USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 995 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 GLN : amide:sc= -3.55! C(o=-4.2!,f=-4!) USER MOD Set 1.2: A 122 GLN : amide:sc= -0.622 X(o=-4.2,f=-4) USER MOD Set 2.1: A 83 LYS NZ :NH3+ 150:sc=0.000695 (180deg=0) USER MOD Set 2.2: A 95 THR OG1 : rot -160:sc= 0.227 USER MOD Set 2.3: A 103 THR OG1 : rot -86:sc= 0.242 USER MOD Set 3.1: A 61 THR OG1 : rot -120:sc= 0.842 USER MOD Set 3.2: A 69 LYS NZ :NH3+ -177:sc= 0.976 (180deg=0) USER MOD Set 4.1: A 47 SER OG : rot -163:sc= -0.74! USER MOD Set 4.2: A 54 GLN : amide:sc= -1.47! C(o=-2.2!,f=-8.1!) USER MOD Set 5.1: A 28 THR OG1 : rot 80:sc= 2.3 USER MOD Set 5.2: A 45 THR OG1 : rot 82:sc= 1.33 USER MOD Set 6.1: A 19 LYS NZ :NH3+ -172:sc= 1.07 (180deg=-0.124) USER MOD Set 6.2: A 22 GLN : amide:sc= -4.16! C(o=-3.1!,f=-8.5!) USER MOD Set 7.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 17 MET CE :methyl 150:sc= 0 (180deg=-1.11) USER MOD Single : A 11 SER OG : rot 21:sc= 0.425 USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= -1.17 (180deg=-1.58!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= 1.04 (180deg=0.328) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0699 (180deg=-0.43) USER MOD Single : A 34 LYS NZ :NH3+ -129:sc= -0.124 (180deg=-0.95) USER MOD Single : A 35 THR OG1 : rot 161:sc= 1.38 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 46:sc= 0.259 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 58:sc= -4.38! USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 1.21 (180deg=0.973) USER MOD Single : A 57 LYS NZ :NH3+ -109:sc= -0.342 (180deg=-1.58!) USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= -0.123 (180deg=-0.532) USER MOD Single : A 60 SER OG : rot 120:sc= -1.5! USER MOD Single : A 65 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -130:sc= -1.99! USER MOD Single : A 78 LYS NZ :NH3+ -148:sc= 1.14 (180deg=1.07) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -12:sc= 0.829 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -2.56! C(o=-3.8!,f=-2.6!) USER MOD Single : A 88 ASN :FLIP amide:sc= 0.262 F(o=-0.58,f=0.26) USER MOD Single : A 89 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.257 F(o=-2.9!,f=-0.26) USER MOD Single : A 98 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 102 THR OG1 : rot 70:sc= 1.2 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -0.18 F(o=-2.7!,f=-0.18) USER MOD Single : A 107 THR OG1 : rot -110:sc= -0.776 USER MOD Single : A 109 LYS NZ :NH3+ 167:sc= -0.0327 (180deg=-0.207) USER MOD Single : A 110 SER OG : rot 180:sc= 0.409 USER MOD Single : A 116 SER OG : rot 75:sc= 0.561 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.529 F(o=-2.4!,f=-0.53) USER MOD Single : A 123 SER OG : rot 79:sc= 0.263 USER MOD Single : A 125 MET CE :methyl 159:sc= -0.109 (180deg=-1.83) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl -152:sc= -0.355 (180deg=-1.28) USER MOD Single : A 129 SER OG : rot 51:sc= 1.23 USER MOD Single : A 130 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ -164:sc= -0.0603 (180deg=-0.306) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 11 24.902 3.608 4.137 1.00 1.07 N ATOM 2 CA SER A 11 24.826 3.165 2.739 1.00 1.09 C ATOM 3 C SER A 11 23.406 3.359 2.219 1.00 0.93 C ATOM 4 O SER A 11 22.447 2.892 2.829 1.00 0.81 O ATOM 5 CB SER A 11 25.232 1.698 2.668 1.00 1.17 C ATOM 6 OG SER A 11 26.356 1.444 3.499 1.00 1.81 O ATOM 0 HA SER A 11 25.501 3.753 2.117 1.00 1.09 H new ATOM 0 HB2 SER A 11 24.397 1.070 2.977 1.00 1.17 H new ATOM 0 HB3 SER A 11 25.468 1.431 1.638 1.00 1.17 H new ATOM 0 HG SER A 11 26.431 2.151 4.173 1.00 1.81 H new ATOM 14 N ALA A 12 23.289 4.054 1.089 1.00 0.96 N ATOM 15 CA ALA A 12 21.997 4.466 0.550 1.00 0.88 C ATOM 16 C ALA A 12 21.094 3.281 0.225 1.00 0.77 C ATOM 17 O ALA A 12 19.873 3.379 0.332 1.00 0.67 O ATOM 18 CB ALA A 12 22.198 5.323 -0.688 1.00 0.97 C ATOM 0 H ALA A 12 24.086 4.346 0.523 1.00 0.96 H new ATOM 0 HA ALA A 12 21.497 5.048 1.324 1.00 0.88 H new ATOM 0 HB1 ALA A 12 21.228 5.625 -1.083 1.00 0.97 H new ATOM 0 HB2 ALA A 12 22.776 6.210 -0.427 1.00 0.97 H new ATOM 0 HB3 ALA A 12 22.735 4.750 -1.444 1.00 0.97 H new ATOM 24 N SER A 13 21.687 2.168 -0.177 1.00 0.87 N ATOM 25 CA SER A 13 20.909 0.985 -0.497 1.00 0.84 C ATOM 26 C SER A 13 20.529 0.253 0.788 1.00 0.73 C ATOM 27 O SER A 13 19.370 -0.114 0.987 1.00 0.63 O ATOM 28 CB SER A 13 21.692 0.065 -1.440 1.00 1.03 C ATOM 29 OG SER A 13 20.848 -0.914 -2.023 1.00 1.64 O ATOM 0 H SER A 13 22.695 2.060 -0.288 1.00 0.87 H new ATOM 0 HA SER A 13 19.995 1.288 -1.008 1.00 0.84 H new ATOM 0 HB2 SER A 13 22.160 0.659 -2.225 1.00 1.03 H new ATOM 0 HB3 SER A 13 22.495 -0.425 -0.890 1.00 1.03 H new ATOM 0 HG SER A 13 21.374 -1.485 -2.621 1.00 1.64 H new ATOM 35 N ASP A 14 21.509 0.074 1.672 1.00 0.79 N ATOM 36 CA ASP A 14 21.288 -0.595 2.953 1.00 0.78 C ATOM 37 C ASP A 14 20.249 0.140 3.789 1.00 0.63 C ATOM 38 O ASP A 14 19.334 -0.476 4.342 1.00 0.59 O ATOM 39 CB ASP A 14 22.592 -0.696 3.746 1.00 0.93 C ATOM 40 CG ASP A 14 22.398 -1.370 5.091 1.00 1.74 C ATOM 41 OD1 ASP A 14 22.258 -2.613 5.127 1.00 1.88 O ATOM 42 OD2 ASP A 14 22.396 -0.665 6.121 1.00 2.69 O ATOM 0 H ASP A 14 22.469 0.385 1.523 1.00 0.79 H new ATOM 0 HA ASP A 14 20.920 -1.597 2.734 1.00 0.78 H new ATOM 0 HB2 ASP A 14 23.326 -1.255 3.165 1.00 0.93 H new ATOM 0 HB3 ASP A 14 23.000 0.303 3.898 1.00 0.93 H new ATOM 47 N ILE A 15 20.387 1.459 3.883 1.00 0.59 N ATOM 48 CA ILE A 15 19.457 2.254 4.667 1.00 0.50 C ATOM 49 C ILE A 15 18.061 2.185 4.065 1.00 0.39 C ATOM 50 O ILE A 15 17.075 2.126 4.788 1.00 0.35 O ATOM 51 CB ILE A 15 19.890 3.735 4.818 1.00 0.52 C ATOM 52 CG1 ILE A 15 19.025 4.415 5.876 1.00 0.50 C ATOM 53 CG2 ILE A 15 19.784 4.490 3.504 1.00 0.53 C ATOM 54 CD1 ILE A 15 19.471 4.143 7.296 1.00 0.58 C ATOM 0 H ILE A 15 21.128 1.993 3.429 1.00 0.59 H new ATOM 0 HA ILE A 15 19.455 1.821 5.667 1.00 0.50 H new ATOM 0 HB ILE A 15 20.936 3.750 5.125 1.00 0.52 H new ATOM 0 HG12 ILE A 15 19.033 5.491 5.702 1.00 0.50 H new ATOM 0 HG13 ILE A 15 17.994 4.081 5.759 1.00 0.50 H new ATOM 0 HG21 ILE A 15 20.096 5.524 3.652 1.00 0.53 H new ATOM 0 HG22 ILE A 15 20.428 4.019 2.761 1.00 0.53 H new ATOM 0 HG23 ILE A 15 18.752 4.469 3.155 1.00 0.53 H new ATOM 0 HD11 ILE A 15 18.808 4.659 7.991 1.00 0.58 H new ATOM 0 HD12 ILE A 15 19.435 3.071 7.489 1.00 0.58 H new ATOM 0 HD13 ILE A 15 20.491 4.503 7.432 1.00 0.58 H new ATOM 66 N ARG A 16 17.975 2.173 2.743 1.00 0.40 N ATOM 67 CA ARG A 16 16.693 2.103 2.078 1.00 0.34 C ATOM 68 C ARG A 16 16.033 0.763 2.330 1.00 0.29 C ATOM 69 O ARG A 16 14.872 0.709 2.713 1.00 0.24 O ATOM 70 CB ARG A 16 16.862 2.330 0.577 1.00 0.41 C ATOM 71 CG ARG A 16 15.630 1.998 -0.248 1.00 0.40 C ATOM 72 CD ARG A 16 15.934 2.093 -1.726 1.00 0.51 C ATOM 73 NE ARG A 16 16.089 3.477 -2.182 1.00 1.04 N ATOM 74 CZ ARG A 16 15.726 3.904 -3.396 1.00 1.14 C ATOM 75 NH1 ARG A 16 15.156 3.066 -4.257 1.00 0.97 N ATOM 76 NH2 ARG A 16 15.919 5.173 -3.744 1.00 1.88 N ATOM 0 H ARG A 16 18.778 2.211 2.116 1.00 0.40 H new ATOM 0 HA ARG A 16 16.053 2.886 2.484 1.00 0.34 H new ATOM 0 HB2 ARG A 16 17.129 3.373 0.407 1.00 0.41 H new ATOM 0 HB3 ARG A 16 17.697 1.726 0.222 1.00 0.41 H new ATOM 0 HG2 ARG A 16 15.285 0.993 -0.007 1.00 0.40 H new ATOM 0 HG3 ARG A 16 14.821 2.682 0.006 1.00 0.40 H new ATOM 0 HD2 ARG A 16 16.848 1.539 -1.942 1.00 0.51 H new ATOM 0 HD3 ARG A 16 15.132 1.616 -2.289 1.00 0.51 H new ATOM 0 HE ARG A 16 16.497 4.153 -1.537 1.00 1.04 H new ATOM 0 HH11 ARG A 16 14.995 2.094 -3.992 1.00 0.97 H new ATOM 0 HH12 ARG A 16 14.880 3.395 -5.182 1.00 0.97 H new ATOM 0 HH21 ARG A 16 16.345 5.824 -3.084 1.00 1.88 H new ATOM 0 HH22 ARG A 16 15.641 5.496 -4.671 1.00 1.88 H new ATOM 90 N MET A 17 16.780 -0.313 2.134 1.00 0.34 N ATOM 91 CA MET A 17 16.233 -1.648 2.307 1.00 0.35 C ATOM 92 C MET A 17 15.763 -1.869 3.740 1.00 0.31 C ATOM 93 O MET A 17 14.780 -2.562 3.971 1.00 0.31 O ATOM 94 CB MET A 17 17.252 -2.715 1.908 1.00 0.43 C ATOM 95 CG MET A 17 17.550 -2.737 0.417 1.00 0.50 C ATOM 96 SD MET A 17 18.676 -4.065 -0.049 1.00 0.63 S ATOM 97 CE MET A 17 18.810 -3.781 -1.813 1.00 1.78 C ATOM 0 H MET A 17 17.761 -0.288 1.857 1.00 0.34 H new ATOM 0 HA MET A 17 15.369 -1.737 1.648 1.00 0.35 H new ATOM 0 HB2 MET A 17 18.180 -2.543 2.454 1.00 0.43 H new ATOM 0 HB3 MET A 17 16.880 -3.694 2.211 1.00 0.43 H new ATOM 0 HG2 MET A 17 16.616 -2.848 -0.134 1.00 0.50 H new ATOM 0 HG3 MET A 17 17.982 -1.780 0.123 1.00 0.50 H new ATOM 0 HE1 MET A 17 19.791 -4.105 -2.160 1.00 1.78 H new ATOM 0 HE2 MET A 17 18.036 -4.346 -2.332 1.00 1.78 H new ATOM 0 HE3 MET A 17 18.685 -2.718 -2.021 1.00 1.78 H new ATOM 107 N LYS A 18 16.460 -1.285 4.705 1.00 0.31 N ATOM 108 CA LYS A 18 16.011 -1.366 6.086 1.00 0.32 C ATOM 109 C LYS A 18 14.830 -0.425 6.321 1.00 0.28 C ATOM 110 O LYS A 18 13.916 -0.740 7.075 1.00 0.31 O ATOM 111 CB LYS A 18 17.142 -1.039 7.069 1.00 0.39 C ATOM 112 CG LYS A 18 17.432 0.448 7.222 1.00 0.48 C ATOM 113 CD LYS A 18 18.342 0.728 8.405 1.00 0.64 C ATOM 114 CE LYS A 18 19.821 0.524 8.078 1.00 1.12 C ATOM 115 NZ LYS A 18 20.137 -0.859 7.634 1.00 1.61 N ATOM 0 H LYS A 18 17.322 -0.760 4.561 1.00 0.31 H new ATOM 0 HA LYS A 18 15.694 -2.393 6.266 1.00 0.32 H new ATOM 0 HB2 LYS A 18 16.888 -1.450 8.046 1.00 0.39 H new ATOM 0 HB3 LYS A 18 18.051 -1.542 6.739 1.00 0.39 H new ATOM 0 HG2 LYS A 18 17.896 0.823 6.310 1.00 0.48 H new ATOM 0 HG3 LYS A 18 16.495 0.990 7.349 1.00 0.48 H new ATOM 0 HD2 LYS A 18 18.187 1.753 8.741 1.00 0.64 H new ATOM 0 HD3 LYS A 18 18.065 0.076 9.233 1.00 0.64 H new ATOM 0 HE2 LYS A 18 20.114 1.225 7.297 1.00 1.12 H new ATOM 0 HE3 LYS A 18 20.417 0.761 8.959 1.00 1.12 H new ATOM 0 HZ1 LYS A 18 21.167 -1.004 7.656 1.00 1.61 H new ATOM 0 HZ2 LYS A 18 19.678 -1.541 8.271 1.00 1.61 H new ATOM 0 HZ3 LYS A 18 19.788 -1.001 6.665 1.00 1.61 H new ATOM 129 N LYS A 19 14.859 0.730 5.663 1.00 0.25 N ATOM 130 CA LYS A 19 13.856 1.762 5.878 1.00 0.24 C ATOM 131 C LYS A 19 12.525 1.356 5.262 1.00 0.19 C ATOM 132 O LYS A 19 11.464 1.599 5.833 1.00 0.22 O ATOM 133 CB LYS A 19 14.320 3.093 5.287 1.00 0.27 C ATOM 134 CG LYS A 19 14.194 4.277 6.237 1.00 0.33 C ATOM 135 CD LYS A 19 12.771 4.459 6.734 1.00 0.38 C ATOM 136 CE LYS A 19 12.635 5.687 7.622 1.00 0.47 C ATOM 137 NZ LYS A 19 13.497 5.610 8.833 1.00 0.99 N ATOM 0 H LYS A 19 15.571 0.973 4.974 1.00 0.25 H new ATOM 0 HA LYS A 19 13.721 1.882 6.953 1.00 0.24 H new ATOM 0 HB2 LYS A 19 15.361 2.998 4.980 1.00 0.27 H new ATOM 0 HB3 LYS A 19 13.740 3.300 4.388 1.00 0.27 H new ATOM 0 HG2 LYS A 19 14.859 4.131 7.088 1.00 0.33 H new ATOM 0 HG3 LYS A 19 14.520 5.185 5.730 1.00 0.33 H new ATOM 0 HD2 LYS A 19 12.097 4.550 5.882 1.00 0.38 H new ATOM 0 HD3 LYS A 19 12.464 3.573 7.290 1.00 0.38 H new ATOM 0 HE2 LYS A 19 12.896 6.577 7.049 1.00 0.47 H new ATOM 0 HE3 LYS A 19 11.594 5.798 7.927 1.00 0.47 H new ATOM 0 HZ1 LYS A 19 13.271 6.400 9.471 1.00 0.99 H new ATOM 0 HZ2 LYS A 19 13.327 4.709 9.324 1.00 0.99 H new ATOM 0 HZ3 LYS A 19 14.497 5.668 8.552 1.00 0.99 H new ATOM 151 N VAL A 20 12.590 0.735 4.092 1.00 0.16 N ATOM 152 CA VAL A 20 11.396 0.237 3.431 1.00 0.15 C ATOM 153 C VAL A 20 10.752 -0.859 4.264 1.00 0.17 C ATOM 154 O VAL A 20 9.544 -1.013 4.245 1.00 0.19 O ATOM 155 CB VAL A 20 11.672 -0.282 2.005 1.00 0.17 C ATOM 156 CG1 VAL A 20 12.167 0.842 1.110 1.00 0.18 C ATOM 157 CG2 VAL A 20 12.668 -1.425 2.021 1.00 0.21 C ATOM 0 H VAL A 20 13.457 0.565 3.583 1.00 0.16 H new ATOM 0 HA VAL A 20 10.714 1.082 3.338 1.00 0.15 H new ATOM 0 HB VAL A 20 10.733 -0.659 1.600 1.00 0.17 H new ATOM 0 HG11 VAL A 20 12.355 0.454 0.109 1.00 0.18 H new ATOM 0 HG12 VAL A 20 11.411 1.626 1.059 1.00 0.18 H new ATOM 0 HG13 VAL A 20 13.090 1.253 1.519 1.00 0.18 H new ATOM 0 HG21 VAL A 20 12.843 -1.770 1.002 1.00 0.21 H new ATOM 0 HG22 VAL A 20 13.608 -1.083 2.454 1.00 0.21 H new ATOM 0 HG23 VAL A 20 12.271 -2.245 2.619 1.00 0.21 H new ATOM 167 N MET A 21 11.570 -1.619 4.991 1.00 0.19 N ATOM 168 CA MET A 21 11.061 -2.631 5.912 1.00 0.25 C ATOM 169 C MET A 21 10.294 -1.970 7.054 1.00 0.25 C ATOM 170 O MET A 21 9.301 -2.507 7.549 1.00 0.27 O ATOM 171 CB MET A 21 12.208 -3.478 6.467 1.00 0.38 C ATOM 172 CG MET A 21 12.845 -4.391 5.434 1.00 1.02 C ATOM 173 SD MET A 