66.869 -19.253 -5.364 1.00 54.35 H new ATOM 1259 N LEU A 81 66.367 -19.586 -8.490 1.00 71.31 N ATOM 1260 CA LEU A 81 65.685 -18.874 -9.546 1.00 11.32 C ATOM 1261 C LEU A 81 64.664 -17.894 -8.920 1.00 12.11 C ATOM 1262 O LEU A 81 64.178 -16.993 -9.573 1.00 75.03 O ATOM 1263 CB LEU A 81 65.014 -19.917 -10.484 1.00 25.11 C ATOM 1264 CG LEU A 81 64.717 -19.519 -11.962 1.00 40.03 C ATOM 1265 CD1 LEU A 81 63.543 -18.589 -12.090 1.00 43.44 C ATOM 1266 CD2 LEU A 81 65.931 -18.872 -12.589 1.00 21.25 C ATOM 0 H LEU A 81 65.888 -20.433 -8.186 1.00 71.31 H new ATOM 0 HA LEU A 81 66.378 -18.280 -10.142 1.00 11.32 H new ATOM 0 HB2 LEU A 81 65.651 -20.802 -10.502 1.00 25.11 H new ATOM 0 HB3 LEU A 81 64.070 -20.213 -10.026 1.00 25.11 H new ATOM 0 HG LEU A 81 64.469 -20.443 -12.485 1.00 40.03 H new ATOM 0 HD11 LEU A 81 63.384 -18.347 -13.141 1.00 43.44 H new ATOM 0 HD12 LEU A 81 62.651 -19.071 -11.690 1.00 43.44 H new ATOM 0 HD13 LEU A 81 63.741 -17.674 -11.532 1.00 43.44 H new ATOM 0 HD21 LEU A 81 65.707 -18.600 -13.620 1.00 21.25 H new ATOM 0 HD22 LEU A 81 66.197 -17.976 -12.027 1.00 21.25 H new ATOM 0 HD23 LEU A 81 66.766 -19.572 -12.572 1.00 21.25 H new ATOM 1278 N LEU A 82 64.387 -18.091 -7.636 1.00 22.23 N ATOM 1279 CA LEU A 82 63.429 -17.279 -6.852 1.00 31.14 C ATOM 1280 C LEU A 82 63.721 -15.749 -7.030 1.00 51.53 C ATOM 1281 O LEU A 82 62.859 -14.960 -7.513 1.00 75.13 O ATOM 1282 CB LEU A 82 63.589 -17.689 -5.374 1.00 51.31 C ATOM 1283 CG LEU A 82 62.354 -17.654 -4.459 1.00 44.45 C ATOM 1284 CD1 LEU A 82 62.741 -18.102 -3.057 1.00 51.52 C ATOM 1285 CD2 LEU A 82 61.696 -16.283 -4.423 1.00 64.25 C ATOM 0 H LEU A 82 64.825 -18.832 -7.088 1.00 22.23 H new ATOM 0 HA LEU A 82 62.409 -17.455 -7.195 1.00 31.14 H new ATOM 0 HB2 LEU A 82 63.986 -18.704 -5.354 1.00 51.31 H new ATOM 0 HB3 LEU A 82 64.346 -17.042 -4.932 1.00 51.31 H new ATOM 0 HG LEU A 82 61.617 -18.343 -4.871 1.00 44.45 H new ATOM 0 HD11 LEU A 82 61.863 -18.076 -2.411 1.00 51.52 H new ATOM 0 HD12 LEU A 82 63.133 -19.118 -3.095 1.00 51.52 H new ATOM 0 HD13 LEU A 82 63.504 -17.433 -2.659 1.00 51.52 H new ATOM 0 HD21 LEU A 82 60.829 -16.313 -3.763 1.00 64.25 H new ATOM 0 HD22 LEU A 82 62.409 -15.547 -4.053 1.00 64.25 H new ATOM 0 HD23 LEU A 82 61.377 -16.006 -5.428 1.00 64.25 H new ATOM 1297 N GLY A 83 64.948 -15.351 -6.698 1.00 33.33 N ATOM 1298 CA GLY A 83 65.342 -13.959 -6.832 1.00 13.41 C ATOM 1299 C GLY A 83 65.317 -13.531 -8.278 1.00 23.02 C ATOM 1300 O GLY A 83 64.906 -12.395 -8.616 1.00 63.21 O ATOM 0 H GLY A 83 65.676 -15.969 -6.339 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.670 -13.329 -6.250 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.343 -13.819 -6.424 1.00 13.41 H new ATOM 1304 N ASP A 84 65.690 -14.462 -9.146 1.00 74.23 N ATOM 1305 CA ASP A 84 65.712 -14.208 -10.570 1.00 72.30 C ATOM 1306 C ASP A 84 64.348 -13.817 -11.046 1.00 60.45 C ATOM 1307 O ASP A 84 64.233 -12.873 -11.773 1.00 21.25 O ATOM 1308 CB ASP A 84 66.222 -15.396 -11.367 1.00 32.43 C ATOM 1309 CG ASP A 84 66.184 -15.128 -12.861 1.00 23.04 C ATOM 1310 OD1 ASP A 84 67.122 -14.488 -13.393 1.00 12.11 O ATOM 1311 OD2 ASP A 84 65.229 -15.545 -13.533 1.00 34.12 O ATOM 0 H ASP A 84 65.982 -15.403 -8.881 1.00 74.23 H new ATOM 0 HA ASP A 84 66.409 -13.387 -10.737 1.00 72.30 H new ATOM 0 HB2 ASP A 84 67.244 -15.626 -11.064 1.00 32.43 H new ATOM 0 HB3 ASP A 84 65.617 -16.274 -11.139 1.00 32.43 H new ATOM 1316 N LEU A 85 63.325 -14.536 -10.560 1.00 51.32 N ATOM 1317 CA LEU A 85 61.892 -14.289 -10.852 1.00 55.15 C ATOM 1318 C LEU A 85 61.463 -12.862 -10.564 1.00 45.10 C ATOM 1319 O LEU A 85 60.622 -12.308 -11.291 1.00 62.02 O ATOM 1320 CB LEU A 85 61.002 -15.236 -10.061 1.00 35.13 C ATOM 1321 CG LEU A 85 61.058 -16.695 -10.452 1.00 61.13 C ATOM 1322 CD1 LEU A 85 60.286 -17.537 -9.455 1.00 14.13 C ATOM 1323 CD2 LEU A 85 60.512 -16.875 -11.865 1.00 34.22 C ATOM 0 H LEU A 85 63.468 -15.329 -9.935 1.00 51.32 H new ATOM 0 HA LEU A 85 61.776 -14.467 -11.921 1.00 55.15 H new ATOM 0 HB2 LEU A 85 61.268 -15.154 -9.007 1.00 35.13 H new ATOM 0 HB3 LEU A 85 59.971 -14.896 -10.157 1.00 35.13 H new ATOM 0 HG LEU A 85 62.095 -17.030 -10.440 1.00 61.13 H new ATOM 0 HD11 LEU A 85 60.335 -18.585 -9.749 1.00 14.13 H new ATOM 0 HD12 LEU A 85 60.722 -17.418 -8.463 1.00 14.13 H new ATOM 0 HD13 LEU A 85 59.245 -17.214 -9.435 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.555 -17.929 -12.140 1.00 34.22 H new ATOM 0 HD22 LEU A 85 59.478 -16.533 -11.902 1.00 34.22 H new ATOM 0 HD23 LEU A 85 61.112 -16.292 -12.564 1.00 34.22 H new ATOM 1335 N PHE A 86 62.000 -12.283 -9.490 1.00 13.22 N ATOM 1336 CA PHE A 86 61.759 -10.841 -9.177 1.00 14.21 C ATOM 1337 C PHE A 86 62.353 -9.999 -10.305 1.00 25.43 C ATOM 1338 O PHE A 86 61.913 -8.885 -10.608 1.00 74.23 O ATOM 1339 CB PHE A 86 62.473 -10.490 -7.891 1.00 60.11 C ATOM 1340 CG PHE A 86 62.161 -9.102 -7.293 1.00 12.33 C ATOM 1341 CD1 PHE A 86 62.788 -7.953 -7.768 1.00 60.04 C ATOM 1342 CD2 PHE A 86 61.278 -8.964 -6.238 1.00 61.20 C ATOM 1343 CE1 PHE A 86 62.538 -6.717 -7.210 1.00 63.23 C ATOM 1344 CE2 PHE A 86 61.023 -7.729 -5.678 1.00 21.42 C ATOM 1345 CZ PHE A 86 61.654 -6.605 -6.165 1.00 2.54 C ATOM 0 H PHE A 86 62.598 -12.766 -8.820 1.00 13.22 H new ATOM 0 HA PHE A 86 60.690 -10.652 -9.075 1.00 14.21 H new ATOM 0 HB2 PHE A 86 62.228 -11.247 -7.146 1.00 60.11 H new ATOM 0 HB3 PHE A 86 63.547 -10.553 -8.068 1.00 60.11 H new ATOM 