21 11.680 -5.576 4.732 1.00 2.01 S ATOM 174 CE MET A 21 12.725 -6.376 3.519 1.00 2.72 C ATOM 0 H MET A 21 12.587 -1.552 4.959 1.00 0.19 H new ATOM 0 HA MET A 21 10.382 -3.284 5.364 1.00 0.25 H new ATOM 0 HB2 MET A 21 12.972 -2.817 6.876 1.00 0.38 H new ATOM 0 HB3 MET A 21 11.835 -4.083 7.293 1.00 0.38 H new ATOM 0 HG2 MET A 21 13.267 -3.785 4.632 1.00 1.02 H new ATOM 0 HG3 MET A 21 13.672 -4.931 5.895 1.00 1.02 H new ATOM 0 HE1 MET A 21 12.153 -7.141 2.994 1.00 2.72 H new ATOM 0 HE2 MET A 21 13.084 -5.636 2.804 1.00 2.72 H new ATOM 0 HE3 MET A 21 13.575 -6.839 4.020 1.00 2.72 H new ATOM 184 N GLN A 22 10.756 -0.791 7.457 1.00 0.26 N ATOM 185 CA GLN A 22 10.075 -0.006 8.481 1.00 0.29 C ATOM 186 C GLN A 22 8.719 0.445 7.952 1.00 0.26 C ATOM 187 O GLN A 22 7.698 0.325 8.631 1.00 0.31 O ATOM 188 CB GLN A 22 10.918 1.214 8.868 1.00 0.33 C ATOM 189 CG GLN A 22 12.380 0.882 9.099 1.00 0.40 C ATOM 190 CD GLN A 22 13.239 2.106 9.351 1.00 0.60 C ATOM 191 OE1 GLN A 22 12.793 3.082 9.956 1.00 1.05 O ATOM 192 NE2 GLN A 22 14.459 2.097 8.829 1.00 0.52 N ATOM 0 H GLN A 22 11.602 -0.357 7.089 1.00 0.26 H new ATOM 0 HA GLN A 22 9.934 -0.623 9.368 1.00 0.29 H new ATOM 0 HB2 GLN A 22 10.843 1.964 8.081 1.00 0.33 H new ATOM 0 HB3 GLN A 22 10.506 1.660 9.773 1.00 0.33 H new ATOM 0 HG2 GLN A 22 12.462 0.207 9.951 1.00 0.40 H new ATOM 0 HG3 GLN A 22 12.766 0.348 8.231 1.00 0.40 H new ATOM 0 HE21 GLN A 22 14.796 1.271 8.334 1.00 0.52 H new ATOM 0 HE22 GLN A 22 15.060 2.916 8.923 1.00 0.52 H new ATOM 201 N TYR A 23 8.720 0.949 6.724 1.00 0.20 N ATOM 202 CA TYR A 23 7.488 1.347 6.058 1.00 0.19 C ATOM 203 C TYR A 23 6.625 0.127 5.758 1.00 0.17 C ATOM 204 O TYR A 23 5.402 0.205 5.763 1.00 0.18 O ATOM 205 CB TYR A 23 7.788 2.088 4.754 1.00 0.17 C ATOM 206 CG TYR A 23 8.385 3.463 4.946 1.00 0.21 C ATOM 207 CD1 TYR A 23 9.656 3.768 4.477 1.00 0.24 C ATOM 208 CD2 TYR A 23 7.667 4.460 5.586 1.00 0.26 C ATOM 209 CE1 TYR A 23 10.194 5.028 4.643 1.00 0.29 C ATOM 210 CE2 TYR A 23 8.199 5.722 5.759 1.00 0.31 C ATOM 211 CZ TYR A 23 9.462 6.001 5.285 1.00 0.32 C ATOM 212 OH TYR A 23 9.992 7.260 5.451 1.00 0.38 O ATOM 0 H TYR A 23 9.563 1.092 6.169 1.00 0.20 H new ATOM 0 HA TYR A 23 6.948 2.015 6.729 1.00 0.19 H new ATOM 0 HB2 TYR A 23 8.474 1.487 4.157 1.00 0.17 H new ATOM 0 HB3 TYR A 23 6.865 2.182 4.182 1.00 0.17 H new ATOM 0 HD1 TYR A 23 10.233 3.006 3.974 1.00 0.24 H new ATOM 0 HD2 TYR A 23 6.675 4.246 5.956 1.00 0.26 H new ATOM 0 HE1 TYR A 23 11.184 5.249 4.271 1.00 0.29 H new ATOM 0 HE2 TYR A 23 7.628 6.487 6.264 1.00 0.31 H new ATOM 0 HH TYR A 23 10.605 7.457 4.712 1.00 0.38 H new ATOM 222 N ARG A 24 7.285 -0.993 5.507 1.00 0.17 N ATOM 223 CA ARG A 24 6.625 -2.234 5.129 1.00 0.17 C ATOM 224 C ARG A 24 5.677 -2.695 6.220 1.00 0.17 C ATOM 225 O ARG A 24 4.570 -3.138 5.940 1.00 0.19 O ATOM 226 CB ARG A 24 7.675 -3.311 4.843 1.00 0.18 C ATOM 227 CG ARG A 24 7.138 -4.534 4.121 1.00 0.21 C ATOM 228 CD ARG A 24 8.270 -5.351 3.519 1.00 0.25 C ATOM 229 NE ARG A 24 7.776 -6.461 2.711 1.00 0.33 N ATOM 230 CZ ARG A 24 8.309 -7.680 2.721 1.00 0.47 C ATOM 231 NH1 ARG A 24 9.320 -7.958 3.535 1.00 0.57 N ATOM 232 NH2 ARG A 24 7.823 -8.620 1.924 1.00 0.57 N ATOM 0 H ARG A 24 8.301 -1.067 5.560 1.00 0.17 H new ATOM 0 HA ARG A 24 6.039 -2.058 4.227 1.00 0.17 H new ATOM 0 HB2 ARG A 24 8.474 -2.873 4.245 1.00 0.18 H new ATOM 0 HB3 ARG A 24 8.120 -3.627 5.786 1.00 0.18 H new ATOM 0 HG2 ARG A 24 6.569 -5.151 4.817 1.00 0.21 H new ATOM 0 HG3 ARG A 24 6.450 -4.224 3.334 1.00 0.21 H new ATOM 0 HD2 ARG A 24 8.895 -4.705 2.903 1.00 0.25 H new ATOM 0 HD3 ARG A 24 8.902 -5.738 4.318 1.00 0.25 H new ATOM 0 HE ARG A 24 6.975 -6.292 2.103 1.00 0.33 H new ATOM 0 HH11 ARG A 24 9.689 -7.237 4.154 1.00 0.57 H new ATOM 0 HH12 ARG A 24 9.727 -8.893 3.541 1.00 0.57 H new ATOM 0 HH21 ARG A 24 7.041 -8.409 1.304 1.00 0.57 H new ATOM 0 HH22 ARG A 24 8.231 -9.555 1.931 1.00 0.57 H new ATOM 246 N ARG A 25 6.110 -2.570 7.466 1.00 0.18 N ATOM 247 CA ARG A 25 5.272 -2.930 8.600 1.00 0.18 C ATOM 248 C ARG A 25 4.082 -1.985 8.709 1.00 0.17 C ATOM 249 O ARG A 25 2.979 -2.396 9.061 1.00 0.20 O ATOM 250 CB ARG A 25 6.078 -2.904 9.893 1.00 0.22 C ATOM 251 CG ARG A 25 7.203 -3.923 9.917 1.00 0.32 C ATOM 252 CD ARG A 25 7.766 -4.096 11.313 1.00 0.73 C ATOM 253 NE ARG A 25 8.813 -5.116 11.354 1.00 1.44 N ATOM 254 CZ ARG A 25 8.968 -5.988 12.349 1.00 2.11 C ATOM 255 NH1 ARG A 25 8.131 -5.985 13.380 1.00 2.44 N ATOM 256 NH2 ARG A 25 9.955 -6.874 12.309 1.00 2.87 N ATOM 0 H ARG A 25 7.036 -2.222 7.717 1.00 0.18 H new ATOM 0 HA ARG A 25 4.902 -3.942 8.439 1.00 0.18 H new ATOM 0 HB2 ARG A 25 6.496 -1.907 10.033 1.00 0.22 H new ATOM 0 HB3 ARG A 25 5.410 -3.090 10.734 1.00 0.22 H new ATOM 0 HG2 ARG A 25 6.835 -4.881 9.551 1.00 0.32 H new ATOM 0 HG3 ARG A 25 7.997 -3.606 9.240 1.00 0.32 H new ATOM 0 HD2 ARG A 25 8.170 -3.146 11.662 1.00 0.73 H new ATOM 0 HD3 ARG A 25 6.963 -4.371 11.997 1.00 0.73 H new ATOM 0 HE ARG A 25 9.466 -5.163 10.572 1.00 1.44 H new ATOM 0 HH11 ARG A 25 7.365 -5.313 13.413 1.00 2.44 H new ATOM 0 HH12 ARG A 25 8.254 -6.655 14.139 1.00 2.44 H new ATOM 0 HH21 ARG A 25 10.596 -6.888 11.516 1.00 2.87 H new ATOM 0 HH22 ARG A 25 10.073 -7.541 13.072 1.00 2.87 H new ATOM 270 N ALA A 26 4.313 -0.723 8.377 1.00 0.17 N ATOM 271 CA ALA A 26 3.275 0.295 8.455 1.00 0.19 C ATOM 272 C ALA A 26 2.339 0.218 7.252 1.00 0.19 C ATOM 273 O ALA A 26 1.244 0.780 7.265 1.00 0.28 O ATOM 274 CB ALA A 26 3.908 1.671 8.550 1.00 0.23 C ATOM 0 H ALA A 26 5.215 -0.378 8.049 1.00 0.17 H new ATOM 0 HA ALA A 26 2.681 0.114 9.351 1.00 0.19 H new ATOM 0 HB1 ALA A 26 3.126 2.428 8.608 1.00 0.23 H new ATOM 0 HB2 ALA A 26 4.531 1.724 9.443 1.00 0.23 H new ATOM 0 HB3 ALA A 26 4.522 1.851 7.668 1.00 0.23 H new ATOM 280 N LEU A 27 2.790 -0.458 6.207 1.00 0.15 N ATOM 281 CA LEU A 27 1.986 -0.668 5.016 1.00 0.15 C ATOM 282 C LEU A 27 1.305 -2.032 5.068 1.00 0.17 C ATOM 283 O LEU A 27 0.316 -2.269 4.378 1.00 0.21 O ATOM 284 CB LEU A 27 2.857 -0.542 3.761 1.00 0.15 C ATOM 285 CG LEU A 27 2.930 0.860 3.123 1.00 0.15 C ATOM 286 CD1 LEU A 27 2.866 1.966 4.168 1.00 0.15 C ATOM 287 CD2 LEU A 27 4.209 0.994 2.315 1.00 0.16 C ATOM 0 H LEU A 27 3.720 -0.875 6.162 1.00 0.15 H new ATOM 0 HA LEU A 27 1.211 0.098 4.975 1.00 0.15 H new ATOM 0 HB2 LEU A 27 3.870 -0.857 4.013 1.00 0.15 H new ATOM 0 HB3 LEU A 27 2.483 -1.240 3.012 1.00 0.15 H new ATOM 0 HG LEU A 27 2.064 0.969 2.470 1.00 0.15 H new ATOM 0 HD11 LEU A 27 2.921 2.936 3.675 1.00 0.15 H new ATOM 0 HD12 LEU A 27 1.929 1.892 4.720 1.00 0.15 H new ATOM 0 HD13 LEU A 27 3.703 1.863 4.859 1.00 0.15 H new ATOM 0 HD21 LEU A 27 4.254 1.987 1.867 1.00 0.16 H new ATOM 0 HD22 LEU A 27 5.069 0.852 2.969 1.00 0.16 H new ATOM 0 HD23 LEU A 27 4.223 0.240 1.528 1.00 0.16 H new ATOM 299 N THR A 28 1.832 -2.926 5.891 1.00 0.17 N ATOM 300 CA THR A 28 1.187 -4.208 6.122 1.00 0.15 C ATOM 301 C THR A 28 -0.004 -4.008 7.051 1.00 0.17 C ATOM 302 O THR A 28 0.158 -3.755 8.245 1.00 0.19 O ATOM 303 CB THR A 28 2.166 -5.237 6.723 1.00 0.17 C ATOM 304 OG1 THR A 28 3.285 -5.416 5.841 1.00 0.20 O ATOM 305 CG2 THR A 28 1.482 -6.577 6.949 1.00 0.20 C ATOM 0 H THR A 28 2.701 -2.788 6.408 1.00 0.17 H new ATOM 0 HA THR A 28 0.849 -4.602 5.164 1.00 0.15 H new ATOM 0 HB THR A 28 2.509 -4.857 7.685 1.00 0.17 H new ATOM 0 HG1 THR A 28 3.920 -4.680 5.965 1.00 0.20 H new ATOM 0 HG21 THR A 28 2.196 -7.283 7.373 1.00 0.20 H new ATOM 0 HG22 THR A 28 0.647 -6.448 7.637 1.00 0.20 H new ATOM 0 HG23 THR A 28 1.113 -6.962 5.998 1.00 0.20 H new ATOM 313 N LYS A 29 -1.199 -4.101 6.490 1.00 0.17 N ATOM 314 CA LYS A 29 -2.409 -3.765 7.217 1.00 0.22 C ATOM 315 C LYS A 29 -3.586 -4.559 6.683 1.00 0.19 C ATOM 316 O LYS A 29 -3.473 -5.248 5.673 1.00 0.18 O ATOM 317 CB LYS A 29 -2.713 -2.273 7.067 1.00 0.31 C ATOM 318 CG LYS A 29 -3.128 -1.600 8.363 1.00 0.61 C ATOM 319 CD LYS A 29 -1.927 -1.328 9.256 1.00 0.72 C ATOM 320 CE LYS A 29 -1.154 -0.103 8.793 1.00 0.44 C ATOM 321 NZ LYS A 29 -1.988 1.127 8.830 1.00 0.79 N ATOM 0 H LYS A 29 -1.355 -4.408 5.530 1.00 0.17 H new ATOM 0 HA LYS A 29 -2.253 -4.008 8.268 1.00 0.22 H new ATOM 0 HB2 LYS A 29 -1.830 -1.769 6.673 1.00 0.31 H new ATOM 0 HB3 LYS A 29 -3.507 -2.145 6.331 1.00 0.31 H new ATOM 0 HG2 LYS A 29 -3.638 -0.663 8.141 1.00 0.61 H new ATOM 0 HG3 LYS A 29 -3.841 -2.233 8.892 1.00 0.61 H new ATOM 0 HD2 LYS A 29 -2.262 -1.182 10.283 1.00 0.72 H new ATOM 0 HD3 LYS A 29 -1.268 -2.196 9.256 1.00 0.72 H new ATOM 0 HE2 LYS A 29 -0.278 0.034 9.427 1.00 0.44 H new ATOM 0 HE3 LYS A 29 -0.791 -0.265 7.778 1.00 0.44 H new ATOM 0 HZ1 LYS A 29 -1.396 1.940 9.096 1.00 0.79 H new ATOM 0 HZ2 LYS A 29 -2.403 1.293 7.891 1.00 0.79 H new ATOM 0 HZ3 LYS A 29 -2.749 1.010 9.529 1.00 0.79 H new ATOM 335 N VAL A 30 -4.711 -4.455 7.363 1.00 0.22 N ATOM 336 CA VAL A 30 -5.956 -5.005 6.863 1.00 0.22 C ATOM 337 C VAL A 30 -6.890 -3.864 6.490 1.00 0.19 C ATOM 338 O VAL A 30 -7.125 -2.956 7.288 1.00 0.23 O ATOM 339 CB VAL A 30 -6.637 -5.954 7.878 1.00 0.30 C ATOM 340 CG1 VAL A 30 -5.850 -7.250 7.998 1.00 0.81 C ATOM 341 CG2 VAL A 30 -6.777 -5.293 9.241 1.00 1.03 C ATOM 0 H VAL A 30 -4.788 -3.992 8.268 1.00 0.22 H new ATOM 0 HA VAL A 30 -5.728 -5.606 5.983 1.00 0.22 H new ATOM 0 HB VAL A 30 -7.637 -6.180 7.509 1.00 0.30 H new ATOM 0 HG11 VAL A 30 -6.340 -7.908 8.715 1.00 0.81 H new ATOM 0 HG12 VAL A 30 -5.807 -7.741 7.026 1.00 0.81 H new ATOM 0 HG13 VAL A 30 -4.838 -7.031 8.339 1.00 0.81 H new ATOM 0 HG21 VAL A 30 -7.259 -5.984 9.933 1.00 1.03 H new ATOM 0 HG22 VAL A 30 -5.790 -5.029 9.620 1.00 1.03 H new ATOM 0 HG23 VAL A 30 -7.383 -4.392 9.148 1.00 1.03 H new ATOM 351 N VAL A 31 -7.386 -3.893 5.266 1.00 0.16 N ATOM 352 CA VAL A 31 -8.167 -2.792 4.731 1.00 0.15 C ATOM 353 C VAL A 31 -9.134 -3.296 3.663 1.00 0.15 C ATOM 354 O VAL A 31 -8.848 -4.257 2.966 1.00 0.18 O ATOM 355 CB VAL A 31 -7.223 -1.706 4.149 1.00 0.18 C ATOM 356 CG1 VAL A 31 -7.668 -1.243 2.773 1.00 0.18 C ATOM 357 CG2 VAL A 31 -7.118 -0.522 5.098 1.00 0.26 C ATOM 0 H VAL A 31 -7.261 -4.672 4.620 1.00 0.16 H new ATOM 0 HA VAL A 31 -8.752 -2.348 5.537 1.00 0.15 H new ATOM 0 HB VAL A 31 -6.238 -2.160 4.039 1.00 0.18 H new ATOM 0 HG11 VAL A 31 -6.979 -0.483 2.404 1.00 0.18 H new ATOM 0 HG12 VAL A 31 -7.674 -2.091 2.088 1.00 0.18 H new ATOM 0 HG13 VAL A 31 -8.671 -0.822 2.838 1.00 0.18 H new ATOM 0 HG21 VAL A 31 -6.452 0.228 4.672 1.00 0.26 H new ATOM 0 HG22 VAL A 31 -8.106 -0.087 5.247 1.00 0.26 H new ATOM 0 HG23 VAL A 31 -6.721 -0.858 6.056 1.00 0.26 H new ATOM 367 N LYS A 32 -10.271 -2.647 3.534 1.00 0.14 N ATOM 368 CA LYS A 32 -11.265 -3.055 2.564 1.00 0.13 C ATOM 369 C LYS A 32 -11.220 -2.139 1.348 1.00 0.12 C ATOM 370 O LYS A 32 -11.398 -0.927 1.459 1.00 0.14 O ATOM 371 CB LYS A 32 -12.651 -3.047 3.219 1.00 0.14 C ATOM 372 CG LYS A 32 -13.717 -3.787 2.428 1.00 0.15 C ATOM 373 CD LYS A 32 -14.455 -2.864 1.478 1.00 0.26 C ATOM 374 CE LYS A 32 -15.619 -3.572 0.805 1.00 0.28 C ATOM 375 NZ LYS A 32 -16.626 -4.045 1.790 1.00 0.67 N ATOM 0 H LYS A 32 -10.531 -1.832 4.090 1.00 0.14 H new ATOM 0 HA LYS A 32 -11.051 -4.068 2.223 1.00 0.13 H new ATOM 0 HB2 LYS A 32 -12.575 -3.493 4.211 1.00 0.14 H new ATOM 0 HB3 LYS A 32 -12.969 -2.014 3.358 1.00 0.14 H new ATOM 0 HG2 LYS A 32 -13.254 -4.596 1.863 1.00 0.15 H new ATOM 0 HG3 LYS A 32 -14.428 -4.245 3.116 1.00 0.15 H new ATOM 0 HD2 LYS A 32 -14.823 -1.996 2.025 1.00 0.26 H new ATOM 0 HD3 LYS A 32 -13.765 -2.494 0.719 1.00 0.26 H new ATOM 0 HE2 LYS A 32 -16.095 -2.894 0.096 1.00 0.28 H new ATOM 0 HE3 LYS A 32 -15.245 -4.421 0.232 1.00 0.28 H new ATOM 0 HZ1 LYS A 32 -17.524 -4.240 1.302 1.00 0.67 H new ATOM 0 HZ2 LYS A 32 -16.283 -4.915 2.246 1.00 0.67 H new ATOM 0 HZ3 LYS A 32 -16.777 -3.312 2.512 1.00 0.67 H new ATOM 389 N LEU A 33 -10.968 -2.727 0.187 1.00 0.12 N ATOM 390 CA LEU A 33 -10.886 -1.961 -1.052 1.00 0.13 C ATOM 391 C LEU A 33 -12.257 -1.797 -1.676 1.00 0.14 C ATOM 392 O LEU A 33 -13.100 -2.688 -1.578 1.00 0.16 O ATOM 393 CB LEU A 33 -9.944 -2.626 -2.057 1.00 0.16 C ATOM 394 CG LEU A 33 -8.461 -2.330 -1.854 1.00 0.18 C ATOM 395 CD1 LEU A 33 -7.613 -3.181 -2.786 1.00 0.21 C ATOM 396 CD2 LEU A 33 -8.194 -0.854 -2.097 1.00 0.18 C ATOM 0 H LEU A 33 -10.817 -3.730 0.075 1.00 0.12 H new ATOM 0 HA LEU A 33 -10.488 -0.979 -0.799 1.00 0.13 H new ATOM 0 HB2 LEU A 33 -10.092 -3.705 -2.010 1.00 0.16 H new ATOM 0 HB3 LEU A 33 -10.227 -2.309 -3.061 1.00 0.16 H new ATOM 0 HG LEU A 33 -8.191 -2.577 -0.827 1.00 0.18 H new ATOM 0 HD11 LEU A 33 -6.559 -2.955 -2.626 1.00 0.21 H new ATOM 0 HD12 LEU A 33 -7.794 -4.236 -2.580 1.00 0.21 H new ATOM 0 HD13 LEU A 33 -7.878 -2.962 -3.820 1.00 0.21 H new ATOM 0 HD21 LEU A 33 -7.134 -0.647 -1.951 1.00 0.18 H new ATOM 0 HD22 LEU A 33 -8.477 -0.596 -3.118 1.00 0.18 H new ATOM 0 HD23 LEU A 33 -8.780 -0.258 -1.397 1.00 0.18 H new ATOM 408 N LYS A 34 -12.476 -0.657 -2.318 1.00 0.15 N ATOM 409 CA LYS A 34 -13.747 -0.380 -2.984 1.00 0.19 C ATOM 410 C LYS A 34 -13.497 0.449 -4.229 1.00 0.21 C ATOM 411 O LYS A 34 -13.181 1.632 -4.132 1.00 0.23 O ATOM 412 CB LYS A 34 -14.703 0.398 -2.074 1.00 0.22 C ATOM 413 CG LYS A 34 -14.767 -0.110 -0.646 1.00 0.23 C ATOM 414 CD LYS A 34 -15.822 0.615 0.184 1.00 0.47 C ATOM 415 CE LYS A 34 -15.627 2.128 0.188 1.00 0.45 C ATOM 416 NZ LYS A 34 -16.358 2.800 -0.920 1.00 0.84 N ATOM 0 H LYS A 34 -11.790 0.094 -2.393 1.00 0.15 H new ATOM 0 HA LYS A 34 -14.202 -1.338 -3.237 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -14.400 1.445 -2.060 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.704 0.362 -2.504 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -14.985 -1.178 -0.653 1.00 0.23 H new ATOM 0 HG3 LYS A 34 -13.791 0.013 -0.176 1.00 0.23 H new ATOM 0 HD2 LYS A 34 -16.812 0.381 -0.208 1.00 0.47 H new ATOM 0 HD3 LYS A 34 -15.790 0.245 1.209 1.00 0.47 H new ATOM 0 HE2 LYS A 34 -15.967 2.532 1.141 1.00 0.45 H new ATOM 0 HE3 LYS A 34 -14.564 2.354 0.107 1.00 0.45 H new ATOM 0 HZ1 LYS A 34 -15.707 3.426 -1.436 1.00 0.84 H new ATOM 0 HZ2 LYS A 34 -16.737 2.083 -1.571 1.00 0.84 H new ATOM 0 HZ3 LYS A 34 -17.141 3.361 -0.529 1.00 0.84 H new ATOM 430 N THR A 35 -13.606 -0.169 -5.388 1.00 0.23 N ATOM 431 CA THR A 35 -13.389 0.537 -6.636 1.00 0.26 C ATOM 432 C THR A 35 -13.818 -0.331 -7.825 1.00 0.28 C ATOM 433 O THR A 35 -14.463 -1.364 -7.633 1.00 0.28 O ATOM 434 CB THR A 35 -11.908 0.993 -6.745 1.00 0.27 C ATOM 435 OG1 THR A 35 -11.634 1.602 -8.012 1.00 0.34 O ATOM 436 CG2 THR A 35 -10.954 -0.168 -6.510 1.00 0.27 C ATOM 0 H THR A 35 -13.843 -1.156 -5.492 1.00 0.23 H new ATOM 0 HA THR A 35 -14.008 1.434 -6.654 1.00 0.26 H new ATOM 0 HB THR A 35 -11.749 1.739 -5.966 1.00 0.27 H new ATOM 0 HG1 THR A 35 -10.817 2.140 -7.947 1.00 0.34 H new ATOM 0 HG21 THR A 35 -9.926 0.184 -6.593 1.00 0.27 H new ATOM 0 HG22 THR A 35 -11.118 -0.578 -5.513 1.00 0.27 H new ATOM 0 HG23 THR A 35 -11.134 -0.943 -7.255 1.00 0.27 H new ATOM 444 N HIS A 36 -13.461 0.078 -9.040 1.00 0.33 N ATOM 445 CA HIS A 36 -13.779 -0.692 -10.244 1.00 0.38 C ATOM 446 C HIS A 36 -13.020 -2.015 -10.240 1.00 0.34 C ATOM 447 O HIS A 36 -13.345 -2.941 -10.982 1.00 0.37 O ATOM 448 CB HIS A 36 -13.436 0.104 -11.505 1.00 0.48 C ATOM 449 CG HIS A 36 -14.275 1.331 -11.696 1.00 1.31 C ATOM 450 ND1 HIS A 36 -13.774 2.613 -11.604 1.00 2.07 N ATOM 451 CD2 HIS A 36 -15.592 1.467 -11.989 1.00 2.25 C ATOM 452 CE1 HIS A 36 -14.743 3.480 -11.829 1.00 2.94 C ATOM 453 NE2 HIS A 36 -15.854 2.811 -12.065 1.00 3.02 N ATOM 0 H HIS A 36 -12.949 0.942 -9.219 1.00 0.33 H new ATOM 0 HA HIS A 36 -14.850 -0.896 -10.245 1.00 0.38 H new ATOM 0 HB2 HIS A 36 -12.387 0.396 -11.464 1.00 0.48 H new ATOM 0 HB3 HIS A 36 -13.553 -0.543 -12.374 1.00 0.48 H new ATOM 0 HD2 HIS A 36 -16.302 0.666 -12.135 1.00 2.25 H new ATOM 0 HE1 HIS A 36 -14.643 4.555 -11.821 1.00 2.94 H new ATOM 0 HE2 HIS A 36 -16.763 3.226 -12.271 1.00 3.02 H new ATOM 462 N LEU A 37 -12.004 -2.082 -9.394 1.00 0.32 N ATOM 463 CA LEU A 37 -11.262 -3.311 -9.162 1.00 0.33 C ATOM 464 C LEU A 37 -12.187 -4.336 -8.518 1.00 0.31 C ATOM 465 O LEU A 37 -12.461 -5.389 -9.093 1.00 0.36 O ATOM 466 CB LEU A 37 -10.078 -3.018 -8.233 1.00 0.38 C ATOM 467 CG LEU A 37 -9.109 -4.171 -7.983 1.00 0.46 C ATOM 468 CD1 LEU A 37 -8.264 -4.443 -9.218 1.00 1.00 C ATOM 469 CD2 LEU A 37 -8.233 -3.865 -6.774 1.00 0.32 C ATOM 0 H LEU A 37 -11.671 -1.287 -8.849 1.00 0.32 H new ATOM 0 HA LEU A 37 -10.887 -3.706 -10.106 1.00 0.33 H new ATOM 0 HB2 LEU A 37 -9.515 -2.183 -8.650 1.00 0.38 H new ATOM 0 HB3 LEU A 37 -10.472 -2.688 -7.272 1.00 0.38 H new ATOM 0 HG LEU A 37 -9.684 -5.072 -7.771 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -7.581 -5.268 -9.017 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -8.914 -4.705 -10.053 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -7.691 -3.551 -9.470 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.545 -4.693 -6.604 1.00 0.32 H new ATOM 0 HD22 LEU A 37 -7.664 -2.953 -6.958 1.00 0.32 H new ATOM 0 HD23 LEU A 37 -8.862 -3.729 -5.894 1.00 0.32 H new ATOM 481 N PHE A 38 -12.679 -3.989 -7.332 1.00 0.26 N ATOM 482 CA PHE A 38 -13.644 -4.798 -6.594 1.00 0.26 C ATOM 483 C PHE A 38 -13.939 -4.126 -5.262 1.00 0.23 C ATOM 484 O PHE A 38 -13.408 -3.050 -4.975 1.00 0.22 O ATOM 485 CB PHE A 38 -13.127 -6.230 -6.353 1.00 0.27 C ATOM 486 CG PHE A 38 -11.793 -6.313 -5.655 1.00 0.32 C ATOM 487 CD1 PHE A 38 -10.662 -6.696 -6.353 1.00 0.73 C ATOM 488 CD2 PHE A 38 -11.671 -6.011 -4.308 1.00 0.67 C ATOM 489 CE1 PHE A 38 -9.436 -6.776 -5.723 1.00 0.82 C ATOM 490 CE2 PHE A 38 -10.448 -6.088 -3.674 1.00 0.71 C ATOM 491 CZ PHE A 38 -9.330 -6.469 -4.381 1.00 0.55 C ATOM 0 H PHE A 38 -12.416 -3.129 -6.851 1.00 0.26 H new ATOM 0 HA PHE A 38 -14.553 -4.874 -7.190 1.00 0.26 H new ATOM 0 HB2 PHE A 38 -13.865 -6.773 -5.762 1.00 0.27 H new ATOM 0 HB3 PHE A 38 -13.051 -6.740 -7.313 1.00 0.27 H new ATOM 0 HD1 PHE A 38 -10.739 -6.935 -7.403 1.00 0.73 H new ATOM 0 HD2 PHE A 38 -12.544 -5.712 -3.747 1.00 0.67 H new ATOM 0 HE1 PHE A 38 -8.561 -7.078 -6.279 1.00 0.82 H new ATOM 0 HE2 PHE A 38 -10.368 -5.850 -2.624 1.00 0.71 H new ATOM 0 HZ PHE A 38 -8.372 -6.528 -3.887 1.00 0.55 H new ATOM 501 N SER A 39 -14.783 -4.754 -4.464 1.00 0.23 N ATOM 502 CA SER A 39 -15.005 -4.319 -3.099 1.00 0.22 C ATOM 503 C SER A 39 -14.886 -5.517 -2.160 1.00 0.22 C ATOM 504 O SER A 39 -15.825 -6.294 -2.015 1.00 0.28 O ATOM 505 CB SER A 39 -16.384 -3.667 -2.972 1.00 0.27 C ATOM 506 OG SER A 39 -17.385 -4.473 -3.575 1.00 0.34 O ATOM 0 H SER A 39 -15.328 -5.571 -4.740 1.00 0.23 H new ATOM 0 HA SER A 39 -14.253 -3.579 -2.825 1.00 0.22 H new ATOM 0 HB2 SER A 39 -16.622 -3.512 -1.920 1.00 0.27 H new ATOM 0 HB3 SER A 39 -16.370 -2.684 -3.443 1.00 0.27 H new ATOM 0 HG SER A 39 -17.265 -5.405 -3.298 1.00 0.34 H new ATOM 512 N GLU A 40 -13.733 -5.643 -1.516 1.00 0.20 N ATOM 513 CA GLU A 40 -13.439 -6.778 -0.641 1.00 0.24 C ATOM 514 C GLU A 40 -12.452 -6.352 0.433 1.00 0.18 C ATOM 515 O GLU A 40 -11.718 -5.380 0.260 1.00 0.15 O ATOM 516 CB GLU A 40 -12.829 -7.945 -1.432 1.00 0.33 C ATOM 517 CG GLU A 40 -13.778 -8.625 -2.411 1.00 0.47 C ATOM 518 CD GLU A 40 -14.887 -9.398 -1.724 1.00 1.15 C ATOM 519 OE1 GLU A 40 -14.587 -10.409 -1.055 1.00 1.45 O ATOM 520 OE2 GLU A 40 -16.068 -9.016 -1.865 1.00 2.08 O ATOM 0 H GLU A 40 -12.974 -4.964 -1.583 1.00 0.20 H new ATOM 0 HA GLU A 40 -14.376 -7.106 -0.191 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -11.964 -7.577 -1.984 1.00 0.33 H new ATOM 0 HB3 GLU A 40 -12.463 -8.691 -0.726 1.00 0.33 H new ATOM 0 HG2 GLU A 40 -14.219 -7.871 -3.064 1.00 0.47 H new ATOM 0 HG3 GLU A 40 -13.210 -9.304 -3.047 1.00 0.47 H new ATOM 527 N THR A 41 -12.437 -7.078 1.535 1.00 0.20 N ATOM 528 CA THR A 41 -11.489 -6.818 2.602 1.00 0.19 C ATOM 529 C THR A 41 -10.162 -7.493 2.282 1.00 0.18 C ATOM 530 O THR A 41 -10.081 -8.720 2.191 1.00 0.23 O ATOM 531 CB THR A 41 -12.013 -7.316 3.958 1.00 0.25 C ATOM 532 OG1 THR A 41 -13.303 -6.746 4.225 1.00 0.32 O ATOM 533 CG2 THR A 41 -11.051 -6.951 5.080 1.00 0.27 C ATOM 0 H THR A 41 -13.073 -7.855 1.715 1.00 0.20 H new ATOM 0 HA THR A 41 -11.349 -5.739 2.674 1.00 0.19 H new ATOM 0 HB THR A 41 -12.097 -8.402 3.912 1.00 0.25 H new ATOM 0 HG1 THR A 41 -13.631 -7.070 5.090 1.00 0.32 H new ATOM 0 HG21 THR A 41 -11.445 -7.314 6.029 1.00 0.27 H new ATOM 0 HG22 THR A 41 -10.080 -7.409 4.890 1.00 0.27 H new ATOM 0 HG23 THR A 41 -10.938 -5.868 5.125 1.00 0.27 H new ATOM 541 N VAL A 42 -9.134 -6.688 2.097 1.00 0.16 N ATOM 542 CA VAL A 42 -7.849 -7.181 1.656 1.00 0.16 C ATOM 543 C VAL A 42 -6.778 -6.894 2.702 1.00 0.16 C ATOM 544 O VAL A 42 -6.953 -6.040 3.571 1.00 0.23 O ATOM 545 CB VAL A 42 -7.449 -6.531 0.307 1.00 0.15 C ATOM 546 CG1 VAL A 42 -8.602 -6.612 -0.683 1.00 0.16 C ATOM 547 CG2 VAL A 42 -7.008 -5.085 0.497 1.00 0.15 C ATOM 0 H VAL A 42 -9.168 -5.680 2.248 1.00 0.16 H new ATOM 0 HA VAL A 42 -7.930 -8.259 1.519 1.00 0.16 H new ATOM 0 HB VAL A 42 -6.602 -7.087 -0.095 1.00 0.15 H new ATOM 0 HG11 VAL A 42 -8.305 -6.151 -1.625 1.00 0.16 H new ATOM 0 HG12 VAL A 42 -8.861 -7.657 -0.855 1.00 0.16 H new ATOM 0 HG13 VAL A 42 -9.467 -6.086 -0.278 1.00 0.16 H new ATOM 0 HG21 VAL A 42 -6.734 -4.658 -0.468 1.00 0.15 H new ATOM 0 HG22 VAL A 42 -7.826 -4.509 0.930 1.00 0.15 H new ATOM 0 HG23 VAL A 42 -6.148 -5.052 1.166 1.00 0.15 H new ATOM 557 N LYS A 43 -5.691 -7.628 2.643 1.00 0.13 N ATOM 558 CA LYS A 43 -4.542 -7.329 3.468 1.00 0.14 C ATOM 559 C LYS A 43 -3.490 -6.646 2.617 1.00 0.13 C ATOM 560 O LYS A 43 -3.046 -7.198 1.617 1.00 0.15 O ATOM 561 CB LYS A 43 -3.980 -8.601 4.103 1.00 0.17 C ATOM 562 CG LYS A 43 -2.755 -8.350 4.967 1.00 0.26 C ATOM 563 CD LYS A 43 -2.316 -9.601 5.707 1.00 0.34 C ATOM 564 CE LYS A 43 -1.896 -10.710 4.753 1.00 0.89 C ATOM 565 NZ LYS A 43 -1.395 -11.910 5.475 1.00 1.61 N ATOM 0 H LYS A 43 -5.578 -8.437 2.032 1.00 0.13 H new ATOM 0 HA LYS A 43 -4.844 -6.664 4.278 1.00 0.14 H new ATOM 0 HB2 LYS A 43 -4.755 -9.069 4.710 1.00 0.17 H new ATOM 0 HB3 LYS A 43 -3.722 -9.309 3.315 1.00 0.17 H new ATOM 0 HG2 LYS A 43 -1.937 -7.993 4.341 1.00 0.26 H new ATOM 0 HG3 LYS A 43 -2.974 -7.561 5.686 1.00 0.26 H new ATOM 0 HD2 LYS A 43 -1.485 -9.358 6.369 1.00 0.34 H new ATOM 0 HD3 LYS A 43 -3.132 -9.955 6.337 1.00 0.34 H new ATOM 0 HE2 LYS A 43 -2.744 -10.991 4.129 1.00 0.89 H new ATOM 0 HE3 LYS A 43 -1.118 -10.338 4.086 1.00 0.89 H new ATOM 0 HZ1 LYS A 43 -1.120 -12.640 4.787 1.00 1.61 H new ATOM 0 HZ2 LYS A 43 -0.569 -11.649 6.051 1.00 1.61 H new ATOM 0 HZ3 LYS A 43 -2.145 -12.282 6.093 1.00 1.61 H new ATOM 579 N VAL A 44 -3.087 -5.456 3.016 1.00 0.13 N ATOM 580 CA VAL A 44 -2.175 -4.660 2.216 1.00 0.14 C ATOM 581 C VAL A 44 -0.768 -4.757 2.776 1.00 0.15 C ATOM 582 O VAL A 44 -0.578 -5.125 3.935 1.00 0.19 O ATOM 583 CB VAL A 44 -2.591 -3.171 2.152 1.00 0.20 C ATOM 584 CG1 VAL A 44 -2.799 -2.739 0.709 1.00 0.35 C ATOM 585 CG2 VAL A 44 -3.847 -2.904 2.975 1.00 0.25 C ATOM 0 H VAL A 44 -3.377 -5.018 3.890 1.00 0.13 H new ATOM 0 HA VAL A 44 -2.209 -5.063 1.204 1.00 0.14 H new ATOM 0 HB VAL A 44 -1.781 -2.582 2.583 1.00 0.20 H new ATOM 0 HG11 VAL A 44 -3.091 -1.689 0.682 1.00 0.35 H new ATOM 0 HG12 VAL A 44 -1.871 -2.872 0.152 1.00 0.35 H new ATOM 0 HG13 VAL A 44 -3.584 -3.346 0.257 1.00 0.35 H new ATOM 0 HG21 VAL A 44 -4.109 -1.848 2.907 1.00 0.25 H new ATOM 0 HG22 VAL A 44 -4.669 -3.508 2.591 1.00 0.25 H new ATOM 0 HG23 VAL A 44 -3.662 -3.165 4.017 1.00 0.25 H new ATOM 595 N THR A 45 0.207 -4.449 1.938 1.00 0.15 N ATOM 596 CA THR A 45 1.606 -4.531 2.304 1.00 0.16 C ATOM 597 C THR A 45 2.449 -3.992 1.150 1.00 0.13 C ATOM 598 O THR A 45 1.908 -3.445 0.189 1.00 0.14 O ATOM 599 CB THR A 45 2.002 -5.993 2.625 1.00 0.19 C ATOM 600 OG1 THR A 45 3.336 -6.057 3.153 1.00 0.21 O ATOM 601 CG2 THR A 45 1.898 -6.875 1.385 1.00 0.20 C ATOM 0 H THR A 45 0.047 -4.134 0.981 1.00 0.15 H new ATOM 0 HA THR A 45 1.783 -3.934 3.199 1.00 0.16 H new ATOM 0 HB THR A 45 1.305 -6.363 3.377 1.00 0.19 H new ATOM 0 HG1 THR A 45 3.320 -5.844 4.109 1.00 0.21 H new ATOM 0 HG21 THR A 45 2.182 -7.896 1.640 1.00 0.20 H new ATOM 0 HG22 THR A 45 0.872 -6.865 1.016 1.00 0.20 H new ATOM 0 HG23 THR A 45 2.565 -6.495 0.611 1.00 0.20 H new ATOM 609 N CYS A 46 3.760 -4.136 1.235 1.00 0.15 N ATOM 610 CA CYS A 46 4.634 -3.696 0.165 1.00 0.14 C ATOM 611 C CYS A 46 5.736 -4.726 -0.059 1.00 0.15 C ATOM 612 O CYS A 46 5.985 -5.569 0.807 1.00 0.19 O ATOM 613 CB CYS A 46 5.228 -2.317 0.485 1.00 0.16 C ATOM 614 SG CYS A 46 6.485 -2.320 1.778 1.00 0.19 S ATOM 0 H CYS A 46 4.240 -4.553 2.032 1.00 0.15 H new ATOM 0 HA CYS A 46 4.053 -3.603 -0.752 1.00 0.14 H