0 HD1 PHE A 86 63.484 -8.031 -8.590 1.00 60.04 H new ATOM 0 HD2 PHE A 86 60.779 -9.838 -5.846 1.00 61.20 H new ATOM 0 HE1 PHE A 86 63.036 -5.839 -7.594 1.00 63.23 H new ATOM 0 HE2 PHE A 86 60.327 -7.643 -4.856 1.00 21.42 H new ATOM 0 HZ PHE A 86 61.454 -5.639 -5.726 1.00 2.54 H new ATOM 1355 N GLY A 87 63.320 -10.579 -10.915 1.00 24.41 N ATOM 1356 CA GLY A 87 64.028 -9.999 -12.031 1.00 31.24 C ATOM 1357 C GLY A 87 65.327 -9.440 -11.596 1.00 3.13 C ATOM 1358 O GLY A 87 65.776 -8.416 -12.098 1.00 20.13 O ATOM 0 H GLY A 87 63.664 -11.503 -10.654 1.00 24.41 H new ATOM 0 HA2 GLY A 87 64.191 -10.757 -12.797 1.00 31.24 H new ATOM 0 HA3 GLY A 87 63.422 -9.214 -12.483 1.00 31.24 H new ATOM 1362 N VAL A 88 65.964 -10.146 -10.676 1.00 0.24 N ATOM 1363 CA VAL A 88 67.216 -9.673 -10.026 1.00 65.43 C ATOM 1364 C VAL A 88 68.030 -10.854 -9.477 1.00 62.04 C ATOM 1365 O VAL A 88 67.639 -11.996 -9.662 1.00 2.43 O ATOM 1366 CB VAL A 88 66.892 -8.727 -8.829 1.00 34.42 C ATOM 1367 CG1 VAL A 88 66.446 -7.347 -9.275 1.00 53.13 C ATOM 1368 CG2 VAL A 88 65.835 -9.348 -7.978 1.00 52.45 C ATOM 0 H VAL A 88 65.646 -11.058 -10.348 1.00 0.24 H new ATOM 0 HA VAL A 88 67.790 -9.142 -10.786 1.00 65.43 H new ATOM 0 HB VAL A 88 67.812 -8.596 -8.260 1.00 34.42 H new ATOM 0 HG11 VAL A 88 66.234 -6.733 -8.400 1.00 53.13 H new ATOM 0 HG12 VAL A 88 67.237 -6.881 -9.863 1.00 53.13 H new ATOM 0 HG13 VAL A 88 65.546 -7.434 -9.883 1.00 53.13 H new ATOM 0 HG21 VAL A 88 65.607 -8.688 -7.141 1.00 52.45 H new ATOM 0 HG22 VAL A 88 64.935 -9.504 -8.572 1.00 52.45 H new ATOM 0 HG23 VAL A 88 66.190 -10.306 -7.598 1.00 52.45 H new ATOM 1378 N PRO A 89 69.216 -10.610 -8.864 1.00 11.32 N ATOM 1379 CA PRO A 89 69.929 -11.639 -8.139 1.00 74.43 C ATOM 1380 C PRO A 89 69.590 -11.617 -6.628 1.00 61.01 C ATOM 1381 O PRO A 89 70.043 -12.470 -5.879 1.00 1.24 O ATOM 1382 CB PRO A 89 71.408 -11.289 -8.362 1.00 25.13 C ATOM 1383 CG PRO A 89 71.441 -9.872 -8.870 1.00 40.51 C ATOM 1384 CD PRO A 89 70.019 -9.379 -8.942 1.00 22.11 C ATOM 0 HA PRO A 89 69.666 -12.639 -8.484 1.00 74.43 H new ATOM 0 HB2 PRO A 89 71.973 -11.382 -7.434 1.00 25.13 H new ATOM 0 HB3 PRO A 89 71.863 -11.970 -9.081 1.00 25.13 H new ATOM 0 HG2 PRO A 89 72.032 -9.241 -8.206 1.00 40.51 H new ATOM 0 HG3 PRO A 89 71.911 -9.829 -9.852 1.00 40.51 H new ATOM 0 HD2 PRO A 89 69.789 -8.699 -8.122 1.00 22.11 H new ATOM 0 HD3 PRO A 89 69.830 -8.836 -9.868 1.00 22.11 H new ATOM 1392 N SER A 90 68.808 -10.623 -6.199 1.00 72.45 N ATOM 1393 CA SER A 90 68.384 -10.490 -4.797 1.00 0.12 C ATOM 1394 C SER A 90 67.128 -9.657 -4.716 1.00 72.25 C ATOM 1395 O SER A 90 67.053 -8.609 -5.348 1.00 42.34 O ATOM 1396 CB SER A 90 69.497 -9.878 -3.951 1.00 14.22 C ATOM 1397 OG SER A 90 70.002 -8.664 -4.517 1.00 32.43 O ATOM 0 H SER A 90 68.450 -9.888 -6.809 1.00 72.45 H new ATOM 0 HA SER A 90 68.171 -11.482 -4.400 1.00 0.12 H new ATOM 0 HB2 SER A 90 69.121 -9.680 -2.947 1.00 14.22 H new ATOM 0 HB3 SER A 90 70.311 -10.596 -3.850 1.00 14.22 H new ATOM 0 HG SER A 90 70.711 -8.306 -3.943 1.00 32.43 H new ATOM 1403 N PHE A 91 66.186 -10.062 -3.908 1.00 22.52 N ATOM 1404 CA PHE A 91 64.887 -9.445 -3.946 1.00 23.10 C ATOM 1405 C PHE A 91 64.446 -8.915 -2.586 1.00 42.12 C ATOM 1406 O PHE A 91 64.981 -9.295 -1.544 1.00 74.32 O ATOM 1407 CB PHE A 91 63.834 -10.404 -4.545 1.00 64.21 C ATOM 1408 CG PHE A 91 63.255 -11.480 -3.641 1.00 51.33 C ATOM 1409 CD1 PHE A 91 63.870 -12.717 -3.474 1.00 11.25 C ATOM 1410 CD2 PHE A 91 62.053 -11.253 -2.988 1.00 4.31 C ATOM 1411 CE1 PHE A 91 63.294 -13.679 -2.675 1.00 2.33 C ATOM 1412 CE2 PHE A 91 61.479 -12.214 -2.198 1.00 61.22 C ATOM 1413 CZ PHE A 91 62.096 -13.429 -2.038 1.00 72.40 C ATOM 0 H PHE A 91 66.291 -10.809 -3.221 1.00 22.52 H new ATOM 0 HA PHE A 91 64.971 -8.578 -4.601 1.00 23.10 H new ATOM 0 HB2 PHE A 91 63.007 -9.801 -4.919 1.00 64.21 H new ATOM 0 HB3 PHE A 91 64.283 -10.898 -5.407 1.00 64.21 H new ATOM 0 HD1 PHE A 91 64.805 -12.924 -3.974 1.00 11.25 H new ATOM 0 HD2 PHE A 91 61.559 -10.300 -3.104 1.00 4.31 H new ATOM 0 HE1 PHE A 91 63.782 -14.634 -2.546 1.00 2.33 H new ATOM 0 HE2 PHE A 91 60.541 -12.015 -1.701 1.00 61.22 H new ATOM 0 HZ PHE A 91 61.645 -14.187 -1.415 1.00 72.40 H new ATOM 1423 N SER A 92 63.490 -8.034 -2.620 1.00 13.21 N ATOM 1424 CA SER A 92 62.939 -7.454 -1.428 1.00 63.42 C ATOM 1425 C SER A 92 61.514 -7.927 -1.251 1.00 12.35 C ATOM 1426 O SER A 92 60.704 -7.857 -2.182 1.00 65.40 O ATOM 1427 CB SER A 92 62.997 -5.918 -1.495 1.00 64.34 C ATOM 1428 OG SER A 92 62.477 -5.318 -0.306 1.00 72.34 O ATOM 0 H SER A 92 63.066 -7.694 -3.483 1.00 13.21 H new ATOM 0 HA SER A 92 63.530 -7.773 -0.570 1.00 63.42 H new ATOM 0 HB2 SER A 92 64.029 -5.599 -1.643 1.00 64.34 H new ATOM 0 HB3 SER A 92 62.429 -5.569 -2.357 1.00 64.34 H new ATOM 0 HG SER A 92 62.530 -4.342 -0.382 1.00 72.34 H new ATOM 1434 N VAL A 93 61.210 -8.412 -0.067 1.00 15.21 N ATOM 1435 CA VAL A 93 59.874 -8.900 0.256 1.00 44.32 C ATOM 1436 C VAL A 93 58.860 -7.759 0.347 1.00 70.53 C ATOM 1437 O VAL A 93 57.661 -7.979 0.244 1.00 62.34 O ATOM 1438 CB VAL A 93 59.873 -9.679 1.582 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.750 -10.897 1.480 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.342 -8.798 2.714 1.00 71.25 C ATOM 0 H VAL A 93 61.876 -8.482 0.702 1.00 15.21 H new ATOM 0 HA VAL A 93 59.582 -9.566 -0.556 1.00 44.32 H new ATOM 0 HB VAL A 93 58.852 -9.999 1.787 