new ATOM 0 HB2 CYS A 46 5.663 -1.904 -0.425 1.00 0.16 H new ATOM 0 HB3 CYS A 46 4.420 -1.649 0.784 1.00 0.16 H new ATOM 0 HG CYS A 46 7.453 -3.120 1.441 1.00 0.19 H new ATOM 620 N SER A 47 6.375 -4.676 -1.224 1.00 0.19 N ATOM 621 CA SER A 47 7.467 -5.589 -1.538 1.00 0.27 C ATOM 622 C SER A 47 8.688 -5.342 -0.644 1.00 0.25 C ATOM 623 O SER A 47 8.672 -4.448 0.205 1.00 0.25 O ATOM 624 CB SER A 47 7.844 -5.478 -3.018 1.00 0.41 C ATOM 625 OG SER A 47 6.822 -6.013 -3.840 1.00 1.15 O ATOM 0 H SER A 47 6.155 -4.012 -1.966 1.00 0.19 H new ATOM 0 HA SER A 47 7.121 -6.603 -1.340 1.00 0.27 H new ATOM 0 HB2 SER A 47 8.015 -4.433 -3.277 1.00 0.41 H new ATOM 0 HB3 SER A 47 8.778 -6.009 -3.200 1.00 0.41 H new ATOM 0 HG SER A 47 7.178 -6.179 -4.738 1.00 1.15 H new ATOM 631 N LYS A 48 9.751 -6.110 -0.856 1.00 0.29 N ATOM 632 CA LYS A 48 10.889 -6.119 0.061 1.00 0.31 C ATOM 633 C LYS A 48 11.638 -4.796 0.014 1.00 0.27 C ATOM 634 O LYS A 48 11.887 -4.181 1.045 1.00 0.40 O ATOM 635 CB LYS A 48 11.838 -7.268 -0.281 1.00 0.39 C ATOM 636 CG LYS A 48 11.206 -8.641 -0.142 1.00 0.56 C ATOM 637 CD LYS A 48 12.130 -9.730 -0.661 1.00 0.74 C ATOM 638 CE LYS A 48 11.531 -11.115 -0.474 1.00 1.36 C ATOM 639 NZ LYS A 48 11.419 -11.483 0.960 1.00 2.10 N ATOM 0 H LYS A 48 9.850 -6.736 -1.655 1.00 0.29 H new ATOM 0 HA LYS A 48 10.506 -6.262 1.071 1.00 0.31 H new ATOM 0 HB2 LYS A 48 12.193 -7.143 -1.304 1.00 0.39 H new ATOM 0 HB3 LYS A 48 12.712 -7.212 0.369 1.00 0.39 H new ATOM 0 HG2 LYS A 48 10.970 -8.830 0.905 1.00 0.56 H new ATOM 0 HG3 LYS A 48 10.265 -8.668 -0.691 1.00 0.56 H new ATOM 0 HD2 LYS A 48 12.333 -9.561 -1.719 1.00 0.74 H new ATOM 0 HD3 LYS A 48 13.086 -9.674 -0.141 1.00 0.74 H new ATOM 0 HE2 LYS A 48 10.544 -11.148 -0.935 1.00 1.36 H new ATOM 0 HE3 LYS A 48 12.149 -11.850 -0.990 1.00 1.36 H new ATOM 0 HZ1 LYS A 48 11.235 -12.503 1.043 1.00 2.10 H new ATOM 0 HZ2 LYS A 48 12.307 -11.250 1.448 1.00 2.10 H new ATOM 0 HZ3 LYS A 48 10.636 -10.954 1.394 1.00 2.10 H new ATOM 653 N ASP A 49 11.972 -4.357 -1.191 1.00 0.27 N ATOM 654 CA ASP A 49 12.664 -3.085 -1.392 1.00 0.27 C ATOM 655 C ASP A 49 11.686 -1.921 -1.320 1.00 0.25 C ATOM 656 O ASP A 49 12.018 -0.801 -1.713 1.00 0.28 O ATOM 657 CB ASP A 49 13.367 -3.063 -2.752 1.00 0.36 C ATOM 658 CG ASP A 49 14.642 -3.881 -2.780 1.00 0.48 C ATOM 659 OD1 ASP A 49 15.736 -3.280 -2.756 1.00 0.71 O ATOM 660 OD2 ASP A 49 14.559 -5.128 -2.838 1.00 0.56 O ATOM 0 H ASP A 49 11.774 -4.865 -2.053 1.00 0.27 H new ATOM 0 HA ASP A 49 13.405 -2.982 -0.599 1.00 0.27 H new ATOM 0 HB2 ASP A 49 12.684 -3.441 -3.513 1.00 0.36 H new ATOM 0 HB3 ASP A 49 13.599 -2.031 -3.017 1.00 0.36 H new ATOM 665 N GLY A 50 10.475 -2.196 -0.833 1.00 0.23 N ATOM 666 CA GLY A 50 9.426 -1.190 -0.802 1.00 0.25 C ATOM 667 C GLY A 50 9.042 -0.738 -2.194 1.00 0.28 C ATOM 668 O GLY A 50 8.334 0.244 -2.364 1.00 0.43 O ATOM 0 H GLY A 50 10.202 -3.104 -0.457 1.00 0.23 H new ATOM 0 HA2 GLY A 50 8.549 -1.594 -0.296 1.00 0.25 H new ATOM 0 HA3 GLY A 50 9.762 -0.332 -0.221 1.00 0.25 H new ATOM 672 N GLU A 51 9.500 -1.492 -3.185 1.00 0.25 N ATOM 673 CA GLU A 51 9.370 -1.119 -4.585 1.00 0.30 C ATOM 674 C GLU A 51 7.935 -1.247 -5.094 1.00 0.22 C ATOM 675 O GLU A 51 7.588 -0.690 -6.137 1.00 0.27 O ATOM 676 CB GLU A 51 10.307 -1.989 -5.423 1.00 0.40 C ATOM 677 CG GLU A 51 10.021 -3.471 -5.303 1.00 0.74 C ATOM 678 CD GLU A 51 10.953 -4.317 -6.144 1.00 1.30 C ATOM 679 OE1 GLU A 51 10.711 -4.460 -7.359 1.00 1.80 O ATOM 680 OE2 GLU A 51 11.936 -4.847 -5.591 1.00 1.99 O ATOM 0 H GLU A 51 9.974 -2.383 -3.038 1.00 0.25 H new ATOM 0 HA GLU A 51 9.644 -0.068 -4.679 1.00 0.30 H new ATOM 0 HB2 GLU A 51 10.225 -1.694 -6.469 1.00 0.40 H new ATOM 0 HB3 GLU A 51 11.336 -1.799 -5.118 1.00 0.40 H new ATOM 0 HG2 GLU A 51 10.109 -3.770 -4.259 1.00 0.74 H new ATOM 0 HG3 GLU A 51 8.991 -3.663 -5.604 1.00 0.74 H new ATOM 687 N GLU A 52 7.103 -1.963 -4.355 1.00 0.24 N ATOM 688 CA GLU A 52 5.745 -2.254 -4.796 1.00 0.21 C ATOM 689 C GLU A 52 4.773 -2.237 -3.637 1.00 0.18 C ATOM 690 O GLU A 52 5.154 -2.495 -2.502 1.00 0.21 O ATOM 691 CB GLU A 52 5.685 -3.634 -5.432 1.00 0.27 C ATOM 692 CG GLU A 52 6.320 -3.724 -6.806 1.00 0.56 C ATOM 693 CD GLU A 52 6.510 -5.157 -7.246 1.00 0.97 C ATOM 694 OE1 GLU A 52 7.135 -5.934 -6.491 1.00 1.29 O ATOM 695 OE2 GLU A 52 6.049 -5.516 -8.348 1.00 1.49 O ATOM 0 H GLU A 52 7.343 -2.355 -3.445 1.00 0.24 H new ATOM 0 HA GLU A 52 5.469 -1.483 -5.516 1.00 0.21 H new ATOM 0 HB2 GLU A 52 6.179 -4.346 -4.771 1.00 0.27 H new ATOM 0 HB3 GLU A 52 4.641 -3.940 -5.508 1.00 0.27 H new ATOM 0 HG2 GLU A 52 5.694 -3.202 -7.530 1.00 0.56 H new ATOM 0 HG3 GLU A 52 7.285 -3.217 -6.794 1.00 0.56 H new ATOM 702 N VAL A 53 3.521 -1.948 -3.942 1.00 0.16 N ATOM 703 CA VAL A 53 2.443 -2.093 -2.983 1.00 0.16 C ATOM 704 C VAL A 53 1.627 -3.315 -3.357 1.00 0.18 C ATOM 705 O VAL A 53 1.229 -3.460 -4.507 1.00 0.34 O ATOM 706 CB VAL A 53 1.517 -0.860 -2.953 1.00 0.17 C ATOM 707 CG1 VAL A 53 0.413 -1.035 -1.919 1.00 0.20 C ATOM 708 CG2 VAL A 53 2.311 0.405 -2.680 1.00 0.21 C ATOM 0 H VAL A 53 3.225 -1.608 -4.857 1.00 0.16 H new ATOM 0 HA VAL A 53 2.884 -2.197 -1.992 1.00 0.16 H new ATOM 0 HB VAL A 53 1.051 -0.765 -3.934 1.00 0.17 H new ATOM 0 HG11 VAL A 53 -0.227 -0.152 -1.917 1.00 0.20 H new ATOM 0 HG12 VAL A 53 -0.182 -1.914 -2.167 1.00 0.20 H new ATOM 0 HG13 VAL A 53 0.856 -1.164 -0.932 1.00 0.20 H new ATOM 0 HG21 VAL A 53 1.637 1.261 -2.664 1.00 0.21 H new ATOM 0 HG22 VAL A 53 2.812 0.319 -1.716 1.00 0.21 H new ATOM 0 HG23 VAL A 53 3.055 0.544 -3.464 1.00 0.21 H new ATOM 718 N GLN A 54 1.391 -4.194 -2.399 1.00 0.16 N ATOM 719 CA GLN A 54 0.739 -5.464 -2.678 1.00 0.16 C ATOM 720 C GLN A 54 -0.449 -5.659 -1.747 1.00 0.16 C ATOM 721 O GLN A 54 -0.498 -5.067 -0.669 1.00 0.24 O ATOM 722 CB GLN A 54 1.733 -6.615 -2.484 1.00 0.29 C ATOM 723 CG GLN A 54 3.125 -6.331 -3.030 1.00 0.68 C ATOM 724 CD GLN A 54 3.220 -6.463 -4.537 1.00 1.17 C ATOM 725 OE1 GLN A 54 2.248 -6.269 -5.265 1.00 2.12 O ATOM 726 NE2 GLN A 54 4.406 -6.785 -5.014 1.00 0.88 N ATOM 0 H GLN A 54 1.641 -4.053 -1.420 1.00 0.16 H new ATOM 0 HA GLN A 54 0.388 -5.458 -3.710 1.00 0.16 H new ATOM 0 HB2 GLN A 54 1.810 -6.839 -1.420 1.00 0.29 H new ATOM 0 HB3 GLN A 54 1.339 -7.507 -2.970 1.00 0.29 H new ATOM 0 HG2 GLN A 54 3.421 -5.322 -2.742 1.00 0.68 H new ATOM 0 HG3 GLN A 54 3.835 -7.016 -2.567 1.00 0.68 H new ATOM 0 HE21 GLN A 54 5.188 -6.938 -4.377 1.00 0.88 H new ATOM 0 HE22 GLN A 54 4.542 -6.881 -6.020 1.00 0.88 H new ATOM 735 N TRP A 55 -1.404 -6.477 -2.157 1.00 0.14 N ATOM 736 CA TRP A 55 -2.534 -6.803 -1.302 1.00 0.16 C ATOM 737 C TRP A 55 -2.981 -8.244 -1.488 1.00 0.17 C ATOM 738 O TRP A 55 -2.737 -8.863 -2.526 1.00 0.18 O ATOM 739 CB TRP A 55 -3.714 -5.850 -1.528 1.00 0.18 C ATOM 740 CG TRP A 55 -4.048 -5.608 -2.967 1.00 0.18 C ATOM 741 CD1 TRP A 55 -4.826 -6.379 -3.783 1.00 0.22 C ATOM 742 CD2 TRP A 55 -3.619 -4.497 -3.750 1.00 0.19 C ATOM 743 NE1 TRP A 55 -4.895 -5.813 -5.035 1.00 0.23 N ATOM 744 CE2 TRP A 55 -4.160 -4.654 -5.037 1.00 0.21 C ATOM 745 CE3 TRP A 55 -2.823 -3.384 -3.482 1.00 0.24 C ATOM 746 CZ2 TRP A 55 -3.929 -3.734 -6.056 1.00 0.24 C ATOM 747 CZ3 TRP A 55 -2.595 -2.474 -4.489 1.00 0.29 C ATOM 748 CH2 TRP A 55 -3.143 -2.650 -5.762 1.00 0.28 C ATOM 0 H TRP A 55 -1.420 -6.926 -3.073 1.00 0.14 H new ATOM 0 HA TRP A 55 -2.191 -6.681 -0.275 1.00 0.16 H new ATOM 0 HB2 TRP A 55 -4.593 -6.255 -1.027 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -3.489 -4.894 -1.054 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -5.314 -7.296 -3.489 1.00 0.22 H new ATOM 0 HE1 TRP A 55 -5.408 -6.192 -5.831 1.00 0.23 H new ATOM 0 HE3 TRP A 55 -2.393 -3.239 -2.502 1.00 0.24 H new ATOM 0 HZ2 TRP A 55 -4.353 -3.869 -7.040 1.00 0.24 H new ATOM 0 HZ3 TRP A 55 -1.981 -1.608 -4.291 1.00 0.29 H new ATOM 0 HH2 TRP A 55 -2.943 -1.917 -6.530 1.00 0.28 H new ATOM 759 N PHE A 56 -3.616 -8.768 -0.456 1.00 0.21 N ATOM 760 CA PHE A 56 -4.141 -10.119 -0.457 1.00 0.23 C ATOM 761 C PHE A 56 -5.646 -10.077 -0.227 1.00 0.23 C ATOM 762 O PHE A 56 -6.106 -9.588 0.803 1.00 0.26 O ATOM 763 CB PHE A 56 -3.465 -10.942 0.640 1.00 0.26 C ATOM 764 CG PHE A 56 -1.967 -11.007 0.516 1.00 0.30 C ATOM 765 CD1 PHE A 56 -1.365 -11.950 -0.301 1.00 0.45 C ATOM 766 CD2 PHE A 56 -1.162 -10.126 1.220 1.00 0.37 C ATOM 767 CE1 PHE A 56 0.010 -12.012 -0.415 1.00 0.53 C ATOM 768 CE2 PHE A 56 0.214 -10.184 1.110 1.00 0.44 C ATOM 769 CZ PHE A 56 0.800 -11.128 0.292 1.00 0.48 C ATOM 0 H PHE A 56 -3.783 -8.262 0.414 1.00 0.21 H new ATOM 0 HA PHE A 56 -3.937 -10.586 -1.421 1.00 0.23 H new ATOM 0 HB2 PHE A 56 -3.722 -10.517 1.610 1.00 0.26 H new ATOM 0 HB3 PHE A 56 -3.866 -11.955 0.620 1.00 0.26 H new ATOM 0 HD1 PHE A 56 -1.978 -12.645 -0.855 1.00 0.45 H new ATOM 0 HD2 PHE A 56 -1.615 -9.385 1.862 1.00 0.37 H new ATOM 0 HE1 PHE A 56 0.467 -12.751 -1.057 1.00 0.53 H new ATOM 0 HE2 PHE A 56 0.830 -9.491 1.664 1.00 0.44 H new ATOM 0 HZ PHE A 56 1.875 -11.175 0.205 1.00 0.48 H new ATOM 779 N LYS A 57 -6.409 -10.582 -1.182 1.00 0.28 N ATOM 780 CA LYS A 57 -7.864 -10.478 -1.124 1.00 0.29 C ATOM 781 C LYS A 57 -8.444 -11.561 -0.230 1.00 0.35 C ATOM 782 O LYS A 57 -8.469 -12.737 -0.600 1.00 0.54 O ATOM 783 CB LYS A 57 -8.474 -10.582 -2.521 1.00 0.35 C ATOM 784 CG LYS A 57 -7.842 -9.644 -3.531 1.00 0.36 C ATOM 785 CD LYS A 57 -8.401 -9.838 -4.939 1.00 0.55 C ATOM 786 CE LYS A 57 -8.179 -11.248 -5.478 1.00 0.95 C ATOM 787 NZ LYS A 57 -9.303 -12.166 -5.148 1.00 1.20 N ATOM 0 H LYS A 57 -6.051 -11.067 -2.005 1.00 0.28 H new ATOM 0 HA LYS A 57 -8.111 -9.502 -0.705 1.00 0.29 H new ATOM 0 HB2 LYS A 57 -8.373 -11.607 -2.877 1.00 0.35 H new ATOM 0 HB3 LYS A 57 -9.541 -10.370 -2.459 1.00 0.35 H new ATOM 0 HG2 LYS A 57 -8.006 -8.613 -3.217 1.00 0.36 H new ATOM 0 HG3 LYS A 57 -6.764 -9.805 -3.546 1.00 0.36 H new ATOM 0 HD2 LYS A 57 -9.469 -9.621 -4.933 1.00 0.55 H new ATOM 0 HD3 LYS A 57 -7.933 -9.120 -5.612 1.00 0.55 H new ATOM 0 HE2 LYS A 57 -8.055 -11.205 -6.560 1.00 0.95 H new ATOM 0 HE3 LYS A 57 -7.253 -11.650 -5.067 1.00 0.95 H new ATOM 0 HZ1 LYS A 57 -8.991 -12.853 -4.432 1.00 1.20 H new ATOM 0 HZ2 LYS A 57 -10.103 -11.616 -4.775 1.00 1.20 H new ATOM 0 HZ3 LYS A 57 -9.602 -12.672 -6.006 1.00 1.20 H new ATOM 801 N GLY A 58 -8.905 -11.145 0.941 1.00 0.38 N ATOM 802 CA GLY A 58 -9.484 -12.068 1.902 1.00 0.48 C ATOM 803 C GLY A 58 -8.495 -13.117 2.363 1.00 0.73 C ATOM 804 O GLY A 58 -7.501 -12.800 3.022 1.00 1.35 O ATOM 0 H GLY A 58 -8.888 -10.172 1.247 1.00 0.38 H new ATOM 0 HA2 GLY A 58 -9.846 -11.510 2.765 1.00 0.48 H new ATOM 0 HA3 GLY A 58 -10.348 -12.559 1.455 1.00 0.48 H new ATOM 808 N LYS A 59 -8.770 -14.366 2.020 1.00 0.99 N ATOM 809 CA LYS A 59 -7.866 -15.457 2.327 1.00 1.48 C ATOM 810 C LYS A 59 -6.985 -15.733 1.120 1.00 1.81 C ATOM 811 O LYS A 59 -7.479 -16.002 0.022 1.00 2.63 O ATOM 812 CB LYS A 59 -8.641 -16.715 2.725 1.00 1.89 C ATOM 813 CG LYS A 59 -7.744 -17.889 3.081 1.00 2.69 C ATOM 814 CD LYS A 59 -8.531 -19.033 3.694 1.00 3.35 C ATOM 815 CE LYS A 59 -7.609 -20.149 4.161 1.00 4.22 C ATOM 816 NZ LYS A 59 -6.611 -19.669 5.155 1.00 4.98 N ATOM 0 H LYS A 59 -9.617 -14.647 1.526 1.00 0.99 H new ATOM 0 HA LYS A 59 -7.241 -15.172 3.174 1.00 1.48 H new ATOM 0 HB2 LYS A 59 -9.280 -16.484 3.577 1.00 1.89 H new ATOM 0 HB3 LYS A 59 -9.296 -17.004 1.903 1.00 1.89 H new ATOM 0 HG2 LYS A 59 -7.231 -18.239 2.185 1.00 2.69 H new ATOM 0 HG3 LYS A 59 -6.975 -17.560 3.781 1.00 2.69 H new ATOM 0 HD2 LYS A 59 -9.116 -18.665 4.537 1.00 3.35 H new ATOM 0 HD3 LYS A 59 -9.238 -19.424 2.962 1.00 3.35 H new ATOM 0 HE2 LYS A 59 -8.203 -20.950 4.602 1.00 4.22 H new ATOM 0 HE3 LYS A 59 -7.090 -20.573 3.302 1.00 4.22 H new ATOM 0 HZ1 LYS A 59 -6.226 -20.480 5.680 1.00 4.98 H new ATOM 0 HZ2 LYS A 59 -5.838 -19.178 4.662 1.00 4.98 H new ATOM 0 HZ3 LYS A 59 -7.070 -19.013 5.819 1.00 4.98 H new ATOM 830 N SER A 60 -5.686 -15.670 1.328 1.00 1.73 N ATOM 831 CA SER A 60 -4.734 -15.758 0.239 1.00 2.21 C ATOM 832 C SER A 60 -3.681 -16.820 0.514 1.00 1.61 C ATOM 833 O SER A 60 -3.700 -17.480 1.556 1.00 2.01 O ATOM 834 CB SER A 60 -4.068 -14.400 0.049 1.00 3.22 C ATOM 835 OG SER A 60 -3.521 -13.938 1.274 1.00 3.89 O ATOM 0 H SER A 60 -5.262 -15.557 2.249 1.00 1.73 H new ATOM 0 HA SER A 60 -5.265 -16.043 -0.669 1.00 2.21 H new ATOM 0 HB2 SER A 60 -3.281 -14.476 -0.701 1.00 3.22 H new ATOM 0 HB3 SER A 60 -4.796 -13.680 -0.325 1.00 3.22 H new ATOM 0 HG SER A 60 -2.554 -13.813 1.174 1.00 3.89 H new ATOM 841 N THR A 61 -2.770 -16.979 -0.430 1.00 1.47 N ATOM 842 CA THR A 61 -1.668 -17.908 -0.290 1.00 1.55 C ATOM 843 C THR A 61 -0.341 -17.167 -0.407 1.00 1.39 C ATOM 844 O THR A 61 0.252 -17.113 -1.485 1.00 1.72 O ATOM 845 CB THR A 61 -1.744 -19.018 -1.358 1.00 2.37 C ATOM 846 OG1 THR A 61 -2.005 -18.439 -2.645 1.00 2.95 O ATOM 847 CG2 THR A 61 -2.833 -20.027 -1.022 1.00 2.95 C ATOM 0 H THR A 61 -2.775 -16.468 -1.313 1.00 1.47 H new ATOM 0 HA THR A 61 -1.736 -18.372 0.694 1.00 1.55 H new ATOM 0 HB THR A 61 -0.786 -19.538 -1.377 1.00 2.37 H new ATOM 0 HG1 THR A 61 -2.844 -18.799 -3.001 1.00 2.95 H new ATOM 0 HG21 THR A 61 -2.864 -20.798 -1.792 1.00 2.95 H new ATOM 0 HG22 THR A 61 -2.619 -20.486 -0.057 1.00 2.95 H new ATOM 0 HG23 THR A 61 -3.797 -19.520 -0.977 1.00 2.95 H new ATOM 855 N ALA A 62 0.090 -16.559 0.697 1.00 1.24 N ATOM 856 CA ALA A 62 1.353 -15.840 0.745 1.00 1.29 C ATOM 857 C ALA A 62 2.499 -16.712 0.245 1.00 1.32 C ATOM 858 O ALA A 62 2.929 -17.635 0.935 1.00 1.69 O ATOM 859 CB ALA A 62 1.623 -15.363 2.160 1.00 1.53 C ATOM 0 H ALA A 62 -0.426 -16.553 1.577 1.00 1.24 H new ATOM 0 HA ALA A 62 1.283 -14.974 0.087 1.00 1.29 H new ATOM 0 HB1 ALA A 62 2.571 -14.825 2.188 1.00 1.53 H new ATOM 0 HB2 ALA A 62 0.820 -14.699 2.480 1.00 1.53 H new ATOM 0 HB3 ALA A 62 1.673 -16.221 2.830 1.00 1.53 H new ATOM 865 N GLY A 63 2.975 -16.385 -0.957 1.00 1.20 N ATOM 866 CA GLY A 63 3.982 -17.177 -1.654 1.00 1.25 C ATOM 867 C GLY A 63 5.095 -17.697 -0.773 1.00 1.40 C ATOM 868 O GLY A 63 5.906 -16.921 -0.264 1.00 1.99 O ATOM 0 H GLY A 63 2.670 -15.560 -1.474 1.00 1.20 H new ATOM 0 HA2 GLY A 63 3.491 -18.023 -2.134 1.00 1.25 H new ATOM 0 HA3 GLY A 63 4.418 -16.570 -2.447 1.00 1.25 H new ATOM 872 N ALA A 64 5.102 -19.016 -0.588 1.00 1.55 N ATOM 873 CA ALA A 64 6.147 -19.718 0.157 1.00 1.66 C ATOM 874 C ALA A 64 6.270 -19.206 1.588 1.00 1.67 C ATOM 875 O ALA A 64 7.358 -19.227 2.168 1.00 1.74 O ATOM 876 CB ALA A 64 7.483 -19.606 -0.567 1.00 1.76 C ATOM 0 H ALA A 64 4.377 -19.633 -0.954 1.00 1.55 H new ATOM 0 HA ALA A 64 5.860 -20.768 0.211 1.00 1.66 H new ATOM 0 HB1 ALA A 64 8.250 -20.134 0.000 1.00 1.76 H new ATOM 0 HB2 ALA A 64 7.397 -20.048 -1.559 1.00 1.76 H new ATOM 0 HB3 ALA A 64 7.759 -18.556 -0.661 1.00 1.76 H new ATOM 882 N GLN A 65 5.151 -18.724 2.137 1.00 1.68 N ATOM 883 CA GLN A 65 5.084 -18.196 3.509 1.00 1.79 C ATOM 884 C GLN A 65 5.809 -16.854 3.627 1.00 1.70 C ATOM 885 O GLN A 65 5.607 -16.109 4.586 1.00 1.80 O ATOM 886 CB GLN A 65 5.660 -19.191 4.528 1.00 2.01 C ATOM 887 CG GLN A 65 4.970 -20.547 4.537 1.00 2.23 C ATOM 888 CD GLN A 65 3.469 -20.439 4.710 1.00 2.86 C ATOM 889 OE1 GLN A 65 2.961 -20.397 5.830 1.00 3.24 O ATOM 890 NE2 GLN A 65 2.748 -20.417 3.603 1.00 3.33 N ATOM 0 H GLN A 65 4.260 -18.688 1.642 1.00 1.68 H new ATOM 0 HA GLN A 65 4.029 -18.043 3.735 1.00 1.79 H new ATOM 0 HB2 GLN A 65 6.719 -19.337 4.317 1.00 2.01 H new ATOM 0 HB3 GLN A 65 5.590 -18.754 5.524 1.00 2.01 H new ATOM 0 HG2 GLN A 65 5.187 -21.067 3.604 1.00 2.23 H new ATOM 0 HG3 GLN A 65 5.382 -21.154 5.343 1.00 2.23 H new ATOM 0 HE21 GLN A 65 3.209 -20.454 2.694 1.00 3.33 H new ATOM 0 HE22 GLN A 65 1.731 -20.363 3.658 1.00 3.33 H new ATOM 899 N ASP A 66 6.635 -16.546 2.636 1.00 1.62 N ATOM 900 CA ASP A 66 7.412 -15.315 2.621 1.00 1.65 C ATOM 901 C ASP A 66 6.634 -14.230 1.883 1.00 1.49 C ATOM 902 O ASP A 66 7.128 -13.133 1.637 1.00 1.59 O ATOM 903 CB ASP A 66 8.768 -15.566 1.953 1.00 1.78 C ATOM 904 CG ASP A 66 9.815 -14.543 2.340 1.00 2.25 C ATOM 905 OD1 ASP A 66 10.189 -14.481 3.526 1.00 2.32 O ATOM 906 OD2 ASP A 66 10.260 -13.784 1.453 1.00 2.86 O ATOM 0 H ASP A 66 6.785 -17.142 1.822 1.00 1.62 H new ATOM 0 HA ASP A 66 7.590 -14.980 3.643 1.00 1.65 H new ATOM 0 HB2 ASP A 66 9.122 -16.561 2.224 1.00 1.78 H new ATOM 0 HB3 ASP A 66 8.641 -15.557 0.870 1.00 1.78 H new ATOM 911 N ARG A 67 5.395 -14.585 1.544 1.00 1.32 N ATOM 912 CA ARG A 67 4.432 -13.695 0.893 1.00 1.23 C ATOM 913 C ARG A 67 4.972 -13.154 -0.426 1.00 1.18 C ATOM 914 O ARG A 67 4.944 -11.949 -0.677 1.00 1.31 O ATOM 915 CB ARG A 67 4.018 -12.536 1.810 1.00 1.40 C ATOM 916 CG ARG A 67 4.031 -12.869 3.296 1.00 1.60 C ATOM 917 CD ARG A 67 3.497 -11.717 4.128 1.00 1.84 C ATOM 918 NE ARG A 67 4.289 -10.499 3.959 1.00 2.26 N ATOM 919 CZ ARG A 67 4.656 -9.708 4.963 1.00 2.61 C ATOM 920 NH1 ARG A 67 4.320 -10.012 6.211 1.00 2.62 N ATOM 921 NH2 ARG A 67 5.359 -8.612 4.715 1.00 3.34 N ATOM 0 H ARG A 67 5.024 -15.519 1.718 1.00 1.32 H new ATOM 0 HA ARG A 67 3.546 -14.294 0.682 1.00 1.23 H new ATOM 0 HB2 ARG A 67 4.687 -11.694 1.634 1.00 1.40 H new ATOM 0 HB3 ARG A 67 3.015 -12.210 1.533 1.00 1.40 H new ATOM 0 HG2 ARG A 67 3.428 -13.759 3.476 1.00 1.60 H new ATOM 0 HG3 ARG A 67 5.048 -13.104 3.609 1.00 1.60 H new ATOM 0 HD2 ARG A 67 2.463 -11.518 3.848 1.00 1.84 H new ATOM 0 HD3 ARG A 67 3.493 -12.002 5.180 1.00 1.84 H new ATOM 0 HE ARG A 67 4.577 -10.241 3.015 1.00 2.26 H new ATOM 0 HH11 ARG A 67 3.778 -10.855 6.402 1.00 2.62 H new ATOM 0 HH12 ARG A 67 4.603 -9.403 6.978 1.00 2.62 H new ATOM 0 HH21 ARG A 67 5.617 -8.378 3.756 1.00 3.34 H new ATOM 0 HH22 ARG A 67 5.642 -8.003 5.483 1.00 3.34 H new ATOM 935 N LYS A 68 5.449 -14.057 -1.272 1.00 1.12 N ATOM 936 CA LYS A 68 5.963 -13.684 -2.584 1.00 1.16 C ATOM 937 C LYS A 68 4.890 -13.833 -3.655 1.00 0.99 C ATOM 938 O LYS A 68 5.168 -13.750 -4.851 1.00 1.10 O ATOM 939 CB LYS A 68 7.167 -14.544 -2.931 1.00 1.39 C ATOM 940 CG LYS A 68 8.289 -14.418 -1.921 1.00 1.77 C ATOM 941 CD LYS A 68 9.630 -14.330 -2.612 1.00 2.01 C ATOM 942 CE LYS A 68 9.967 -15.618 -3.347 1.00 2.02 C ATOM 943 NZ LYS A 68 11.229 -15.502 -4.122 1.00 2.24 N ATOM 0 H LYS A 68 5.491 -15.056 -1.073 1.00 1.12 H new ATOM 0 HA LYS A 68 6.264 -12.637 -2.548 1.00 1.16 H new ATOM 0 HB2 LYS A 68 6.857 -15.587 -2.994 1.00 1.39 H new ATOM 0 HB3 LYS A 68 7.538 -14.261 -3.916 1.00 1.39 H new ATOM 0 HG2 LYS A 68 8.133 -13.531 -1.307 1.00 1.77 H new ATOM 0 HG3 LYS A 68 8.277 -15.277 -1.249 1.00 1.77 H new ATOM 0 HD2 LYS A 68 9.622 -13.499 -3.318 1.00 2.01 H new ATOM 0 HD3 LYS A 68 10.406 -14.117 -1.876 1.00 2.01 H new ATOM 0 HE2 LYS A 68 10.056 -16.433 -2.629 1.00 2.02 H new ATOM 0 HE3 LYS A 68 9.150 -15.875 -4.021 1.00 2.02 H new ATOM 0 HZ1 LYS A 68 11.422 -16.401 -4.608 1.00 2.24 H new ATOM 0 HZ2 LYS A 68 11.136 -14.742 -4.825 1.00 2.24 H new ATOM 0 HZ3 LYS A 68 12.014 -15.282 -3.476 1.00 2.24 H new ATOM 957 N LYS A 69 3.659 -14.041 -3.214 1.00 0.90 N ATOM 958 CA LYS A 69 2.542 -14.277 -4.120 1.00 0.80 C ATOM 959 C LYS A 69 1.332 -13.444 -3.694 1.00 0.61 C ATOM 960 O LYS A 69 0.429 -13.941 -3.021 1.00 0.61 O ATOM 961 CB LYS A 69 2.194 -15.770 -4.121 1.00 0.99 C ATOM 962 CG LYS A 69 1.030 -16.152 -5.017 1.00 1.06 C ATOM 963 CD LYS A 69 0.614 -17.593 -4.771 1.00 1.68 C ATOM 964 CE LYS A 69 -0.589 -17.976 -5.612 1.00 2.17 C ATOM 965 NZ LYS A 69 -1.146 -19.296 -5.211 1.00 2.92 N ATOM 0 H LYS A 69 3.406 -14.051 -2.226 1.00 0.90 H new ATOM 0 HA LYS A 69 2.824 -13.977 -5.129 1.00 0.80 H new ATOM 0 HB2 LYS A 69 3.074 -16.333 -4.432 1.00 0.99 H new ATOM 0 HB3 LYS A 69 1.964 -16.076 -3.100 1.00 0.99 H new ATOM 0 HG2 LYS A 69 0.187 -15.488 -4.829 1.00 1.06 H new ATOM 0 HG3 LYS A 69 1.311 -16.023 -6.062 1.00 1.06 H new ATOM 0 HD2 LYS A 69 1.447 -18.258 -5.001 1.00 1.68 H new ATOM 0 HD3 LYS A 69 0.380 -17.730 -3.715 1.00 1.68 H new ATOM 0 HE2 LYS A 69 -1.360 -17.211 -5.514 1.00 2.17 H new ATOM 0 HE3 LYS A 69 -0.303 -18.007 -6.663 1.00 2.17 H new ATOM 0 HZ1 LYS A 69 -1.935 -19.546 -5.841 1.00 2.92 H new ATOM 0 HZ2 LYS A 69 -0.404 -20.021 -5.280 1.00 2.92 H new ATOM 0 HZ3 LYS A 69 -1.489 -19.245 -4.231 1.00 2.92 H new ATOM 979 N PRO A 70 1.319 -12.152 -4.046 1.00 0.51 N ATOM 980 CA PRO A 70 0.214 -11.257 -3.719 1.00 0.39 C ATOM 981 C PRO A 70 -0.987 -11.455 -4.639 1.00 0.32 C ATOM 982 O PRO A 70 -0.849 -11.880 -5.791 1.00 0.40 O ATOM 983 CB PRO A 70 0.801 -9.852 -3.910 1.00 0.40 C ATOM 984 CG PRO A 70 2.249 -10.046 -4.229 1.00 0.53 C ATOM 985 CD PRO A 70 2.379 -11.443 -4.766 1.00 0.59 C ATOM 0 HA PRO A 70 -0.159 -11.440 -2.711 1.00 0.39 H new ATOM 0 HB2 PRO A 70 0.292 -9.324 -4.716 1.00 0.40 H new ATOM 0 HB3 PRO A 70 0.678 -9.252 -3.008 1.00 0.40 H new ATOM 0 HG2 PRO A 70 2.587 -9.314 -4.963 1.00 0.53 H new ATOM 0 HG3 PRO A 70 2.864 -9.913 -3.339 1.00 0.53 H new ATOM 0 HD2 PRO A 70 2.232 -11.479 -5.845 1.00 0.59 H new ATOM 0 HD3 PRO A 70 3.363 -11.867 -4.563 1.00 0.59 H new ATOM 993 N SER A 71 -2.164 -11.129 -4.120 1.00 0.28 N ATOM 994 CA SER A 71 -3.407 -11.249 -4.868 1.00 0.31 C ATOM 995 C SER A 71 -3.560 -10.074 -5.827 1.00 0.28 C ATOM 996 O SER A 71 -4.484 -10.025 -6.638 1.00 0.40 O ATOM 997 CB SER A 71 -4.581 -11.272 -3.897 1.00 0.41 C ATOM 998 OG SER A 71 -4.296 -12.087 -2.774 1.00 1.02 O ATOM 0 H SER A 71 -2.283 -10.775 -3.171 1.00 0.28 H new ATOM 0 HA SER A 71 -3.388 -12.174 -5.444 1.00 0.31 H new ATOM 0 HB2 SER A 71 -4.804 -10.257 -3.567 1.00 0.41 H new ATOM 0 HB3 SER A 71 -5.470 -11.645 -4.405 1.00 0.41 H new ATOM 0 HG SER A 71 -5.036 -12.713 -2.628 1.00 1.02 H new ATOM 1004 N GLY A 72 -2.656 -9.119 -5.689 1.00 0.24 N ATOM 1005 CA GLY A 72 -2.634 -7.958 -6.546 1.00 0.23 C ATOM 1006 C GLY A 72 -1.621 -6.957 -6.050 1.00 0.22 C ATOM 1007 O GLY A 72 -1.108 -7.104 -4.937 1.00 0.26 O ATOM 0 H GLY A 72 -1.922 -9.131 -4.981 1.00 0.24 H new ATOM 0 HA2 GLY A 72 -2.391 -8.256 -7.566 1.00 0.23 H new ATOM 0 HA3 GLY A 72 -3.623 -7.500 -6.574 1.00 0.23 H new ATOM 1011 N GLY A 73 -1.317 -5.957 -6.856 1.00 0.24 N ATOM 1012 CA GLY A 73 -0.369 -4.952 -6.439 1.00 0.29 C ATOM 1013 C GLY A 73 0.097 -4.080 -7.580 1.00 0.27 C ATOM 1014 O GLY A 73 -0.378 -4.220 -8.710 1.00 0.40 O ATOM 0 H GLY A 73 -1.708 -5.823 -7.789 1.00 0.24 H new ATOM 0 HA2 GLY A 73 -0.824 -4.326 -5.671 1.00 0.29 H new ATOM 0 HA3 GLY A 73 0.493 -5.439 -5.984 1.00 0.29 H new ATOM 1018 N PHE A 74 1.032 -3.189 -7.285 1.00 0.20 N ATOM 1019 CA PHE A 74 1.561 -2.261 -8.277 1.00 0.19 C ATOM 1020 C PHE A 74 2.807 -1.567 -7.734 1.00 0.19 C ATOM 1021 O PHE A 74 2.991 -1.478 -6.521 1.00 0.19 O ATOM 1022 CB PHE A 74 0.495 -1.227 -8.678 1.00 0.18 C ATOM 1023 CG PHE A 74 0.093 -0.249 -7.601 1.00 0.17 C ATOM 1024 CD1 PHE A 74 -0.268 -0.667 -6.329 1.00 0.20 C ATOM 1025 CD2 PHE A 74 0.055 1.102 -7.883 1.00 0.17 C ATOM 1026 CE1 PHE A 74 -0.653 0.249 -5.367 1.00 0.21 C ATOM 1027 CE2 PHE A 74 -0.328 2.018 -6.930 1.00 0.18 C ATOM 1028 CZ PHE A 74 -0.684 1.592 -5.669 1.00 0.18 C ATOM 0 H PHE A 74 1.444 -3.088 -6.357 1.00 0.20 H new ATOM 0 HA PHE A 74 1.836 -2.825 -9.168 1.00 0.19 H new ATOM 0 HB2 PHE A 74 0.866 -0.664 -9.534 1.00 0.18 H new ATOM 0 HB3 PHE A 74 -0.396 -1.761 -9.009 1.00 0.18 H new ATOM 0 HD1 PHE A 74 -0.248 -1.719 -6.087 1.00 0.20 H new ATOM 0 HD2 PHE A 74 0.331 1.446 -8.869 1.00 0.17 H new ATOM 0 HE1 PHE A 74 -0.929 -0.089 -4.379 1.00 0.21 H new ATOM 0 HE2 PHE A 74 -0.350 3.071 -7.171 1.00 0.18 H new ATOM 0 HZ PHE A 74 -0.986 2.309 -4.920 1.00 0.18 H new ATOM 1038 N PRO A 75 3.688 -1.077 -8.621 1.00 0.20 N ATOM 1039 CA PRO A 75 4.938 -0.430 -8.216 1.00 0.20 C ATOM 1040 C PRO A 75 4.708 0.909 -7.527 1.00 0.19 C ATOM 1041 O PRO A 75 3.867 1.707 -7.945 1.00 0.20 O ATOM 1042 CB PRO A 75 5.686 -0.211 -9.534 1.00 0.23 C ATOM 1043 CG PRO A 75 4.961 -1.019 -10.554 1.00 0.25 C ATOM 1044 CD PRO A 75 3.542 -1.106 -10.082 1.00 0.22 C ATOM 0 HA PRO A 75 5.481 -1.041 -7.495 1.00 0.20 H new ATOM 0 HB2 PRO A 75 5.696 0.844 -9.807 1.00 0.23 H new ATOM 0 HB3 PRO A 75 6.725 -0.529 -9.451 1.00 0.23 H new ATOM 0 HG2 PRO A 75 5.017 -0.549 -11.536 1.00 0.25 H new ATOM 0 HG3 PRO A 75 5.401 -2.011 -10.650 1.00 0.25 H new ATOM 0 HD2 PRO A 75 2.942 -0.272 -10.446 1.00 0.22 H new ATOM 0 HD3 PRO A 75 3.057 -2.021 -10.423 1.00 0.22 H new ATOM 1052 N VAL A 76 5.495 1.148 -6.488 1.00 0.19 N ATOM 1053 CA VAL A 76 5.385 2.350 -5.670 1.00 0.18 C ATOM 1054 C VAL A 76 5.781 3.594 -6.455 1.00 0.19 C ATOM 1055 O VAL A 76 5.190 4.662 -6.297 1.00 0.19 O ATOM 1056 CB VAL A 76 6.268 2.224 -4.413 1.00 0.21 C ATOM 1057 CG1 VAL A 76 6.446 3.564 -3.726 1.00 0.30 C ATOM 1058 CG2 VAL A 76 5.662 1.218 -3.452 1.00 0.25 C ATOM 0 