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.737 -11.435 2.428 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.379 -11.547 0.688 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.771 -10.592 1.250 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.335 -9.366 3.644 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.355 -8.450 2.509 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.676 -7.940 2.807 1.00 71.25 H new ATOM 1450 N LYS A 94 59.360 -6.539 0.530 1.00 25.30 N ATOM 1451 CA LYS A 94 58.517 -5.369 0.671 1.00 34.12 C ATOM 1452 C LYS A 94 57.849 -4.961 -0.618 1.00 43.13 C ATOM 1453 O LYS A 94 56.936 -4.128 -0.612 1.00 62.22 O ATOM 1454 CB LYS A 94 59.290 -4.224 1.299 1.00 44.32 C ATOM 1455 CG LYS A 94 59.739 -4.546 2.703 1.00 11.41 C ATOM 1456 CD LYS A 94 58.545 -4.722 3.624 1.00 61.24 C ATOM 1457 CE LYS A 94 58.964 -5.219 4.979 1.00 64.21 C ATOM 1458 NZ LYS A 94 57.839 -5.207 5.929 1.00 40.32 N ATOM 0 H LYS A 94 60.359 -6.341 0.584 1.00 25.30 H new ATOM 0 HA LYS A 94 57.705 -5.642 1.345 1.00 34.12 H new ATOM 0 HB2 LYS A 94 60.160 -3.994 0.684 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.666 -3.331 1.314 1.00 44.32 H new ATOM 0 HG2 LYS A 94 60.338 -5.457 2.698 1.00 11.41 H new ATOM 0 HG3 LYS A 94 60.378 -3.746 3.078 1.00 11.41 H new ATOM 0 HD2 LYS A 94 58.022 -3.771 3.730 1.00 61.24 H new ATOM 0 HD3 LYS A 94 57.841 -5.425 3.179 1.00 61.24 H new ATOM 0 HE2 LYS A 94 59.357 -6.232 4.891 1.00 64.21 H new ATOM 0 HE3 LYS A 94 59.772 -4.596 5.362 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 58.162 -5.556 6.854 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 57.481 -4.236 6.031 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 57.078 -5.821 5.574 1.00 40.32 H new ATOM 1472 N GLU A 95 58.245 -5.548 -1.709 1.00 41.22 N ATOM 1473 CA GLU A 95 57.589 -5.265 -2.928 1.00 25.25 C ATOM 1474 C GLU A 95 56.560 -6.335 -3.147 1.00 44.21 C ATOM 1475 O GLU A 95 56.789 -7.337 -3.817 1.00 11.24 O ATOM 1476 CB GLU A 95 58.529 -5.196 -4.074 1.00 62.12 C ATOM 1477 CG GLU A 95 59.668 -4.195 -3.899 1.00 1.24 C ATOM 1478 CD GLU A 95 59.165 -2.803 -3.610 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.437 -2.245 -4.445 1.00 30.24 O ATOM 1480 OE2 GLU A 95 59.486 -2.235 -2.548 1.00 35.23 O ATOM 0 H GLU A 95 59.012 -6.217 -1.769 1.00 41.22 H new ATOM 0 HA GLU A 95 57.122 -4.282 -2.865 1.00 25.25 H new ATOM 0 HB2 GLU A 95 58.954 -6.186 -4.239 1.00 62.12 H new ATOM 0 HB3 GLU A 95 57.969 -4.936 -4.972 1.00 62.12 H new ATOM 0 HG2 GLU A 95 60.315 -4.522 -3.085 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.277 -4.179 -4.803 1.00 1.24 H new ATOM 1487 N HIS A 96 55.448 -6.106 -2.558 1.00 61.03 N ATOM 1488 CA HIS A 96 54.352 -7.071 -2.466 1.00 22.11 C ATOM 1489 C HIS A 96 53.791 -7.413 -3.815 1.00 24.20 C ATOM 1490 O HIS A 96 53.489 -8.574 -4.083 1.00 4.12 O ATOM 1491 CB HIS A 96 53.216 -6.606 -1.523 1.00 0.11 C ATOM 1492 CG HIS A 96 53.618 -6.412 -0.084 1.00 4.44 C ATOM 1493 ND1 HIS A 96 52.793 -5.831 0.853 1.00 0.33 N ATOM 1494 CD2 HIS A 96 54.753 -6.739 0.580 1.00 64.43 C ATOM 1495 CE1 HIS A 96 53.391 -5.807 2.020 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.585 -6.353 1.887 1.00 71.43 N ATOM 0 H HIS A 96 55.240 -5.218 -2.101 1.00 61.03 H new ATOM 0 HA HIS A 96 54.792 -7.969 -2.033 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.813 -5.666 -1.901 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.409 -7.338 -1.563 1.00 0.11 H new ATOM 0 HD2 HIS A 96 55.627 -7.215 0.160 1.00 64.43 H new ATOM 0 HE1 HIS A 96 52.977 -5.408 2.934 1.00 53.21 H new ATOM 0 HE2 HIS A 96 55.271 -6.469 2.633 1.00 71.43 H new ATOM 1504 N ARG A 97 53.698 -6.424 -4.692 1.00 61.45 N ATOM 1505 CA ARG A 97 53.150 -6.655 -6.026 1.00 2.00 C ATOM 1506 C ARG A 97 54.105 -7.541 -6.813 1.00 60.51 C ATOM 1507 O ARG A 97 53.687 -8.327 -7.655 1.00 63.44 O ATOM 1508 CB ARG A 97 52.921 -5.346 -6.784 1.00 25.22 C ATOM 1509 CG ARG A 97 52.154 -4.281 -6.011 1.00 31.52 C ATOM 1510 CD ARG A 97 50.773 -4.741 -5.599 1.00 61.22 C ATOM 1511 NE ARG A 97 50.111 -3.738 -4.760 1.00 52.14 N ATOM 1512 CZ ARG A 97 49.020 -3.950 -4.024 1.00 35.43 C ATOM 1513 NH1 ARG A 97 48.395 -5.113 -4.082 1.00 32.04 N ATOM 1514 NH2 ARG A 97 48.544 -2.982 -3.254 1.00 50.15 N ATOM 0 H ARG A 97 53.990 -5.464 -4.510 1.00 61.45 H new ATOM 0 HA ARG A 97 52.183 -7.145 -5.913 1.00 2.00 H new ATOM 0 HB2 ARG A 97 53.889 -4.937 -7.074 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.380 -5.566 -7.704 1.00 25.22 H new ATOM 0 HG2 ARG A 97 52.721 -4.004 -5.122 1.00 31.52 H new ATOM 0 HG3 ARG A 97 52.066 -3.385 -6.625 1.00 31.52 H new ATOM 0 HD2 ARG A 97 50.170 -4.932 -6.487 1.00 61.22 H new ATOM 0 HD3 ARG A 97 50.847 -5.683 -5.055 1.00 61.22 H new ATOM 0 HE ARG A 97 50.518 -2.803 -4.737 1.00 52.14 H new ATOM 0 HH11 ARG A 97 48.747 -5.851 -4.691 1.00 32.04 H new ATOM 0 HH12 ARG A 97 47.560 -5.272 -3.518 1.00 32.04 H new ATOM 0 HH21 ARG A 97 49.012 -2.076 -3.225 1.00 50.15 H new ATOM 0 HH22 ARG A 97 47.709 -3.143 -2.690 1.00 50.15 H new ATOM 1528 N LYS A 98 55.391 -7.443 -6.496 1.00 3.30 N ATOM 1529 CA LYS A 98 56.400 -8.264 -7.149 1.00 1.24 C ATOM 1530 C LYS A 98 56.325 -9.678 -6.649 1.00 33.20 C ATOM 1531 O LYS A 98 56.570 -10.615 -7.396 1.00 63.32 O ATOM 1532 CB LYS A 98 57.806 -7.710 -6.954 1.00 62.12 C ATOM 1533 CG LYS A 98 58.039 -6.351 -7.575 1.00 4.31 C ATOM 1534 CD LYS A 98 57.766 -6.382 -9.064 1.00 4.22 C ATOM 1535 CE LYS A 98 57.965 -5.031 -9.705 1.00 21.35 C ATOM 1536 NZ LYS A 98 57.578 -5.061 -11.122 1.00 63.10 N ATOM 0 H LYS A 98 55.758 -6.803 -5.791 1.00 3.30 H new ATOM 0 HA LYS A 98 56.189 -8.248 -8.218 1.00 1.24 H new ATOM 0 HB2 LYS A 98 58.012 -7.647 -5.886 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.522 -8.415 -7.376 1.00 62.12 H new ATOM 0 HG2 LYS A 98 57.393 -5.614 -7.098 1.00 4.31 H new ATOM 0 HG3 LYS A 98 59.067 -6.037 -7.396 1.00 4.31 H new ATOM 0 HD2 LYS A 98 58.426 -7.109 -9.538 1.00 4.22 H new ATOM 0 HD3 LYS A 98 56.744 -6.718 -9.238 1.00 4.22 H new ATOM 0 HE2 LYS A 98 57.373 -4.283 -9.178 1.00 21.35 H new ATOM 0 HE3 LYS A 98 59.009 -4.732 -9.615 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 57.724 -4.121 -11.542 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 58.161 -5.759 -11.626 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 56.575 -5.324 -11.202 1.00 63.10 H new ATOM 1550 N ILE A 99 55.965 -9.826 -5.387 1.00 54.20 N ATOM 1551 CA ILE A 99 55.804 -11.136 -4.789 1.00 3.41 C ATOM 1552 C ILE A 99 54.688 -11.867 -5.516 1.00 32.52 C ATOM 1553 O ILE A 99 54.860 -12.986 -5.963 1.00 34.24 O ATOM 1554 CB ILE A 99 55.454 -11.056 -3.271 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.437 -10.140 -2.516 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.433 -12.449 -2.646 1.00 53.21 C ATOM 1557 CD1 ILE A 99 57.897 -10.511 -2.648 1.00 13.25 C ATOM 0 H ILE A 99 55.778 -9.049 -4.754 1.00 54.20 H new ATOM 0 HA ILE A 99 56.752 -11.666 -4.881 1.00 3.41 H new ATOM 0 HB ILE A 99 54.458 -10.622 -3.184 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.305 -9.119 -2.874 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.172 -10.144 -1.459 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.187 -12.369 -1.587 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.684 -13.062 -3.148 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.413 -12.912 -2.757 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.504 -9.806 -2.081 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.053 -11.518 -2.261 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.187 -10.477 -3.698 1.00 13.25 H new ATOM 1569 N TYR A 100 53.566 -11.187 -5.689 1.00 43.11 N ATOM 1570 CA TYR A 100 52.417 -11.780 -6.365 1.00 15.13 C ATOM 1571 C TYR A 100 52.760 -12.097 -7.804 1.00 34.44 C ATOM 1572 O TYR A 100 52.448 -13.166 -8.299 1.00 3.54 O ATOM 1573 CB TYR A 100 51.200 -10.849 -6.341 1.00 21.14 C ATOM 1574 CG TYR A 100 50.850 -10.307 -4.966 1.00 60.15 C ATOM 1575 CD1 TYR A 100 50.949 -11.103 -3.826 1.00 74.45 C ATOM 1576 CD2 TYR A 100 50.459 -8.990 -4.808 1.00 64.34 C ATOM 1577 CE1 TYR A 100 50.662 -10.601 -2.577 1.00 71.11 C ATOM 1578 CE2 TYR A 100 50.176 -8.477 -3.562 1.00 62.13 C ATOM 1579 CZ TYR A 100 50.278 -9.283 -2.449 1.00 51.34 C ATOM 1580 OH TYR A 100 49.996 -8.761 -1.202 1.00 40.22 O ATOM 0 H TYR A 100 53.424 -10.228 -5.373 1.00 43.11 H new ATOM 0 HA TYR A 100 52.167 -12.695 -5.828 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.386 -10.010 -7.012 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.338 -11.387 -6.736 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.257 -12.133 -3.925 1.00 74.45 H new ATOM 0 HD2 TYR A 100 50.374 -8.353 -5.676 1.00 64.34 H new ATOM 0 HE1 TYR A 100 50.737 -11.234 -1.705 1.00 71.11 H new ATOM 0 HE2 TYR A 100 49.875 -7.445 -3.457 1.00 62.13 H new ATOM 0 HH TYR A 100 50.672 -9.063 -0.560 1.00 40.22 H new ATOM 1590 N THR A 101 53.467 -11.196 -8.442 1.00 71.31 N ATOM 1591 CA THR A 101 53.783 -11.356 -9.835 1.00 4.12 C ATOM 1592 C THR A 101 54.856 -12.411 -10.104 1.00 22.22 C ATOM 1593 O THR A 101 54.780 -13.112 -11.101 1.00 14.53 O ATOM 1594 CB THR A 101 54.075 -10.021 -10.563 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.014 -9.230 -9.824 1.00 1.34 O ATOM 1596 CG2 THR A 101 52.792 -9.235 -10.767 1.00 55.24 C ATOM 0 H THR A 101 53.833 -10.345 -8.016 1.00 71.31 H new ATOM 0 HA THR A 101 52.865 -11.744 -10.277 1.00 4.12 H new ATOM 0 HB THR A 101 54.507 -10.258 -11.535 1.00 52.21 H new ATOM 0 HG1 THR A 101 54.551 -8.771 -9.092 1.00 1.34 H new ATOM 0 HG21 THR A 101 53.016 -8.300 -11.280 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.098 -9.822 -11.369 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.340 -9.019 -9.799 1.00 55.24 H new ATOM 1604 N MET A 102 55.824 -12.567 -9.199 1.00 34.35 N ATOM 1605 CA MET A 102 56.853 -13.600 -9.379 1.00 63.42 C ATOM 1606 C MET A 102 56.213 -14.984 -9.276 1.00 13.22 C ATOM 1607 O MET A 102 56.615 -15.924 -9.957 1.00 73.13 O ATOM 1608 CB MET A 102 58.041 -13.458 -8.379 1.00 43.15 C ATOM 1609 CG MET A 102 57.707 -13.749 -6.919 1.00 11.42 C ATOM 1610 SD MET A 102 59.123 -13.615 -5.802 1.00 45.04 S ATOM 1611 CE MET A 102 59.537 -11.877 -5.933 1.00 54.24 C ATOM 0 H MET A 102 55.920 -12.007 -8.352 1.00 34.35 H new ATOM 0 HA MET A 102 57.280 -13.467 -10.373 1.00 63.42 H new ATOM 0 HB2 MET A 102 58.840 -14.131 -8.692 1.00 43.15 H new ATOM 0 HB3 MET A 102 58.433 -12.443 -8.449 1.00 43.15 H new ATOM 0 HG2 MET A 102 56.930 -13.059 -6.590 1.00 11.42 H new ATOM 0 HG3 MET A 102 57.292 -14.754 -6.845 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.174 -11.591 -5.096 1.00 54.24 H new ATOM 0 HE2 MET A 102 60.066 -11.699 -6.869 1.00 54.24 H new ATOM 0 HE3 MET A 102 58.623 -11.283 -5.914 1.00 54.24 H new ATOM 1621 N ILE A 103 55.175 -15.072 -8.469 1.00 3.21 N ATOM 1622 CA ILE A 103 54.440 -16.302 -8.278 1.00 52.20 