H VAL A 76 6.232 0.511 -6.186 1.00 0.19 H new ATOM 0 HA VAL A 76 4.342 2.453 -5.371 1.00 0.18 H new ATOM 0 HB VAL A 76 7.253 1.876 -4.725 1.00 0.21 H new ATOM 0 HG11 VAL A 76 7.074 3.440 -2.843 1.00 0.30 H new ATOM 0 HG12 VAL A 76 6.920 4.265 -4.413 1.00 0.30 H new ATOM 0 HG13 VAL A 76 5.472 3.952 -3.427 1.00 0.30 H new ATOM 0 HG21 VAL A 76 6.292 1.135 -2.567 1.00 0.25 H new ATOM 0 HG22 VAL A 76 4.666 1.549 -3.159 1.00 0.25 H new ATOM 0 HG23 VAL A 76 5.592 0.246 -3.940 1.00 0.25 H new ATOM 1068 N ASP A 77 6.777 3.448 -7.311 1.00 0.21 N ATOM 1069 CA ASP A 77 7.246 4.556 -8.132 1.00 0.24 C ATOM 1070 C ASP A 77 6.190 4.937 -9.165 1.00 0.23 C ATOM 1071 O ASP A 77 6.145 6.069 -9.645 1.00 0.30 O ATOM 1072 CB ASP A 77 8.550 4.167 -8.831 1.00 0.31 C ATOM 1073 CG ASP A 77 9.117 5.272 -9.702 1.00 0.73 C ATOM 1074 OD1 ASP A 77 9.944 6.062 -9.197 1.00 0.77 O ATOM 1075 OD2 ASP A 77 8.749 5.350 -10.898 1.00 1.29 O ATOM 0 H ASP A 77 7.279 2.572 -7.458 1.00 0.21 H new ATOM 0 HA ASP A 77 7.428 5.418 -7.490 1.00 0.24 H new ATOM 0 HB2 ASP A 77 9.289 3.891 -8.079 1.00 0.31 H new ATOM 0 HB3 ASP A 77 8.375 3.283 -9.445 1.00 0.31 H new ATOM 1080 N LYS A 78 5.313 3.989 -9.468 1.00 0.19 N ATOM 1081 CA LYS A 78 4.339 4.153 -10.536 1.00 0.20 C ATOM 1082 C LYS A 78 3.023 4.731 -10.022 1.00 0.17 C ATOM 1083 O LYS A 78 2.131 5.051 -10.804 1.00 0.18 O ATOM 1084 CB LYS A 78 4.104 2.815 -11.247 1.00 0.22 C ATOM 1085 CG LYS A 78 5.178 2.466 -12.275 1.00 0.28 C ATOM 1086 CD LYS A 78 6.562 2.343 -11.652 1.00 0.34 C ATOM 1087 CE LYS A 78 7.664 2.576 -12.669 1.00 0.47 C ATOM 1088 NZ LYS A 78 7.780 4.009 -13.049 1.00 1.54 N ATOM 0 H LYS A 78 5.257 3.093 -8.984 1.00 0.19 H new ATOM 0 HA LYS A 78 4.746 4.868 -11.251 1.00 0.20 H new ATOM 0 HB2 LYS A 78 4.057 2.021 -10.501 1.00 0.22 H new ATOM 0 HB3 LYS A 78 3.134 2.844 -11.744 1.00 0.22 H new ATOM 0 HG2 LYS A 78 4.918 1.527 -12.763 1.00 0.28 H new ATOM 0 HG3 LYS A 78 5.198 3.233 -13.049 1.00 0.28 H new ATOM 0 HD2 LYS A 78 6.660 3.063 -10.840 1.00 0.34 H new ATOM 0 HD3 LYS A 78 6.676 1.351 -11.214 1.00 0.34 H new ATOM 0 HE2 LYS A 78 8.614 2.232 -12.259 1.00 0.47 H new ATOM 0 HE3 LYS A 78 7.467 1.980 -13.560 1.00 0.47 H new ATOM 0 HZ1 LYS A 78 8.092 4.082 -14.038 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 6.855 4.472 -12.943 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 8.474 4.477 -12.432 1.00 1.54 H new ATOM 1102 N ILE A 79 2.895 4.862 -8.712 1.00 0.18 N ATOM 1103 CA ILE A 79 1.739 5.532 -8.134 1.00 0.16 C ATOM 1104 C ILE A 79 1.705 6.981 -8.609 1.00 0.18 C ATOM 1105 O ILE A 79 2.591 7.769 -8.275 1.00 0.26 O ATOM 1106 CB ILE A 79 1.772 5.508 -6.592 1.00 0.17 C ATOM 1107 CG1 ILE A 79 2.093 4.099 -6.087 1.00 0.18 C ATOM 1108 CG2 ILE A 79 0.440 5.990 -6.035 1.00 0.18 C ATOM 1109 CD1 ILE A 79 2.060 3.964 -4.580 1.00 0.19 C ATOM 0 H ILE A 79 3.572 4.516 -8.032 1.00 0.18 H new ATOM 0 HA ILE A 79 0.847 4.999 -8.462 1.00 0.16 H new ATOM 0 HB ILE A 79 2.557 6.180 -6.245 1.00 0.17 H new ATOM 0 HG12 ILE A 79 1.380 3.397 -6.520 1.00 0.18 H new ATOM 0 HG13 ILE A 79 3.081 3.812 -6.446 1.00 0.18 H new ATOM 0 HG21 ILE A 79 0.472 5.970 -4.946 1.00 0.18 H new ATOM 0 HG22 ILE A 79 0.251 7.009 -6.374 1.00 0.18 H new ATOM 0 HG23 ILE A 79 -0.359 5.337 -6.386 1.00 0.18 H new ATOM 0 HD11 ILE A 79 2.298 2.937 -4.301 1.00 0.19 H new ATOM 0 HD12 ILE A 79 2.793 4.639 -4.138 1.00 0.19 H new ATOM 0 HD13 ILE A 79 1.065 4.218 -4.214 1.00 0.19 H new ATOM 1121 N THR A 80 0.695 7.334 -9.394 1.00 0.15 N ATOM 1122 CA THR A 80 0.649 8.654 -9.996 1.00 0.18 C ATOM 1123 C THR A 80 0.172 9.697 -8.992 1.00 0.21 C ATOM 1124 O THR A 80 0.559 10.862 -9.067 1.00 0.28 O ATOM 1125 CB THR A 80 -0.234 8.690 -11.271 1.00 0.20 C ATOM 1126 OG1 THR A 80 -0.127 9.963 -11.919 1.00 0.27 O ATOM 1127 CG2 THR A 80 -1.692 8.408 -10.963 1.00 0.18 C ATOM 0 H THR A 80 -0.094 6.730 -9.625 1.00 0.15 H new ATOM 0 HA THR A 80 1.668 8.896 -10.297 1.00 0.18 H new ATOM 0 HB THR A 80 0.133 7.905 -11.932 1.00 0.20 H new ATOM 0 HG1 THR A 80 -0.688 9.969 -12.722 1.00 0.27 H new ATOM 0 HG21 THR A 80 -2.272 8.444 -11.885 1.00 0.18 H new ATOM 0 HG22 THR A 80 -1.784 7.419 -10.514 1.00 0.18 H new ATOM 0 HG23 THR A 80 -2.069 9.158 -10.268 1.00 0.18 H new ATOM 1135 N SER A 81 -0.659 9.278 -8.043 1.00 0.18 N ATOM 1136 CA SER A 81 -1.180 10.186 -7.033 1.00 0.21 C ATOM 1137 C SER A 81 -1.636 9.429 -5.790 1.00 0.17 C ATOM 1138 O SER A 81 -2.274 8.379 -5.887 1.00 0.19 O ATOM 1139 CB SER A 81 -2.347 10.999 -7.598 1.00 0.30 C ATOM 1140 OG SER A 81 -1.931 11.808 -8.685 1.00 0.88 O ATOM 0 H SER A 81 -0.985 8.315 -7.954 1.00 0.18 H new ATOM 0 HA SER A 81 -0.374 10.862 -6.748 1.00 0.21 H new ATOM 0 HB2 SER A 81 -3.138 10.325 -7.925 1.00 0.30 H new ATOM 0 HB3 SER A 81 -2.768 11.628 -6.814 1.00 0.30 H new ATOM 0 HG SER A 81 -0.952 11.823 -8.726 1.00 0.88 H new ATOM 1146 N VAL A 82 -1.306 9.984 -4.633 1.00 0.20 N ATOM 1147 CA VAL A 82 -1.723 9.441 -3.354 1.00 0.21 C ATOM 1148 C VAL A 82 -2.481 10.522 -2.591 1.00 0.21 C ATOM 1149 O VAL A 82 -1.912 11.522 -2.154 1.00 0.24 O ATOM 1150 CB VAL A 82 -0.521 8.918 -2.526 1.00 0.27 C ATOM 1151 CG1 VAL A 82 0.529 10.001 -2.315 1.00 1.36 C ATOM 1152 CG2 VAL A 82 -0.989 8.355 -1.191 1.00 1.01 C ATOM 0 H VAL A 82 -0.738 10.828 -4.558 1.00 0.20 H new ATOM 0 HA VAL A 82 -2.373 8.584 -3.530 1.00 0.21 H new ATOM 0 HB VAL A 82 -0.055 8.114 -3.096 1.00 0.27 H new ATOM 0 HG11 VAL A 82 1.356 9.597 -1.731 1.00 1.36 H new ATOM 0 HG12 VAL A 82 0.900 10.341 -3.282 1.00 1.36 H new ATOM 0 HG13 VAL A 82 0.084 10.841 -1.781 1.00 1.36 H new ATOM 0 HG21 VAL A 82 -0.129 7.994 -0.627 1.00 1.01 H new ATOM 0 HG22 VAL A 82 -1.493 9.137 -0.623 1.00 1.01 H new ATOM 0 HG23 VAL A 82 -1.680 7.531 -1.366 1.00 1.01 H new ATOM 1162 N LYS A 83 -3.780 10.346 -2.491 1.00 0.21 N ATOM 1163 CA LYS A 83 -4.644 11.376 -1.961 1.00 0.23 C ATOM 1164 C LYS A 83 -5.703 10.804 -1.032 1.00 0.22 C ATOM 1165 O LYS A 83 -5.891 9.591 -0.933 1.00 0.21 O ATOM 1166 CB LYS A 83 -5.301 12.095 -3.133 1.00 0.30 C ATOM 1167 CG LYS A 83 -5.809 11.132 -4.192 1.00 0.80 C ATOM 1168 CD LYS A 83 -5.601 11.644 -5.594 1.00 0.55 C ATOM 1169 CE LYS A 83 -6.224 10.704 -6.615 1.00 1.14 C ATOM 1170 NZ LYS A 83 -6.104 11.219 -8.004 1.00 1.70 N ATOM 0 H LYS A 83 -4.263 9.493 -2.772 1.00 0.21 H new ATOM 0 HA LYS A 83 -4.047 12.071 -1.370 1.00 0.23 H new ATOM 0 HB2 LYS A 83 -6.131 12.698 -2.766 1.00 0.30 H new ATOM 0 HB3 LYS A 83 -4.583 12.781 -3.584 1.00 0.30 H new ATOM 0 HG2 LYS A 83 -5.300 10.175 -4.080 1.00 0.80 H new ATOM 0 HG3 LYS A 83 -6.871 10.949 -4.031 1.00 0.80 H new ATOM 0 HD2 LYS A 83 -6.041 12.636 -5.692 1.00 0.55 H new ATOM 0 HD3 LYS A 83 -4.534 11.747 -5.793 1.00 0.55 H new ATOM 0 HE2 LYS A 83 -5.742 9.729 -6.549 1.00 1.14 H new ATOM 0 HE3 LYS A 83 -7.277 10.556 -6.374 1.00 1.14 H new ATOM 0 HZ1 LYS A 83 -6.051 10.420 -8.667 1.00 1.70 H new ATOM 0 HZ2 LYS A 83 -6.934 11.802 -8.231 1.00 1.70 H new ATOM 0 HZ3 LYS A 83 -5.243 11.796 -8.087 1.00 1.70 H new ATOM 1184 N SER A 84 -6.361 11.686 -0.320 1.00 0.26 N ATOM 1185 CA SER A 84 -7.494 11.313 0.493 1.00 0.26 C ATOM 1186 C SER A 84 -8.736 12.011 -0.047 1.00 0.29 C ATOM 1187 O SER A 84 -8.625 13.046 -0.707 1.00 0.32 O ATOM 1188 CB SER A 84 -7.241 11.678 1.956 1.00 0.30 C ATOM 1189 OG SER A 84 -7.015 13.069 2.104 1.00 0.72 O ATOM 0 H SER A 84 -6.128 12.679 -0.287 1.00 0.26 H new ATOM 0 HA SER A 84 -7.647 10.235 0.449 1.00 0.26 H new ATOM 0 HB2 SER A 84 -8.097 11.379 2.562 1.00 0.30 H new ATOM 0 HB3 SER A 84 -6.379 11.125 2.328 1.00 0.30 H new ATOM 0 HG SER A 84 -6.858 13.276 3.049 1.00 0.72 H new ATOM 1195 N GLN A 85 -9.905 11.428 0.192 1.00 0.30 N ATOM 1196 CA GLN A 85 -11.162 11.997 -0.299 1.00 0.37 C ATOM 1197 C GLN A 85 -11.405 13.394 0.273 1.00 0.44 C ATOM 1198 O GLN A 85 -10.634 13.872 1.103 1.00 0.47 O ATOM 1199 CB GLN A 85 -12.339 11.088 0.054 1.00 0.37 C ATOM 1200 CG GLN A 85 -13.021 10.474 -1.156 1.00 0.41 C ATOM 1201 CD GLN A 85 -12.162 9.441 -1.856 1.00 0.39 C ATOM 1202 OE1 GLN A 85 -11.363 8.715 -1.090 1.00 0.46 O flip ATOM 1203 NE2 GLN A 85 -12.229 9.284 -3.072 1.00 0.34 N flip ATOM 0 H GLN A 85 -10.012 10.563 0.722 1.00 0.30 H new ATOM 0 HA GLN A 85 -11.081 12.077 -1.383 1.00 0.37 H new ATOM 0 HB2 GLN A 85 -11.986 10.289 0.706 1.00 0.37 H new ATOM 0 HB3 GLN A 85 -13.072 11.662 0.621 1.00 0.37 H new ATOM 0 HG2 GLN A 85 -13.956 10.010 -0.843 1.00 0.41 H new ATOM 0 HG3 GLN A 85 -13.278 11.264 -1.862 1.00 0.41 H new ATOM 0 HE21 GLN A 85 -12.858 9.864 -3.627 1.00 0.34 H new ATOM 0 HE22 GLN A 85 -11.656 8.573 -3.527 1.00 0.34 H new ATOM 1212 N ALA A 86 -12.473 14.044 -0.163 1.00 0.52 N ATOM 1213 CA ALA A 86 -12.774 15.388 0.308 1.00 0.61 C ATOM 1214 C ALA A 86 -13.056 15.388 1.809 1.00 0.67 C ATOM 1215 O ALA A 86 -12.521 16.214 2.554 1.00 0.72 O ATOM 1216 CB ALA A 86 -13.953 15.957 -0.462 1.00 0.71 C ATOM 0 H ALA A 86 -13.141 13.668 -0.836 1.00 0.52 H new ATOM 0 HA ALA A 86 -11.904 16.021 0.132 1.00 0.61 H new ATOM 0 HB1 ALA A 86 -14.171 16.963 -0.103 1.00 0.71 H new ATOM 0 HB2 ALA A 86 -13.710 15.996 -1.524 1.00 0.71 H new ATOM 0 HB3 ALA A 86 -14.826 15.321 -0.313 1.00 0.71 H new ATOM 1222 N ASP A 87 -13.869 14.435 2.252 1.00 0.71 N ATOM 1223 CA ASP A 87 -14.158 14.282 3.675 1.00 0.80 C ATOM 1224 C ASP A 87 -13.422 13.071 4.235 1.00 0.65 C ATOM 1225 O ASP A 87 -13.078 13.036 5.417 1.00 0.69 O ATOM 1226 CB ASP A 87 -15.667 14.118 3.864 1.00 0.98 C ATOM 1227 CG ASP A 87 -16.052 13.703 5.269 1.00 1.32 C ATOM 1228 OD1 ASP A 87 -16.061 14.573 6.166 1.00 1.59 O ATOM 1229 OD2 ASP A 87 -16.329 12.505 5.486 1.00 1.50 O ATOM 0 H ASP A 87 -14.338 13.759 1.650 1.00 0.71 H new ATOM 0 HA ASP A 87 -13.819 15.168 4.212 1.00 0.80 H new ATOM 0 HB2 ASP A 87 -16.161 15.059 3.622 1.00 0.98 H new ATOM 0 HB3 ASP A 87 -16.036 13.374 3.158 1.00 0.98 H new ATOM 1234 N ASN A 88 -13.151 12.119 3.338 1.00 0.50 N ATOM 1235 CA ASN A 88 -12.320 10.929 3.589 1.00 0.37 C ATOM 1236 C ASN A 88 -12.401 10.373 5.014 1.00 0.39 C ATOM 1237 O ASN A 88 -11.384 9.936 5.558 1.00 0.44 O ATOM 1238 CB ASN A 88 -10.854 11.209 3.225 1.00 0.36 C ATOM 1239 CG ASN A 88 -10.179 12.263 4.100 1.00 0.49 C ATOM 1240 OD1 ASN A 88 -9.461 11.826 5.123 1.00 1.10 O flip ATOM 1241 ND2 ASN A 88 -10.283 13.460 3.847 1.00 1.14 N flip ATOM 0 H ASN A 88 -13.514 12.153 2.385 1.00 0.50 H new ATOM 0 HA ASN A 88 -12.736 10.155 2.944 1.00 0.37 H new ATOM 0 HB2 ASN A 88 -10.290 10.279 3.297 1.00 0.36 H new ATOM 0 HB3 ASN A 88 -10.805 11.532 2.185 1.00 0.36 H new ATOM 0 HD21 ASN A 88 -10.843 13.766 3.052 1.00 1.14 H new ATOM 0 HD22 ASN A 88 -9.809 14.148 4.432 1.00 1.14 H new ATOM 1248 N THR A 89 -13.599 10.342 5.600 1.00 0.43 N ATOM 1249 CA THR A 89 -13.748 9.824 6.954 1.00 0.48 C ATOM 1250 C THR A 89 -13.136 8.431 7.066 1.00 0.43 C ATOM 1251 O THR A 89 -12.207 8.226 7.841 1.00 0.48 O ATOM 1252 CB THR A 89 -15.221 9.795 7.418 1.00 0.58 C ATOM 1253 OG1 THR A 89 -15.723 11.130 7.546 1.00 0.68 O ATOM 1254 CG2 THR A 89 -15.357 9.078 8.755 1.00 0.67 C ATOM 0 H THR A 89 -14.464 10.664 5.165 1.00 0.43 H new ATOM 0 HA THR A 89 -13.214 10.508 7.613 1.00 0.48 H new ATOM 0 HB THR A 89 -15.799 9.255 6.668 1.00 0.58 H new ATOM 0 HG1 THR A 89 -16.176 11.390 6.717 1.00 0.68 H new ATOM 0 HG21 THR A 89 -16.404 9.071 9.059 1.00 0.67 H new ATOM 0 HG22 THR A 89 -15.001 8.052 8.656 1.00 0.67 H new ATOM 0 HG23 THR A 89 -14.763 9.596 9.508 1.00 0.67 H new ATOM 1262 N LYS A 90 -13.666 7.468 6.324 1.00 0.38 N ATOM 1263 CA LYS A 90 -13.048 6.152 6.264 1.00 0.35 C ATOM 1264 C LYS A 90 -12.522 5.815 4.863 1.00 0.29 C ATOM 1265 O LYS A 90 -12.152 4.674 4.601 1.00 0.32 O ATOM 1266 CB LYS A 90 -14.007 5.074 6.778 1.00 0.44 C ATOM 1267 CG LYS A 90 -15.310 4.957 6.000 1.00 0.68 C ATOM 1268 CD LYS A 90 -16.286 4.010 6.691 1.00 0.78 C ATOM 1269 CE LYS A 90 -15.672 2.638 6.928 1.00 1.07 C ATOM 1270 NZ LYS A 90 -16.616 1.705 7.598 1.00 1.47 N ATOM 0 H LYS A 90 -14.511 7.571 5.762 1.00 0.38 H new ATOM 0 HA LYS A 90 -12.179 6.175 6.922 1.00 0.35 H new ATOM 0 HB2 LYS A 90 -13.497 4.111 6.752 1.00 0.44 H new ATOM 0 HB3 LYS A 90 -14.241 5.283 7.822 1.00 0.44 H new ATOM 0 HG2 LYS A 90 -15.766 5.942 5.900 1.00 0.68 H new ATOM 0 HG3 LYS A 90 -15.103 4.597 4.992 1.00 0.68 H new ATOM 0 HD2 LYS A 90 -16.595 4.439 7.644 1.00 0.78 H new ATOM 0 HD3 LYS A 90 -17.184 3.906 6.082 1.00 