C ATOM 1623 C ILE A 103 53.467 -16.495 -9.445 1.00 5.52 C ATOM 1624 O ILE A 103 53.345 -17.584 -9.993 1.00 70.30 O ATOM 1625 CB ILE A 103 53.689 -16.270 -6.926 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.712 -16.089 -5.789 1.00 12.42 C ATOM 1627 CG2 ILE A 103 52.879 -17.551 -6.723 1.00 5.55 C ATOM 1628 CD1 ILE A 103 54.106 -15.783 -4.433 1.00 2.12 C ATOM 0 H ILE A 103 54.817 -14.287 -7.925 1.00 3.21 H new ATOM 0 HA ILE A 103 55.132 -17.144 -8.255 1.00 52.20 H new ATOM 0 HB ILE A 103 52.989 -15.434 -6.923 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.309 -16.997 -5.708 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.394 -15.282 -6.057 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.360 -17.505 -5.766 1.00 5.55 H new ATOM 0 HG22 ILE A 103 52.150 -17.652 -7.527 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.549 -18.411 -6.732 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.901 -15.672 -3.696 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.533 -14.857 -4.491 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.447 -16.599 -4.136 1.00 2.12 H new ATOM 1640 N TYR A 104 52.818 -15.412 -9.844 1.00 40.11 N ATOM 1641 CA TYR A 104 51.905 -15.401 -10.984 1.00 44.15 C ATOM 1642 C TYR A 104 52.634 -15.782 -12.289 1.00 13.14 C ATOM 1643 O TYR A 104 52.077 -16.436 -13.179 1.00 40.12 O ATOM 1644 CB TYR A 104 51.175 -14.033 -11.063 1.00 10.23 C ATOM 1645 CG TYR A 104 51.100 -13.397 -12.430 1.00 54.34 C ATOM 1646 CD1 TYR A 104 50.054 -13.661 -13.297 1.00 23.41 C ATOM 1647 CD2 TYR A 104 52.094 -12.533 -12.843 1.00 54.33 C ATOM 1648 CE1 TYR A 104 50.007 -13.074 -14.547 1.00 54.14 C ATOM 1649 CE2 TYR A 104 52.059 -11.943 -14.083 1.00 5.31 C ATOM 1650 CZ TYR A 104 51.015 -12.215 -14.933 1.00 60.51 C ATOM 1651 OH TYR A 104 50.986 -11.641 -16.188 1.00 1.15 O ATOM 0 H TYR A 104 52.909 -14.506 -9.384 1.00 40.11 H new ATOM 0 HA TYR A 104 51.140 -16.165 -10.842 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.159 -14.164 -10.690 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.675 -13.338 -10.388 1.00 10.23 H new ATOM 0 HD1 TYR A 104 49.265 -14.334 -12.993 1.00 23.41 H new ATOM 0 HD2 TYR A 104 52.916 -12.316 -12.177 1.00 54.33 H new ATOM 0 HE1 TYR A 104 49.187 -13.286 -15.217 1.00 54.14 H new ATOM 0 HE2 TYR A 104 52.847 -11.270 -14.387 1.00 5.31 H new ATOM 0 HH TYR A 104 51.768 -11.061 -16.301 1.00 1.15 H new ATOM 1661 N ARG A 105 53.893 -15.412 -12.362 1.00 53.53 N ATOM 1662 CA ARG A 105 54.773 -15.731 -13.481 1.00 5.51 C ATOM 1663 C ARG A 105 55.064 -17.253 -13.511 1.00 13.24 C ATOM 1664 O ARG A 105 55.610 -17.787 -14.475 1.00 2.23 O ATOM 1665 CB ARG A 105 56.074 -14.930 -13.302 1.00 24.32 C ATOM 1666 CG ARG A 105 57.085 -15.026 -14.426 1.00 13.52 C ATOM 1667 CD ARG A 105 58.316 -14.193 -14.100 1.00 62.13 C ATOM 1668 NE ARG A 105 59.310 -14.249 -15.167 1.00 23.52 N ATOM 1669 CZ ARG A 105 60.562 -13.788 -15.090 1.00 63.44 C ATOM 1670 NH1 ARG A 105 60.994 -13.151 -14.002 1.00 4.40 N ATOM 1671 NH2 ARG A 105 61.379 -13.932 -16.120 1.00 43.11 N ATOM 0 H ARG A 105 54.351 -14.868 -11.631 1.00 53.53 H new ATOM 0 HA ARG A 105 54.302 -15.465 -14.427 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.813 -13.880 -13.166 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.555 -15.261 -12.381 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.371 -16.066 -14.579 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.638 -14.678 -15.357 1.00 13.52 H new ATOM 0 HD2 ARG A 105 58.020 -13.157 -13.934 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.760 -14.550 -13.171 1.00 62.13 H new ATOM 0 HE ARG A 105 59.024 -14.677 -16.048 1.00 23.52 H new ATOM 0 HH11 ARG A 105 60.366 -13.009 -13.211 1.00 4.40 H new ATOM 0 HH12 ARG A 105 61.953 -12.806 -13.960 1.00 4.40 H new ATOM 0 HH21 ARG A 105 61.053 -14.393 -16.969 1.00 43.11 H new ATOM 0 HH22 ARG A 105 62.335 -13.582 -16.065 1.00 43.11 H new ATOM 1685 N ASN A 106 54.677 -17.935 -12.455 1.00 14.40 N ATOM 1686 CA ASN A 106 54.910 -19.357 -12.332 1.00 75.13 C ATOM 1687 C ASN A 106 53.638 -20.160 -12.286 1.00 64.35 C ATOM 1688 O ASN A 106 53.673 -21.363 -12.040 1.00 43.10 O ATOM 1689 CB ASN A 106 55.795 -19.686 -11.146 1.00 32.11 C ATOM 1690 CG ASN A 106 57.243 -19.366 -11.402 1.00 41.53 C ATOM 1691 OD1 ASN A 106 57.992 -20.193 -11.899 1.00 63.30 O ATOM 1692 ND2 ASN A 106 57.659 -18.187 -11.075 1.00 61.11 N ATOM 0 H ASN A 106 54.193 -17.520 -11.659 1.00 14.40 H new ATOM 0 HA ASN A 106 55.437 -19.647 -13.241 1.00 75.13 H new ATOM 0 HB2 ASN A 106 55.451 -19.129 -10.275 1.00 32.11 H new ATOM 0 HB3 ASN A 106 55.697 -20.745 -10.906 1.00 32.11 H new ATOM 0 HD21 ASN A 106 58.633 -17.929 -11.231 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.013 -17.515 -10.661 1.00 61.11 H new ATOM 1699 N LEU A 107 52.531 -19.518 -12.515 1.00 34.24 N ATOM 1700 CA LEU A 107 51.277 -20.220 -12.575 1.00 22.31 C ATOM 1701 C LEU A 107 50.721 -20.162 -13.991 1.00 22.33 C ATOM 1702 O LEU A 107 51.331 -19.539 -14.875 1.00 3.21 O ATOM 1703 CB LEU A 107 50.295 -19.712 -11.493 1.00 10.31 C ATOM 1704 CG LEU A 107 49.929 -18.227 -11.512 1.00 32.14 C ATOM 1705 CD1 LEU A 107 48.846 -17.904 -12.514 1.00 53.04 C ATOM 1706 CD2 LEU A 107 49.561 -17.738 -10.137 1.00 33.10 C ATOM 0 H LEU A 107 52.467 -18.511 -12.664 1.00 34.24 H new ATOM 0 HA LEU A 107 51.435 -21.273 -12.342 1.00 22.31 H new ATOM 0 HB2 LEU A 107 49.373 -20.287 -11.579 1.00 10.31 H new ATOM 0 HB3 LEU A 107 50.723 -19.940 -10.517 1.00 10.31 H new ATOM 0 HG LEU A 107 50.822 -17.693 -11.837 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.628 -16.836 -12.483 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.183 -18.176 -13.514 1.00 53.04 H new ATOM 0 HD13 LEU A 107 47.945 -18.466 -12.269 1.00 53.04 H new ATOM 0 HD21 LEU A 107 49.306 -16.679 -10.184 1.00 33.10 H new ATOM 0 HD22 LEU A 107 48.704 -18.302 -9.768 1.00 33.10 H new ATOM 0 HD23 LEU A 107 50.406 -17.878 -9.463 1.00 33.10 H new ATOM 1718 N VAL A 108 49.591 -20.779 -14.212 1.00 63.11 N ATOM 1719 CA VAL A 108 49.026 -20.867 -15.543 1.00 1.01 C ATOM 1720 C VAL A 108 47.902 -19.854 -15.725 1.00 71.42 C ATOM 1721 O VAL A 108 46.871 -19.930 -15.039 1.00 31.43 O ATOM 1722 CB VAL A 108 48.485 -22.297 -15.847 1.00 35.03 C ATOM 1723 CG1 VAL A 108 47.933 -22.387 -17.265 1.00 45.42 C ATOM 1724 CG2 VAL A 108 49.572 -23.340 -15.641 1.00 72.10 C ATOM 0 H VAL A 108 49.036 -21.233 -13.486 1.00 63.11 H new ATOM 0 HA VAL A 108 49.831 -20.645 -16.243 1.00 1.01 H new ATOM 0 HB VAL A 108 47.671 -22.497 -15.150 1.00 35.03 H new ATOM 0 HG11 VAL A 108 47.563 -23.396 -17.448 1.00 45.42 H new ATOM 0 HG12 VAL A 108 47.117 -21.674 -17.384 1.00 45.42 H new ATOM 0 HG13 VAL A 108 48.724 -22.156 -17.979 1.00 45.42 H new ATOM 0 HG21 VAL A 108 49.172 -24.330 -15.859 1.00 72.10 H new ATOM 0 HG22 VAL A 108 50.408 -23.131 -16.309 1.00 72.10 H new ATOM 0 HG23 VAL A 108 49.917 -23.307 -14.607 1.00 72.10 H new ATOM 1734 N VAL A 109 48.124 -18.912 -16.620 1.00 53.02 N ATOM 1735 CA VAL A 109 47.151 -17.899 -17.007 1.00 54.14 C ATOM 1736 C VAL A 109 47.306 -17.572 -18.486 1.00 41.24 C ATOM 1737 O VAL A 109 48.014 -16.611 -18.848 1.00 0.00 O ATOM 1738 CB VAL A 109 47.190 -16.594 -16.149 1.00 42.33 C ATOM 1739 CG1 VAL A 109 46.423 -16.769 -14.848 1.00 54.03 C ATOM 1740 CG2 VAL A 109 48.610 -16.221 -15.848 1.00 33.31 C ATOM 1741 OXT VAL A 109 46.753 -18.320 -19.314 1.00 0.00 O ATOM 0 H VAL A 109 49.011 -18.824 -17.115 1.00 53.02 H new ATOM 0 HA VAL A 109 46.171 -18.336 -16.814 1.00 54.14 H new ATOM 0 HB VAL A 109 46.716 -15.799 -16.724 1.00 42.33 H new ATOM 0 HG11 VAL A 109 46.468 -15.845 -14.272 1.00 54.03 H new ATOM 0 HG12 VAL A 109 45.383 -17.009 -15.068 1.00 54.03 H new ATOM 0 HG13 VAL A 109 46.868 -17.579 -14.270 1.00 54.03 H new ATOM 0 HG21 VAL A 109 48.628 -15.310 -15.250 1.00 33.31 H new ATOM 0 HG22 VAL A 109 49.089 -17.029 -15.294 1.00 33.31 H new ATOM 0 HG23 VAL A 109 49.148 -16.053 -16.781 1.00 33.31 H new TER 1751 VAL A 109 ATOM 1752 N ASP B 301 50.608 -6.275 11.197 1.00 70.03 N ATOM 1753 CA ASP B 301 51.436 -5.477 10.275 1.00 40.31 C ATOM 1754 C ASP B 301 52.899 -5.492 10.760 1.00 43.41 C ATOM 1755 O ASP B 301 53.716 -4.653 10.381 1.00 3.22 O ATOM 1756 CB ASP B 301 50.895 -4.034 10.190 1.00 55.03 C ATOM 1757 CG ASP B 301 51.476 -3.251 9.022 1.00 52.13 C ATOM 1758 OD1 ASP B 301 51.057 -3.497 7.865 1.00 11.23 O ATOM 1759 OD2 ASP B 301 52.331 -2.360 9.232 1.00 23.31 O ATOM 0 HA ASP B 301 51.394 -5.910 9.276 1.00 40.31 H new ATOM 0 HB2 ASP B 301 49.809 -4.063 10.097 1.00 55.03 H new ATOM 0 HB3 ASP B 301 51.121 -3.511 11.119 1.00 55.03 H new ATOM 1766 N GLY B 302 53.232 -6.471 11.582 1.00 32.14 N ATOM 1767 CA GLY B 302 54.510 -6.553 12.157 1.00 10.15 C ATOM 1768 C GLY B 302 55.467 -7.197 11.228 1.00 44.11 C ATOM 1769 O GLY B 302 55.306 -8.354 10.844 1.00 74.13 O ATOM 0 H GLY B 302 52.600 -7.224 11.854 1.00 32.14 H new ATOM 0 HA2 GLY B 302 54.862 -5.554 12.414 1.00 10.15 H new ATOM 0 HA3 GLY B 302 54.460 -7.122 13.086 1.00 10.15 H new ATOM 1773 N GLY B 303 56.393 -6.436 10.824 1.00 50.33 N ATOM 1774 CA GLY B 303 57.438 -6.921 9.977 1.00 63.40 C ATOM 1775 C GLY B 303 58.545 -7.575 10.773 1.00 53.01 C ATOM 1776 O GLY B 303 58.569 -8.786 10.914 1.00 2.33 O ATOM 0 H GLY B 303 56.466 -5.447 11.063 1.00 50.33 H new ATOM 0 HA2 GLY B 303 57.027 -7.639 9.267 1.00 63.40 H new ATOM 0 HA3 GLY B 303 57.847 -6.095 9.395 1.00 63.40 H new ATOM 1780 N THR B 304 59.428 -6.749 11.304 1.00 72.21 N ATOM 1781 CA THR B 304 60.586 -7.138 12.137 1.00 53.02 C ATOM 1782 C THR B 304 61.521 -8.234 11.543 1.00 61.42 C ATOM 1783 O THR B 304 62.565 -7.919 10.953 1.00 41.25 O ATOM 1784 CB THR B 304 60.200 -7.443 13.623 1.00 73.35 C ATOM 1785 OG1 THR B 304 59.217 -8.509 13.718 1.00 53.13 O ATOM 1786 CG2 THR B 304 59.651 -6.189 14.293 1.00 11.42 C ATOM 0 H THR B 304 59.368 -5.740 11.169 1.00 72.21 H new ATOM 0 HA THR B 304 61.197 -6.235 12.130 1.00 53.02 H new ATOM 0 HB THR B 304 61.107 -7.769 14.133 1.00 73.35 H new ATOM 0 HG1 THR B 304 59.002 -8.672 14.660 1.00 53.13 H new ATOM 0 HG21 THR B 304 59.386 -6.415 15.326 1.00 11.42 H new ATOM 0 HG22 THR B 304 60.409 -5.406 14.275 1.00 11.42 H new ATOM 0 HG23 THR B 304 58.765 -5.849 13.757 1.00 11.42 H new ATOM 1794 N THR B 305 61.128 -9.482 11.682 1.00 33.52 N ATOM 1795 CA THR B 305 61.923 -10.621 11.259 1.00 3.31 C ATOM 1796 C THR B 305 61.306 -11.239 9.991 1.00 54.44 C ATOM 1797 O THR B 305 60.090 -11.158 9.806 1.00 34.54 O ATOM 1798 CB THR B 305 62.029 -11.676 12.424 1.00 43.20 C ATOM 1799 OG1 THR B 305 62.820 -12.814 12.050 1.00 13.01 O ATOM 1800 CG2 THR B 305 60.657 -12.151 12.888 1.00 31.13 C ATOM 0 H THR B 305 60.233 -9.741 12.098 1.00 33.52 H new ATOM 0 HA THR B 305 62.934 -10.292 11.021 1.00 3.31 H new ATOM 0 HB THR B 305 62.522 -11.161 13.248 1.00 43.20 H new ATOM 0 HG1 THR B 305 62.863 -13.443 12.800 1.00 13.01 H new ATOM 0 HG21 THR B 305 60.776 -12.877 13.692 1.00 31.13 H new ATOM 0 HG22 THR B 305 60.081 -11.300 13.250 1.00 31.13 H new ATOM 0 HG23 THR B 305 60.132 -12.616 12.054 1.00 31.13 H new ATOM 1808 N PHE B 306 62.146 -11.854 9.134 1.00 23.43 N ATOM 1809 CA PHE B 306 61.717 -12.444 7.848 1.00 31.21 C ATOM 1810 C PHE B 306 60.503 -13.356 8.006 1.00 61.12 C ATOM 1811 O PHE B 306 59.536 -13.261 7.249 1.00 3.43 O ATOM 1812 CB PHE B 306 62.877 -13.199 7.169 1.00 53.41 C ATOM 1813 CG PHE B 306 62.484 -13.861 5.884 1.00 65.10 C ATOM 1814 CD1 PHE B 306 62.305 -13.111 4.737 1.00 73.14 C ATOM 1815 CD2 PHE B 306 62.275 -15.231 5.826 1.00 42.23 C ATOM 1816 CE1 PHE B 306 61.924 -13.707 3.560 1.00 14.34 C ATOM 1817 CE2 PHE B 306 61.897 -15.832 4.650 1.00 4.02 C ATOM 1818 CZ PHE B 306 61.719 -15.068 3.516 1.00 41.22 C ATOM 0 H PHE B 306 63.145 -11.956 9.314 1.00 23.43 H new ATOM 0 HA PHE B 306 61.419 -11.615 7.206 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.691 -12.501 6.975 1.00 53.41 H new ATOM 0 HB3 PHE B 306 63.261 -13.954 7.855 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.467 -12.044 4.767 1.00 73.14 H new ATOM 0 HD2 PHE B 306 62.411 -15.831 6.714 1.00 42.23 H new ATOM 0 HE1 PHE B 306 61.785 -13.110 2.671 1.00 14.34 H new ATOM 0 HE2 PHE B 306 61.740 -16.900 4.614 1.00 4.02 H new ATOM 0 HZ PHE B 306 61.418 -15.538 2.591 1.00 41.22 H new ATOM 1828 N GLU B 307 60.562 -14.201 9.011 1.00 22.24 N ATOM 1829 CA GLU B 307 59.495 -15.131 9.352 1.00 73.43 C ATOM 1830 C GLU B 307 58.153 -14.409 9.514 1.00 33.30 C ATOM 1831 O GLU B 307 57.122 -14.848 9.015 1.00 31.35 O ATOM 1832 CB GLU B 307 59.917 -15.874 10.642 1.00 34.14 C ATOM 1833 CG GLU B 307 58.874 -16.767 11.304 1.00 23.45 C ATOM 1834 CD GLU B 307 57.920 -16.020 12.212 1.00 64.23 C ATOM 1835 OE1 GLU B 307 58.371 -15.472 13.239 1.00 53.15 O ATOM 1836 OE2 GLU B 307 56.716 -15.969 11.926 1.00 13.13 O ATOM 0 H GLU B 307 61.369 -14.266 9.631 1.00 22.24 H new ATOM 0 HA GLU B 307 59.347 -15.850 8.547 1.00 73.43 H new ATOM 0 HB2 GLU B 307 60.788 -16.487 10.409 1.00 34.14 H new ATOM 0 HB3 GLU B 307 60.237 -15.130 11.371 1.00 34.14 H new ATOM 0 HG2 GLU B 307 58.300 -17.276 10.529 1.00 23.45 H new ATOM 0 HG3 GLU B 307 59.383 -17.538 11.882 1.00 23.45 H new ATOM 1843 N HIS B 308 58.211 -13.280 10.136 1.00 4.31 N ATOM 1844 CA HIS B 308 57.041 -12.515 10.482 1.00 63.23 C ATOM 1845 C HIS B 308 56.580 -11.732 9.264 1.00 43.42 C ATOM 1846 O HIS B 308 55.437 -11.848 8.841 1.00 4.03 O ATOM 1847 CB HIS B 308 57.417 -11.556 11.615 1.00 63.24 C ATOM 1848 CG HIS B 308 56.289 -10.911 12.373 1.00 24.31 C ATOM 1849 ND1 HIS B 308 56.506 -9.916 13.310 1.00 22.21 N ATOM 1850 CD2 HIS B 308 54.958 -11.162 12.400 1.00 2.42 C ATOM 1851 CE1 HIS B 308 55.373 -9.591 13.879 1.00 61.43 C ATOM 1852 NE2 HIS B 308 54.406 -10.328 13.351 1.00 65.13 N ATOM 0 H HIS B 308 59.087 -12.847 10.428 1.00 4.31 H new ATOM 0 HA HIS B 308 56.232 -13.170 10.806 1.00 63.23 H new ATOM 0 HB2 HIS B 308 58.035 -12.102 12.328 1.00 63.24 H new ATOM 0 HB3 HIS B 308 58.038 -10.765 11.195 1.00 63.24 H new ATOM 0 HD1 HIS B 308 57.412 -9.499 13.525 1.00 22.21 H new ATOM 0 HD2 HIS B 308 54.428 -11.880 11.792 1.00 2.42 H new ATOM 0 HE1 HIS B 308 55.247 -8.846 14.651 1.00 61.43 H new ATOM 1860 N LEU B 309 57.499 -10.998 8.676 1.00 64.14 N ATOM 1861 CA LEU B 309 57.206 -10.095 7.576 1.00 52.01 C ATOM 1862 C LEU B 309 56.763 -10.781 6.268 1.00 42.30 C ATOM 1863 O LEU B 309 55.949 -10.226 5.525 1.00 13.44 O ATOM 1864 CB LEU B 309 58.349 -9.068 7.376 1.00 30.00 C ATOM 1865 CG LEU B 309 59.781 -9.580 7.171 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.951 -10.267 5.850 1.00 10.42 C ATOM 1867 CD2 LEU B 309 60.779 -8.458 7.329 1.00 12.40 C ATOM 0 H LEU B 309 58.482 -11.009 8.948 1.00 64.14 H new ATOM 0 HA LEU B 309 56.315 -9.544 7.877 1.00 52.01 H new ATOM 0 HB2 LEU B 309 58.092 -8.454 6.513 1.00 30.00 H new ATOM 0 HB3 LEU B 309 58.356 -8.410 8.245 1.00 30.00 H new ATOM 0 HG LEU B 309 59.972 -10.324 7.945 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.980 -10.612 5.749 1.00 10.42 H new ATOM 0 HD12 LEU B 309 59.275 -11.120 5.794 1.00 10.42 H new ATOM 0 HD13 LEU B 309 59.722 -9.569 5.045 1.00 10.42 H new ATOM 0 HD21 LEU B 309 61.787 -8.844 7.179 1.00 12.40 H new ATOM 0 HD22 LEU B 309 60.574 -7.682 6.591 1.00 12.40 H new ATOM 0 HD23 LEU B 309 60.697 -8.036 8.331 1.00 12.40 H new ATOM 1879 N TRP B 310 57.267 -11.984 6.000 1.00 43.14 N ATOM 1880 CA TRP B 310 56.899 -12.707 4.780 1.00 14.01 C ATOM 1881 C TRP B 310 55.490 -13.245 4.926 1.00 31.23 C ATOM 1882 O TRP B 310 54.712 -13.301 3.982 1.00 14.12 O ATOM 1883 CB TRP B 310 57.909 -13.849 4.481 1.00 43.11 C ATOM 1884 CG TRP B 310 57.536 -14.728 3.307 1.00 74.31 C ATOM 1885 CD1 TRP B 310 56.865 -15.905 3.364 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.803 -14.497 1.915 1.00 15.41 C ATOM 1887 NE1 TRP B 310 56.700 -16.424 2.101 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.259 -15.581 1.197 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.442 -13.490 1.211 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.333 -15.675 -0.184 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.517 -13.583 -0.164 1.00 70.43 C ATOM 1892 CH2 TRP B 310 57.965 -14.668 -0.849 1.00 52.42 C ATOM 0 H TRP B 310 57.925 -12.477 6.604 1.00 43.14 H new ATOM 0 HA TRP B 310 56.932 -12.021 3.933 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.889 -13.410 4.292 1.00 43.11 H new ATOM 0 HB3 TRP B 310 58.005 -14.473 5.369 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.510 -16.369 4.272 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.232 -17.303 1.879 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.874 -12.647 1.729 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 56.906 -16.514 -0.713 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 59.012 -12.802 -0.721 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.041 -14.709 -1.926 1.00 52.42 H new ATOM 1903 N SER B 311 55.153 -13.568 6.133 1.00 14.42 N ATOM 1904 CA SER B 311 53.866 -14.101 6.443 1.00 14.14 C ATOM 1905 C SER B 311 52.834 -12.973 6.600 1.00 41.41 C ATOM 1906 O SER B 311 51.663 -13.221 6.864 1.00 31.14 O ATOM 1907 CB SER B 311 53.990 -14.895 7.729 1.00 42.43 C ATOM 1908 OG SER B 311 55.042 -15.846 7.615 1.00 14.24 O ATOM 0 H SER B 311 55.770 -13.468 6.939 1.00 14.42 H new ATOM 0 HA SER B 311 53.522 -14.745 5.634 1.00 14.14 H new ATOM 0 HB2 SER B 311 54.186 -14.222 8.564 1.00 42.43 H new ATOM 0 HB3 SER B 311 53.050 -15.404 7.944 1.00 42.43 H new ATOM 0 HG SER B 311 55.826 -15.527 8.108 1.00 14.24 H new ATOM 1914 N SER B 312 53.292 -11.754 6.474 1.00 1.11 N ATOM 1915 CA SER B 312 52.472 -10.590 6.663 1.00 11.44 C ATOM 1916 C SER B 312 52.373 -9.758 5.379 1.00 60.40 C ATOM 1917 O SER B 312 51.997 -8.584 5.420 1.00 41.34 O ATOM 1918 CB SER B 312 53.079 -9.766 7.790 1.00 21.31 C ATOM 1919 OG SER B 312 53.160 -10.543 8.993 1.00 22.34 O ATOM 0 H SER B 312 54.260 -11.541 6.233 1.00 1.11 H new ATOM 0 HA SER B 312 51.458 -10.896 6.919 1.00 11.44 H new ATOM 0 HB2 SER B 312 54.073 -9.424 7.503 1.00 21.31 H new ATOM 0 HB3 SER B 312 52.474 -8.876 7.965 1.00 21.31 H new ATOM 0 HG SER B 312 53.821 -11.257 8.877 1.00 22.34 H new ATOM 1925 N LEU B 313 52.672 -10.350 4.242 1.00 4.23 N ATOM 1926 CA LEU B 313 52.716 -9.560 3.028 1.00 14.51 C ATOM 1927 C LEU B 313 51.463 -9.694 2.195 1.00 52.23 C ATOM 1928 O LEU B 313 51.392 -9.180 1.071 1.00 52.02 O ATOM 1929 CB LEU B 313 54.017 -9.806 2.222 1.00 61.41 C ATOM 1930 CG LEU B 313 54.315 -11.212 1.668 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.454 -11.560 0.459 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.774 -11.310 1.311 1.00 23.23 C ATOM 0 H LEU B 313 52.882 -11.342 4.131 1.00 4.23 H new ATOM 0 HA LEU B 313 52.743 -8.515 3.336 1.00 14.51 H new ATOM 0 HB2 LEU B 313 54.012 -9.117 1.377 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.854 -9.523 2.860 1.00 61.41 H new ATOM 0 HG LEU B 313 54.069 -11.933 2.448 1.00 1.40 H new ATOM 0 HD11 LEU B 313 53.705 -12.561 0.109 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.401 -11.528 0.740 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.639 -10.840 -0.338 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.987 -12.305 0.919 1.00 23.23 H new ATOM 0 HD22 LEU B 313 56.015 -10.563 0.555 1.00 23.23 H new ATOM 0 HD23 LEU B 313 56.379 -11.134 2.201 1.00 23.23 H new ATOM 1944 N GLU B 314 50.467 -10.349 2.741 1.00 50.02 N ATOM 1945 CA GLU B 314 49.223 -10.500 2.035 1.00 22.11 C ATOM 1946 C GLU B 314 48.359 -9.243 2.252 1.00 24.03 C ATOM 1947 O GLU B 314 48.561 -8.509 3.233 1.00 52.11 O ATOM 1948 CB GLU B 314 48.461 -11.793 2.430 1.00 41.12 C ATOM 1949 CG GLU B 314 47.982 -11.857 3.861 1.00 31.33 C ATOM 1950 CD GLU B 314 49.045 -12.187 4.865 1.00 73.45 C ATOM 1951 OE1 GLU B 314 49.267 -13.386 5.134 1.00 40.53 O ATOM 1952 OE2 GLU B 314 49.637 -11.254 5.428 1.00 13.23 O ATOM 0 H GLU B 314 50.495 -10.782 3.664 1.00 50.02 H new ATOM 0 HA GLU B 314 49.447 -10.605 0.973 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.599 -11.900 1.772 1.00 41.12 H new ATOM 0 HB3 GLU B 314 49.112 -12.648 2.245 1.00 41.12 H new ATOM 0 HG2 GLU B 314 47.539 -10.897 4.124 1.00 31.33 H new ATOM 0 HG3 GLU B 314 47.191 -12.603 3.932 1.00 31.33 H new ATOM 1959 N PRO B 315 47.438 -8.936 1.331 1.00 10.45 N ATOM 1960 CA PRO B 315 46.572 -7.775 1.473 1.00 54.32 C ATOM 1961 C PRO B 315 45.440 -8.013 2.463 1.00 3.22 C ATOM 1962 O PRO B 315 45.296 -7.298 3.468 1.00 2.51 O ATOM 1963 CB PRO B 315 46.017 -7.543 0.059 1.00 25.23 C ATOM 1964 CG PRO B 315 46.230 -8.817 -0.702 1.00 44.42 C ATOM 1965 CD PRO B 315 47.197 -9.672 0.071 1.00 62.12 C ATOM 0 HA PRO B 315 47.117 -6.917 1.866 1.00 54.32 H new ATOM 0 HB2 PRO B 315 44.958 -7.287 0.096 1.00 25.23 H new ATOM 0 HB3 PRO B 315 46.529 -6.712 -0.426 1.00 25.23 H new ATOM 0 HG2 PRO B 315 45.284 -9.341 -0.838 1.00 44.42 H new ATOM 0 HG3 PRO B 315 46.622 -8.604 -1.697 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.781 -10.661 0.265 1.00 62.12 H new ATOM 0 HD3 PRO B 315 48.124 -9.819 -0.483 1.00 62.12 H new ATOM 1973 N ASP B 316 44.686 -9.032 2.218 1.00 41.21 N ATOM 1974 CA ASP B 316 43.519 -9.337 2.967 1.00 41.22 C ATOM 1975 C ASP B 316 43.213 -10.768 2.755 1.00 10.30 C ATOM 1976 O ASP B 316 42.883 -11.472 3.703 1.00 0.00 O ATOM 1977 CB ASP B 316 42.358 -8.481 2.499 1.00 11.05 C ATOM 1978 CG ASP B 316 41.050 -8.894 3.123 1.00 61.13 C ATOM 1979 OD1 ASP B 316 40.789 -8.504 4.279 1.00 1.52 O ATOM 1980 OD2 ASP B 316 40.249 -9.599 2.468 1.00 52.21 O ATOM 1981 OXT ASP B 316 43.406 -11.233 1.634 1.00 0.00 O ATOM 0 H ASP B 316 44.874 -9.695 1.466 1.00 41.21 H new ATOM 0 HA ASP B 316 43.682 -9.133 4.025 1.00 41.22 H new ATOM 0 HB2 ASP B 316 42.559 -7.437 2.741 1.00 11.05 H new ATOM 0 HB3 ASP B 316 42.276 -8.547 1.414 1.00 11.05 H new TER 1986 ASP B 316