0.78 H new ATOM 0 HE2 LYS A 90 -15.360 2.213 5.974 1.00 1.07 H new ATOM 0 HE3 LYS A 90 -14.775 2.744 7.538 1.00 1.07 H new ATOM 0 HZ1 LYS A 90 -16.153 0.784 7.738 1.00 1.47 H new ATOM 0 HZ2 LYS A 90 -16.895 2.096 8.520 1.00 1.47 H new ATOM 0 HZ3 LYS A 90 -17.461 1.581 7.005 1.00 1.47 H new ATOM 1284 N VAL A 91 -12.452 6.804 3.973 1.00 0.27 N ATOM 1285 CA VAL A 91 -12.135 6.533 2.567 1.00 0.25 C ATOM 1286 C VAL A 91 -10.786 7.119 2.137 1.00 0.22 C ATOM 1287 O VAL A 91 -10.462 8.263 2.452 1.00 0.31 O ATOM 1288 CB VAL A 91 -13.224 7.098 1.635 1.00 0.29 C ATOM 1289 CG1 VAL A 91 -13.089 6.514 0.237 1.00 0.35 C ATOM 1290 CG2 VAL A 91 -14.610 6.828 2.191 1.00 0.39 C ATOM 0 H VAL A 91 -12.608 7.788 4.193 1.00 0.27 H new ATOM 0 HA VAL A 91 -12.085 5.447 2.482 1.00 0.25 H new ATOM 0 HB VAL A 91 -13.087 8.178 1.574 1.00 0.29 H new ATOM 0 HG11 VAL A 91 -13.867 6.925 -0.406 1.00 0.35 H new ATOM 0 HG12 VAL A 91 -12.110 6.767 -0.170 1.00 0.35 H new ATOM 0 HG13 VAL A 91 -13.193 5.430 0.284 1.00 0.35 H new ATOM 0 HG21 VAL A 91 -15.360 7.237 1.514 1.00 0.39 H new ATOM 0 HG22 VAL A 91 -14.759 5.753 2.290 1.00 0.39 H new ATOM 0 HG23 VAL A 91 -14.708 7.300 3.169 1.00 0.39 H new ATOM 1300 N LEU A 92 -10.016 6.321 1.406 1.00 0.20 N ATOM 1301 CA LEU A 92 -8.753 6.752 0.801 1.00 0.17 C ATOM 1302 C LEU A 92 -8.842 6.638 -0.715 1.00 0.17 C ATOM 1303 O LEU A 92 -9.627 5.851 -1.221 1.00 0.19 O ATOM 1304 CB LEU A 92 -7.585 5.902 1.295 1.00 0.17 C ATOM 1305 CG LEU A 92 -6.837 6.422 2.524 1.00 0.18 C ATOM 1306 CD1 LEU A 92 -7.783 6.686 3.683 1.00 0.22 C ATOM 1307 CD2 LEU A 92 -5.768 5.423 2.926 1.00 0.19 C ATOM 0 H LEU A 92 -10.250 5.347 1.213 1.00 0.20 H new ATOM 0 HA LEU A 92 -8.579 7.788 1.091 1.00 0.17 H new ATOM 0 HB2 LEU A 92 -7.960 4.904 1.521 1.00 0.17 H new ATOM 0 HB3 LEU A 92 -6.870 5.797 0.479 1.00 0.17 H new ATOM 0 HG LEU A 92 -6.368 7.371 2.265 1.00 0.18 H new ATOM 0 HD11 LEU A 92 -7.217 7.054 4.538 1.00 0.22 H new ATOM 0 HD12 LEU A 92 -8.521 7.432 3.388 1.00 0.22 H new ATOM 0 HD13 LEU A 92 -8.292 5.761 3.955 1.00 0.22 H new ATOM 0 HD21 LEU A 92 -5.235 5.793 3.802 1.00 0.19 H new ATOM 0 HD22 LEU A 92 -6.234 4.467 3.163 1.00 0.19 H new ATOM 0 HD23 LEU A 92 -5.066 5.291 2.103 1.00 0.19 H new ATOM 1319 N VAL A 93 -8.080 7.447 -1.438 1.00 0.17 N ATOM 1320 CA VAL A 93 -8.092 7.400 -2.896 1.00 0.18 C ATOM 1321 C VAL A 93 -6.666 7.441 -3.468 1.00 0.17 C ATOM 1322 O VAL A 93 -5.923 8.392 -3.263 1.00 0.19 O ATOM 1323 CB VAL A 93 -8.956 8.545 -3.477 1.00 0.20 C ATOM 1324 CG1 VAL A 93 -8.679 9.853 -2.759 1.00 0.20 C ATOM 1325 CG2 VAL A 93 -8.733 8.698 -4.972 1.00 0.24 C ATOM 0 H VAL A 93 -7.447 8.142 -1.042 1.00 0.17 H new ATOM 0 HA VAL A 93 -8.540 6.452 -3.195 1.00 0.18 H new ATOM 0 HB VAL A 93 -10.002 8.283 -3.317 1.00 0.20 H new ATOM 0 HG11 VAL A 93 -9.299 10.641 -3.186 1.00 0.20 H new ATOM 0 HG12 VAL A 93 -8.911 9.743 -1.700 1.00 0.20 H new ATOM 0 HG13 VAL A 93 -7.627 10.116 -2.874 1.00 0.20 H new ATOM 0 HG21 VAL A 93 -9.354 9.510 -5.351 1.00 0.24 H new ATOM 0 HG22 VAL A 93 -7.684 8.924 -5.162 1.00 0.24 H new ATOM 0 HG23 VAL A 93 -9.002 7.770 -5.477 1.00 0.24 H new ATOM 1335 N ILE A 94 -6.282 6.382 -4.164 1.00 0.16 N ATOM 1336 CA ILE A 94 -4.936 6.263 -4.723 1.00 0.15 C ATOM 1337 C ILE A 94 -5.012 5.869 -6.197 1.00 0.15 C ATOM 1338 O ILE A 94 -5.697 4.916 -6.548 1.00 0.17 O ATOM 1339 CB ILE A 94 -4.084 5.212 -3.958 1.00 0.16 C ATOM 1340 CG1 ILE A 94 -3.614 5.747 -2.596 1.00 0.17 C ATOM 1341 CG2 ILE A 94 -2.887 4.768 -4.787 1.00 0.16 C ATOM 1342 CD1 ILE A 94 -4.682 5.749 -1.523 1.00 0.18 C ATOM 0 H ILE A 94 -6.887 5.584 -4.359 1.00 0.16 H new ATOM 0 HA ILE A 94 -4.455 7.236 -4.620 1.00 0.15 H new ATOM 0 HB ILE A 94 -4.725 4.349 -3.780 1.00 0.16 H new ATOM 0 HG12 ILE A 94 -2.773 5.145 -2.253 1.00 0.17 H new ATOM 0 HG13 ILE A 94 -3.245 6.764 -2.726 1.00 0.17 H new ATOM 0 HG21 ILE A 94 -2.309 4.033 -4.227 1.00 0.16 H new ATOM 0 HG22 ILE A 94 -3.235 4.323 -5.719 1.00 0.16 H new ATOM 0 HG23 ILE A 94 -2.259 5.630 -5.010 1.00 0.16 H new ATOM 0 HD11 ILE A 94 -4.265 6.142 -0.595 1.00 0.18 H new ATOM 0 HD12 ILE A 94 -5.515 6.376 -1.840 1.00 0.18 H new ATOM 0 HD13 ILE A 94 -5.036 4.731 -1.360 1.00 0.18 H new ATOM 1354 N THR A 95 -4.303 6.594 -7.050 1.00 0.14 N ATOM 1355 CA THR A 95 -4.322 6.320 -8.482 1.00 0.13 C ATOM 1356 C THR A 95 -2.910 5.973 -8.970 1.00 0.11 C ATOM 1357 O THR A 95 -1.925 6.521 -8.470 1.00 0.12 O ATOM 1358 CB THR A 95 -4.862 7.536 -9.261 1.00 0.16 C ATOM 1359 OG1 THR A 95 -6.048 8.033 -8.625 1.00 0.20 O ATOM 1360 CG2 THR A 95 -5.184 7.163 -10.701 1.00 0.16 C ATOM 0 H THR A 95 -3.708 7.376 -6.777 1.00 0.14 H new ATOM 0 HA THR A 95 -4.982 5.471 -8.661 1.00 0.13 H new ATOM 0 HB THR A 95 -4.091 8.306 -9.264 1.00 0.16 H new ATOM 0 HG1 THR A 95 -6.559 8.575 -9.262 1.00 0.20 H new ATOM 0 HG21 THR A 95 -5.563 8.039 -11.228 1.00 0.16 H new ATOM 0 HG22 THR A 95 -4.281 6.805 -11.195 1.00 0.16 H new ATOM 0 HG23 THR A 95 -5.939 6.377 -10.713 1.00 0.16 H new ATOM 1368 N VAL A 96 -2.811 5.068 -9.938 1.00 0.11 N ATOM 1369 CA VAL A 96 -1.520 4.612 -10.434 1.00 0.10 C ATOM 1370 C VAL A 96 -1.371 4.831 -11.941 1.00 0.11 C ATOM 1371 O VAL A 96 -2.350 4.764 -12.687 1.00 0.14 O ATOM 1372 CB VAL A 96 -1.313 3.118 -10.107 1.00 0.12 C ATOM 1373 CG1 VAL A 96 -2.552 2.315 -10.445 1.00 0.14 C ATOM 1374 CG2 VAL A 96 -0.113 2.556 -10.845 1.00 0.14 C ATOM 0 H VAL A 96 -3.613 4.635 -10.395 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.758 5.207 -9.931 1.00 0.10 H new ATOM 0 HB VAL A 96 -1.126 3.040 -9.036 1.00 0.12 H new ATOM 0 HG11 VAL A 96 -2.382 1.265 -10.206 1.00 0.14 H new ATOM 0 HG12 VAL A 96 -3.396 2.687 -9.865 1.00 0.14 H new ATOM 0 HG13 VAL A 96 -2.771 2.414 -11.508 1.00 0.14 H new ATOM 0 HG21 VAL A 96 0.007 1.502 -10.595 1.00 0.14 H new ATOM 0 HG22 VAL A 96 -0.266 2.659 -11.919 1.00 0.14 H new ATOM 0 HG23 VAL A 96 0.783 3.103 -10.552 1.00 0.14 H new ATOM 1384 N ASN A 97 -0.140 5.106 -12.375 1.00 0.14 N ATOM 1385 CA ASN A 97 0.180 5.180 -13.795 1.00 0.23 C ATOM 1386 C ASN A 97 1.178 4.078 -14.152 1.00 0.34 C ATOM 1387 O ASN A 97 1.931 3.636 -13.288 1.00 0.81 O ATOM 1388 CB ASN A 97 0.756 6.553 -14.176 1.00 0.44 C ATOM 1389 CG ASN A 97 2.221 6.731 -13.791 1.00 1.14 C ATOM 1390 OD1 ASN A 97 2.469 7.308 -12.627 1.00 1.45 O flip ATOM 1391 ND2 ASN A 97 3.124 6.374 -14.549 1.00 1.87 N flip ATOM 0 H ASN A 97 0.653 5.281 -11.758 1.00 0.14 H new ATOM 0 HA ASN A 97 -0.743 5.041 -14.358 1.00 0.23 H new ATOM 0 HB2 ASN A 97 0.652 6.695 -15.252 1.00 0.44 H new ATOM 0 HB3 ASN A 97 0.165 7.332 -13.693 1.00 0.44 H new ATOM 0 HD21 ASN A 97 2.897 5.932 -15.440 1.00 1.87 H new ATOM 0 HD22 ASN A 97 4.099 6.521 -14.286 1.00 1.87 H new ATOM 1398 N ASN A 98 1.162 3.659 -15.424 1.00 0.42 N ATOM 1399 CA ASN A 98 2.021 2.589 -15.981 1.00 0.43 C ATOM 1400 C ASN A 98 1.293 1.229 -15.975 1.00 0.38 C ATOM 1401 O ASN A 98 1.044 0.690 -17.057 1.00 0.43 O ATOM 1402 CB ASN A 98 3.420 2.527 -15.338 1.00 0.51 C ATOM 1403 CG ASN A 98 4.337 1.528 -16.022 1.00 0.58 C ATOM 1404 OD1 ASN A 98 4.387 0.307 -15.514 1.00 0.75 O flip ATOM 1405 ND2 ASN A 98 5.013 1.859 -16.997 1.00 0.57 N flip ATOM 0 H ASN A 98 0.535 4.063 -16.120 1.00 0.42 H new ATOM 0 HA ASN A 98 2.209 2.849 -17.023 1.00 0.43 H new ATOM 0 HB2 ASN A 98 3.876 3.516 -15.374 1.00 0.51 H new ATOM 0 HB3 ASN A 98 3.320 2.261 -14.286 1.00 0.51 H new ATOM 0 HD21 ASN A 98 4.950 2.809 -17.363 1.00 0.57 H new ATOM 0 HD22 ASN A 98 5.636 1.183 -17.439 1.00 0.57 H new ATOM 1412 N PRO A 99 0.938 0.624 -14.809 1.00 0.35 N ATOM 1413 CA PRO A 99 -0.107 -0.406 -14.780 1.00 0.34 C ATOM 1414 C PRO A 99 -1.423 0.173 -15.280 1.00 0.30 C ATOM 1415 O PRO A 99 -1.531 1.385 -15.472 1.00 0.29 O ATOM 1416 CB PRO A 99 -0.230 -0.779 -13.300 1.00 0.36 C ATOM 1417 CG PRO A 99 1.071 -0.394 -12.704 1.00 0.40 C ATOM 1418 CD PRO A 99 1.538 0.809 -13.470 1.00 0.38 C ATOM 0 HA PRO A 99 0.131 -1.262 -15.411 1.00 0.34 H new ATOM 0 HB2 PRO A 99 -1.055 -0.248 -12.825 1.00 0.36 H new ATOM 0 HB3 PRO A 99 -0.423 -1.845 -13.175 1.00 0.36 H new ATOM 0 HG2 PRO A 99 0.962 -0.163 -11.644 1.00 0.40 H new ATOM 0 HG3 PRO A 99 1.791 -1.209 -12.780 1.00 0.40 H new ATOM 0 HD2 PRO A 99 1.202 1.736 -13.005 1.00 0.38 H new ATOM 0 HD3 PRO A 99 2.626 0.854 -13.521 1.00 0.38 H new ATOM 1426 N GLN A 100 -2.417 -0.676 -15.500 1.00 0.34 N ATOM 1427 CA GLN A 100 -3.713 -0.197 -15.957 1.00 0.36 C ATOM 1428 C GLN A 100 -4.300 0.740 -14.912 1.00 0.32 C ATOM 1429 O GLN A 100 -4.604 0.313 -13.795 1.00 0.31 O ATOM 1430 CB GLN A 100 -4.669 -1.360 -16.211 1.00 0.46 C ATOM 1431 CG GLN A 100 -4.255 -2.251 -17.368 1.00 1.17 C ATOM 1432 CD GLN A 100 -5.291 -3.310 -17.684 1.00 1.25 C ATOM 1433 OE1 GLN A 100 -6.493 -3.104 -17.482 1.00 1.54 O ATOM 1434 NE2 GLN A 100 -4.839 -4.446 -18.190 1.00 1.87 N ATOM 0 H GLN A 100 -2.353 -1.686 -15.372 1.00 0.34 H new ATOM 0 HA GLN A 100 -3.576 0.338 -16.897 1.00 0.36 H new ATOM 0 HB2 GLN A 100 -4.740 -1.964 -15.307 1.00 0.46 H new ATOM 0 HB3 GLN A 100 -5.665 -0.963 -16.408 1.00 0.46 H new ATOM 0 HG2 GLN A 100 -4.086 -1.637 -18.253 1.00 1.17 H new ATOM 0 HG3 GLN A 100 -3.307 -2.734 -17.129 1.00 1.17 H new ATOM 0 HE21 GLN A 100 -3.838 -4.575 -18.341 1.00 1.87 H new ATOM 0 HE22 GLN A 100 -5.491 -5.193 -18.429 1.00 1.87 H new ATOM 1443 N PRO A 101 -4.437 2.037 -15.260 1.00 0.36 N ATOM 1444 CA PRO A 101 -4.851 3.080 -14.322 1.00 0.35 C ATOM 1445 C PRO A 101 -6.054 2.672 -13.493 1.00 0.32 C ATOM 1446 O PRO A 101 -7.162 2.513 -14.009 1.00 0.39 O ATOM 1447 CB PRO A 101 -5.194 4.256 -15.233 1.00 0.45 C ATOM 1448 CG PRO A 101 -4.310 4.071 -16.415 1.00 0.57 C ATOM 1449 CD PRO A 101 -4.193 2.584 -16.611 1.00 0.46 C ATOM 0 HA PRO A 101 -4.074 3.304 -13.591 1.00 0.35 H new ATOM 0 HB2 PRO A 101 -6.246 4.246 -15.517 1.00 0.45 H new ATOM 0 HB3 PRO A 101 -5.006 5.210 -14.740 1.00 0.45 H new ATOM 0 HG2 PRO A 101 -4.733 4.550 -17.298 1.00 0.57 H new ATOM 0 HG3 PRO A 101 -3.332 4.521 -16.246 1.00 0.57 H new ATOM 0 HD2 PRO A 101 -4.924 2.215 -17.331 1.00 0.46 H new ATOM 0 HD3 PRO A 101 -3.208 2.305 -16.985 1.00 0.46 H new ATOM 1457 N THR A 102 -5.813 2.486 -12.211 1.00 0.26 N ATOM 1458 CA THR A 102 -6.847 2.099 -11.281 1.00 0.25 C ATOM 1459 C THR A 102 -6.749 2.968 -10.037 1.00 0.21 C ATOM 1460 O THR A 102 -5.651 3.359 -9.633 1.00 0.22 O ATOM 1461 CB THR A 102 -6.716 0.611 -10.885 1.00 0.27 C ATOM 1462 OG1 THR A 102 -6.603 -0.204 -12.062 1.00 0.33 O ATOM 1463 CG2 THR A 102 -7.916 0.152 -10.069 1.00 0.30 C ATOM 0 H THR A 102 -4.892 2.600 -11.787 1.00 0.26 H new ATOM 0 HA THR A 102 -7.815 2.237 -11.762 1.00 0.25 H new ATOM 0 HB THR A 102 -5.819 0.505 -10.275 1.00 0.27 H new ATOM 0 HG1 THR A 102 -5.734 -0.047 -12.486 1.00 0.33 H new ATOM 0 HG21 THR A 102 -7.796 -0.899 -9.805 1.00 0.30 H new ATOM 0 HG22 THR A 102 -7.988 0.749 -9.160 1.00 0.30 H new ATOM 0 HG23 THR A 102 -8.825 0.277 -10.657 1.00 0.30 H new ATOM 1471 N THR A 103 -7.883 3.283 -9.448 1.00 0.21 N ATOM 1472 CA THR A 103 -7.915 4.111 -8.264 1.00 0.19 C ATOM 1473 C THR A 103 -8.426 3.303 -7.079 1.00 0.20 C ATOM 1474 O THR A 103 -9.600 2.945 -7.014 1.00 0.28 O ATOM 1475 CB THR A 103 -8.789 5.356 -8.486 1.00 0.20 C ATOM 1476 OG1 THR A 103 -8.288 6.109 -9.600 1.00 0.22 O ATOM 1477 CG2 THR A 103 -8.813 6.235 -7.250 1.00 0.22 C ATOM 0 H THR A 103 -8.800 2.975 -9.773 1.00 0.21 H new ATOM 0 HA THR A 103 -6.901 4.449 -8.051 1.00 0.19 H new ATOM 0 HB THR A 103 -9.806 5.024 -8.692 1.00 0.20 H new ATOM 0 HG1 THR A 103 -7.583 6.717 -9.293 1.00 0.22 H new ATOM 0 HG21 THR A 103 -9.439 7.108 -7.436 1.00 0.22 H new ATOM 0 HG22 THR A 103 -9.218 5.671 -6.410 1.00 0.22 H new ATOM 0 HG23 THR A 103 -7.799 6.559 -7.014 1.00 0.22 H new ATOM 1485 N TYR A 104 -7.530 3.009 -6.157 1.00 0.17 N ATOM 1486 CA TYR A 104 -7.833 2.144 -5.034 1.00 0.18 C ATOM 1487 C TYR A 104 -8.339 2.951 -3.854 1.00 0.19 C ATOM 1488 O TYR A 104 -7.690 3.903 -3.420 1.00 0.20 O ATOM 1489 CB TYR A 104 -6.584 1.365 -4.626 1.00 0.19 C ATOM 1490 CG TYR A 104 -5.923 0.658 -5.783 1.00 0.20 C ATOM 1491 CD1 TYR A 104 -6.482 -0.488 -6.328 1.00 0.22 C ATOM 1492 CD2 TYR A 104 -4.741 1.142 -6.331 1.00 0.23 C ATOM 1493 CE1 TYR A 104 -5.879 -1.134 -7.394 1.00 0.26 C ATOM 1494 CE2 TYR A 104 -4.134 0.503 -7.394 1.00 0.25 C ATOM 1495 CZ TYR A 104 -4.705 -0.633 -7.922 1.00 0.26 C ATOM 1496 OH TYR A 104 -4.100 -1.274 -8.980 1.00 0.30 O ATOM 0 H TYR A 104 -6.573 3.362 -6.165 1.00 0.17 H new ATOM 0 HA TYR A 104 -8.614 1.447 -5.339 1.00 0.18 H new ATOM 0 HB2 TYR A 104 -5.869 2.050 -4.170 1.00 0.19 H new ATOM 0 HB3 TYR A 104 -6.853 0.632 -3.866 1.00 0.19 H new ATOM 0 HD1 TYR A 104 -7.399 -0.882 -5.916 1.00 0.22 H new ATOM 0 HD2 TYR A 104 -4.290 2.032 -5.919 1.00 0.23 H new ATOM 0 HE1 TYR A 104 -6.324 -2.025 -7.811 1.00 0.26 H new ATOM 0 HE2 TYR A 104 -3.216 0.892 -7.809 1.00 0.25 H new ATOM 0 HH TYR A 104 -3.284 -0.792 -9.231 1.00 0.30 H new ATOM 1506 N ASN A 105 -9.507 2.585 -3.352 1.00 0.18 N ATOM 1507 CA ASN A 105 -10.042 3.227 -2.165 1.00 0.18 C ATOM 1508 C ASN A 105 -9.834 2.328 -0.965 1.00 0.17 C ATOM 1509 O ASN A 105 -10.515 1.312 -0.819 1.00 0.16 O ATOM 1510 CB ASN A 105 -11.536 3.559 -2.298 1.00 0.20 C ATOM 1511 CG ASN A 105 -11.851 4.589 -3.373 1.00 0.24 C ATOM 1512 OD1 ASN A 105 -11.189 4.499 -4.511 1.00 0.46 O flip ATOM 1513 ND2 ASN A 105 -12.723 5.438 -3.189 1.00 0.26 N flip ATOM 0 H ASN A 105 -10.098 1.852 -3.745 1.00 0.18 H new ATOM 0 HA ASN A 105 -9.507 4.168 -2.037 1.00 0.18 H new ATOM 0 HB2 ASN A 105 -12.083 2.642 -2.518 1.00 0.20 H new ATOM 0 HB3 ASN A 105 -11.902 3.927 -1.339 1.00 0.20 H new ATOM 0 HD21 ASN A 105 -13.215 5.479 -2.296 1.00 0.26 H new ATOM 0 HD22 ASN A 105 -12.954 6.101 -3.929 1.00 0.26 H new ATOM 1520 N PHE A 106 -8.886 2.692 -0.116 1.00 0.18 N ATOM 1521 CA PHE A 106 -8.617 1.919 1.084 1.00 0.17 C ATOM 1522 C PHE A 106 -9.573 2.349 2.187 1.00 0.19 C ATOM 1523 O PHE A 106 -9.493 3.468 2.698 1.00 0.23 O ATOM 1524 CB PHE A 106 -7.165 2.105 1.543 1.00 0.19 C ATOM 1525 CG PHE A 106 -6.131 1.686 0.530 1.00 0.18 C ATOM 1526 CD1 PHE A 106 -5.976 0.352 0.197 1.00 0.21 C ATOM 1527 CD2 PHE A 106 -5.318 2.622 -0.091 1.00 0.31 C ATOM 1528 CE1 PHE A 106 -5.034 -0.041 -0.737 1.00 0.21 C ATOM 1529 CE2 PHE A 106 -4.376 2.236 -1.025 1.00 0.34 C ATOM 1530 CZ PHE A 106 -4.209 0.923 -1.331 1.00 0.23 C ATOM 0 H PHE A 106 -8.293 3.514 -0.235 1.00 0.18 H new ATOM 0 HA PHE A 106 -8.767 0.863 0.861 1.00 0.17 H new ATOM 0 HB2 PHE A 106 -7.007 3.155 1.792 1.00 0.19 H new ATOM 0 HB3 PHE A 106 -7.011 1.534 2.459 1.00 0.19 H new ATOM 0 HD1 PHE A 106 -6.598 -0.392 0.672 1.00 0.21 H new ATOM 0 HD2 PHE A 106 -5.423 3.667 0.159 1.00 0.31 H new ATOM 0 HE1 PHE A 106 -4.935 -1.082 -1.006 1.00 0.21 H new ATOM 0 HE2 PHE A 106 -3.769 2.983 -1.515 1.00 0.34 H new ATOM 0 HZ PHE A 106 -3.442 0.623 -2.030 1.00 0.23 H new ATOM 1540 N THR A 107 -10.483 1.459 2.533 1.00 0.17 N ATOM 1541 CA THR A 107 -11.506 1.743 3.522 1.00 0.21 C ATOM 1542 C THR A 107 -11.410 0.757 4.683 1.00 0.20 C ATOM 1543 O THR A 107 -11.254 -0.436 4.472 1.00 0.22 O ATOM 1544 CB THR A 107 -12.901 1.648 2.872 1.00 0.26 C ATOM 1545 OG1 THR A 107 -12.924 2.442 1.679 1.00 0.39 O ATOM 1546 CG2 THR A 107 -13.986 2.121 3.824 1.00 0.35 C ATOM 0 H THR A 107 -10.534 0.520 2.138 1.00 0.17 H new ATOM 0 HA THR A 107 -11.353 2.752 3.905 1.00 0.21 H new ATOM 0 HB THR A 107 -13.097 0.604 2.629 1.00 0.26 H new ATOM 0 HG1 THR A 107 -13.494 3.227 1.819 1.00 0.39 H new ATOM 0 HG21 THR A 107 -14.958 2.042 3.336 1.00 0.35 H new ATOM 0 HG22 THR A 107 -13.978 1.502 4.721 1.00 0.35 H new ATOM 0 HG23 THR A 107 -13.802 3.160 4.099 1.00 0.35 H new ATOM 1554 N PHE A 108 -11.479 1.250 5.907 1.00 0.28 N ATOM 1555 CA PHE A 108 -11.425 0.372 7.063 1.00 0.26 C ATOM 1556 C PHE A 108 -12.397 0.850 8.130 1.00 0.27 C ATOM 1557 O PHE A 108 -12.914 1.964 8.045 1.00 0.33 O ATOM 1558 CB PHE A 108 -10.005 0.301 7.645 1.00 0.29 C ATOM 1559 CG PHE A 108 -9.787 -0.875 8.557 1.00 0.29 C ATOM 1560 CD1 PHE A 108 -9.281 -0.694 9.835 1.00 0.34 C ATOM 1561 CD2 PHE A 108 -10.087 -2.158 8.136 1.00 0.31 C ATOM 1562 CE1 PHE A 108 -9.077 -1.773 10.672 1.00 0.39 C ATOM 1563 CE2 PHE A 108 -9.886 -3.240 8.968 1.00 0.36 C ATOM 1564 CZ PHE A 108 -9.389 -3.042 10.247 1.00 0.38 C ATOM 0 H PHE A 108 -11.571 2.242 6.125 1.00 0.28 H new ATOM 0 HA PHE A 108 -11.709 -0.628 6.736 1.00 0.26 H new ATOM 0 HB2 PHE A 108 -9.287 0.253 6.826 1.00 0.29 H new ATOM 0 HB3 PHE A 108 -9.800 1.220 8.195 1.00 0.29 H new ATOM 0 HD1 PHE A 108 -9.044 0.302 10.180 1.00 0.34 H new ATOM 0 HD2 PHE A 108 -10.483 -2.315 7.144 1.00 0.31 H new ATOM 0 HE1 PHE A 108 -8.672 -1.620 11.661 1.00 0.39 H new ATOM 0 HE2 PHE A 108 -10.115 -4.238 8.624 1.00 0.36 H new ATOM 0 HZ PHE A 108 -9.247 -3.884 10.908 1.00 0.38 H new ATOM 1574 N LYS A 109 -12.615 0.023 9.137 1.00 0.25 N ATOM 1575 CA LYS A 109 -13.508 0.361 10.232 1.00 0.26 C ATOM 1576 C LYS A 109 -12.934 1.533 11.022 1.00 0.27 C ATOM 1577 O LYS A 109 -13.640 2.491 11.346 1.00 0.33 O ATOM 1578 CB LYS A 109 -13.691 -0.877 11.123 1.00 0.30 C ATOM 1579 CG LYS A 109 -14.612 -0.681 12.320 1.00 0.68 C ATOM 1580 CD LYS A 109 -13.874 -0.109 13.522 1.00 0.77 C ATOM 1581 CE LYS A 109 -14.801 0.069 14.712 1.00 1.16 C ATOM 1582 NZ LYS A 109 -15.365 -1.225 15.178 1.00 1.94 N ATOM 0 H LYS A 109 -12.181 -0.896 9.219 1.00 0.25 H new ATOM 0 HA LYS A 109 -14.482 0.663 9.847 1.00 0.26 H new ATOM 0 HB2 LYS A 109 -14.083 -1.690 10.512 1.00 0.30 H new ATOM 0 HB3 LYS A 109 -12.713 -1.193 11.485 1.00 0.30 H new ATOM 0 HG2 LYS A 109 -15.427 -0.012 12.044 1.00 0.68 H new ATOM 0 HG3 LYS A 109 -15.061 -1.636 12.592 1.00 0.68 H new ATOM 0 HD2 LYS A 109 -13.053 -0.772 13.795 1.00 0.77 H new ATOM 0 HD3 LYS A 109 -13.433 0.852 13.256 1.00 0.77 H new ATOM 0 HE2 LYS A 109 -14.255 0.542 15.529 1.00 1.16 H new ATOM 0 HE3 LYS A 109 -15.614 0.742 14.440 1.00 1.16 H new ATOM 0 HZ1 LYS A 109 -15.808 -1.095 16.110 1.00 1.94 H new ATOM 0 HZ2 LYS A 109 -16.079 -1.557 14.499 1.00 1.94 H new ATOM 0 HZ3 LYS A 109 -14.603 -1.929 15.252 1.00 1.94 H new ATOM 1596 N SER A 110 -11.639 1.454 11.290 1.00 0.28 N ATOM 1597 CA SER A 110 -10.947 2.464 12.070 1.00 0.32 C ATOM 1598 C SER A 110 -10.846 3.777 11.302 1.00 0.41 C ATOM 1599 O SER A 110 -10.281 3.822 10.205 1.00 0.50 O ATOM 1600 CB SER A 110 -9.545 1.973 12.418 1.00 0.36 C ATOM 1601 OG SER A 110 -8.808 2.956 13.128 1.00 1.03 O ATOM 0 H SER A 110 -11.042 0.690 10.973 1.00 0.28 H new ATOM 0 HA SER A 110 -11.517 2.639 12.982 1.00 0.32 H new ATOM 0 HB2 SER A 110 -9.615 1.066 13.018 1.00 0.36 H new ATOM 0 HB3 SER A 110 -9.014 1.709 11.503 1.00 0.36 H new ATOM 0 HG SER A 110 -7.916 2.609 13.336 1.00 1.03 H new ATOM 1607 N PRO A 111 -11.381 4.866 11.870 1.00 0.48 N ATOM 1608 CA PRO A 111 -11.256 6.206 11.295 1.00 0.59 C ATOM 1609 C PRO A 111 -9.822 6.734 11.363 1.00 0.67 C ATOM 1610 O PRO A 111 -9.552 7.865 10.975 1.00 1.09 O ATOM 1611 CB PRO A 111 -12.183 7.073 12.159 1.00 0.73 C ATOM 1612 CG PRO A 111 -13.023 6.110 12.927 1.00 0.77 C ATOM 1613 CD PRO A 111 -12.183 4.881 13.101 1.00 0.56 C ATOM 0 HA PRO A 111 -11.519 6.212 10.237 1.00 0.59 H new ATOM 0 HB2 PRO A 111 -11.610 7.715 12.828 1.00 0.73 H new ATOM 0 HB3 PRO A 111 -12.799 7.726 11.541 1.00 0.73 H new ATOM 0 HG2 PRO A 111 -13.311 6.526 13.892 1.00 0.77 H new ATOM 0 HG3 PRO A 111 -13.944 5.881 12.391 1.00 0.77 H new ATOM 0 HD2 PRO A 111 -11.558 4.940 13.992 1.00 0.56 H new ATOM 0 HD3 PRO A 111 -12.793 3.983 13.199 1.00 0.56 H new ATOM 1621 N GLY A 112 -8.901 5.908 11.844 1.00 0.44 N ATOM 1622 CA GLY A 112 -7.509 6.306 11.891 1.00 0.49 C ATOM 1623 C GLY A 112 -6.612 5.410 11.057 1.00 0.46 C ATOM 1624 O GLY A 112 -5.712 5.897 10.375 1.00 0.63 O ATOM 0 H GLY A 112 -9.093 4.972 12.201 1.00 0.44 H new ATOM 0 HA2 GLY A 112 -7.418 7.333 11.538 1.00 0.49 H new ATOM 0 HA3 GLY A 112 -7.167 6.293 12.926 1.00 0.49 H new ATOM 1628 N GLU A 113 -6.893 4.103 11.077 1.00 0.32 N ATOM 1629 CA GLU A 113 -6.023 3.092 10.465 1.00 0.30 C ATOM 1630 C GLU A 113 -5.656 3.437 9.025 1.00 0.31 C ATOM 1631 O GLU A 113 -4.495 3.345 8.621 1.00 0.34 O ATOM 1632 CB GLU A 113 -6.721 1.732 10.478 1.00 0.28 C ATOM 1633 CG GLU A 113 -5.812 0.580 10.093 1.00 0.32 C ATOM 1634 CD GLU A 113 -4.673 0.402 11.073 1.00 0.70 C ATOM 1635 OE1 GLU A 113 -4.836 -0.358 12.048 1.00 1.14 O ATOM 1636 OE2 GLU A 113 -3.606 1.017 10.867 1.00 0.76 O ATOM 0 H GLU A 113 -7.728 3.716 11.517 1.00 0.32 H new ATOM 0 HA GLU A 113 -5.106 3.063 11.053 1.00 0.30 H new ATOM 0 HB2 GLU A 113 -7.124 1.549 11.474 1.00 0.28 H new ATOM 0 HB3 GLU A 113 -7.568 1.761 9.792 1.00 0.28 H new ATOM 0 HG2 GLU A 113 -6.394 -0.340 10.044 1.00 0.32 H new ATOM 0 HG3 GLU A 113 -5.408 0.755 9.096 1.00 0.32 H new ATOM 1643 N ARG A 114 -6.656 3.838 8.262 1.00 0.35 N ATOM 1644 CA ARG A 114 -6.478 4.077 6.839 1.00 0.43 C ATOM 1645 C ARG A 114 -5.614 5.309 6.613 1.00 0.38 C ATOM 1646 O ARG A 114 -4.734 5.312 5.764 1.00 0.40 O ATOM 1647 CB ARG A 114 -7.829 4.270 6.159 1.00 0.61 C ATOM 1648 CG ARG A 114 -8.914 3.346 6.674 1.00 0.87 C ATOM 1649 CD ARG A 114 -10.200 4.111 6.936 1.00 0.65 C ATOM 1650 NE ARG A 114 -9.994 5.242 7.845 1.00 1.24 N ATOM 1651 CZ ARG A 114 -9.797 6.507 7.447 1.00 2.02 C ATOM 1652 NH1 ARG A 114 -9.833 6.820 6.157 1.00 2.55 N ATOM 1653 NH2 ARG A 114 -9.574 7.459 8.340 1.00 2.83 N ATOM 0 H ARG A 114 -7.602 4.006 8.603 1.00 0.35 H new ATOM 0 HA ARG A 114 -5.982 3.208 6.406 1.00 0.43 H new ATOM 0 HB2 ARG A 114 -8.150 5.303 6.297 1.00 0.61 H new ATOM 0 HB3 ARG A 114 -7.711 4.113 5.087 1.00 0.61 H new ATOM 0 HG2 ARG A 114 -9.099 2.555 5.947 1.00 0.87 H new ATOM 0 HG3 ARG A 114 -8.580 2.863 7.592 1.00 0.87 H new ATOM 0 HD2 ARG A 114 -10.604 4.475 5.991 1.00 0.65 H new ATOM 0 HD3 ARG A 114 -10.943 3.436 7.361 1.00 0.65 H new ATOM 0 HE ARG A 114 -10.001 5.054 8.848 1.00 1.24 H new ATOM 0 HH11 ARG A 114 -10.011 6.096 5.461 1.00 2.55 H new ATOM 0 HH12 ARG A 114 -9.682 7.785 5.862 1.00 2.55 H new ATOM 0 HH21 ARG A 114 -9.552 7.231 9.334 1.00 2.83 H new ATOM 0 HH22 ARG A 114 -9.424 8.420 8.034 1.00 2.83 H new ATOM 1667 N GLU A 115 -5.864 6.353 7.386 1.00 0.42 N ATOM 1668 CA GLU A 115 -5.130 7.598 7.240 1.00 0.48 C ATOM 1669 C GLU A 115 -3.682 7.446 7.684 1.00 0.37 C ATOM 1670 O GLU A 115 -2.791 8.098 7.137 1.00 0.40 O ATOM 1671 CB GLU A 115 -5.829 8.710 8.007 1.00 0.64 C ATOM 1672 CG GLU A 115 -7.034 9.254 7.261 1.00 1.24 C ATOM 1673 CD GLU A 115 -7.767 10.330 8.026 1.00 1.38 C ATOM 1674 OE1 GLU A 115 -7.213 11.430 8.190 1.00 1.49 O ATOM 1675 OE2 GLU A 115 -8.911 10.077 8.453 1.00 1.59 O ATOM 0 H GLU A 115 -6.571 6.362 8.122 1.00 0.42 H new ATOM 0 HA GLU A 115 -5.114 7.864 6.183 1.00 0.48 H new ATOM 0 HB2 GLU A 115 -6.146 8.334 8.980 1.00 0.64 H new ATOM 0 HB3 GLU A 115 -5.123 9.520 8.193 1.00 0.64 H new ATOM 0 HG2 GLU A 115 -6.709 9.656 6.301 1.00 1.24 H new ATOM 0 HG3 GLU A 115 -7.722 8.436 7.047 1.00 1.24 H new ATOM 1682 N SER A 116 -3.455 6.592 8.670 1.00 0.33 N ATOM 1683 CA SER A 116 -2.100 6.203 9.039 1.00 0.36 C ATOM 1684 C SER A 116 -1.403 5.581 7.833 1.00 0.31 C ATOM 1685 O SER A 116 -0.245 5.874 7.546 1.00 0.38 O ATOM 1686 CB SER A 116 -2.130 5.210 10.203 1.00 0.45 C ATOM 1687 OG SER A 116 -2.930 5.703 11.266 1.00 1.15 O ATOM 0 H SER A 116 -4.188 6.155 9.229 1.00 0.33 H new ATOM 0 HA SER A 116 -1.548 7.088 9.356 1.00 0.36 H new ATOM 0 HB2 SER A 116 -2.523 4.253 9.860 1.00 0.45 H new ATOM 0 HB3 SER A 116 -1.116 5.029 10.559 1.00 0.45 H new ATOM 0 HG SER A 116 -3.877 5.621 11.028 1.00 1.15 H new ATOM 1693 N TRP A 117 -2.141 4.744 7.111 1.00 0.25 N ATOM 1694 CA TRP A 117 -1.632 4.103 5.905 1.00 0.24 C ATOM 1695 C TRP A 117 -1.387 5.156 4.827 1.00 0.21 C ATOM 1696 O TRP A 117 -0.355 5.150 4.157 1.00 0.23 O ATOM 1697 CB TRP A 117 -2.647 3.070 5.408 1.00 0.26 C ATOM 1698 CG TRP A 117 -2.038 1.918 4.671 1.00 0.23 C ATOM 1699 CD1 TRP A 117 -1.745 0.695 5.190 1.00 0.23 C ATOM 1700 CD2 TRP A 117 -1.652 1.871 3.291 1.00 0.22 C ATOM 1701 NE1 TRP A 117 -1.204 -0.110 4.224 1.00 0.21 N ATOM 1702 CE2 TRP A 117 -1.134 0.586 3.052 1.00 0.21 C ATOM 1703 CE3 TRP A 117 -1.693 2.785 2.235 1.00 0.25 C ATOM 1704 CZ2 TRP A 117 -0.660 0.191 1.806 1.00 0.22 C ATOM 1705 CZ3 TRP A 117 -1.221 2.392 0.997 1.00 0.26 C ATOM 1706 CH2 TRP A 117 -0.711 1.104 0.792 1.00 0.24 C ATOM 0 H TRP A 117 -3.102 4.493 7.344 1.00 0.25 H new ATOM 0 HA TRP A 117 -0.691 3.601 6.130 1.00 0.24 H new ATOM 0 HB2 TRP A 117 -3.206 2.686 6.262 1.00 0.26 H new ATOM 0 HB3 TRP A 117 -3.364 3.567 4.755 1.00 0.26 H new ATOM 0 HD1 TRP A 117 -1.915 0.402 6.215 1.00 0.23 H new ATOM 0 HE1 TRP A 117 -0.902 -1.075 4.358 1.00 0.21 H new ATOM 0 HE3 TRP A 117 -2.086 3.780 2.383 1.00 0.25 H new ATOM 0 HZ2 TRP A 117 -0.266 -0.802 1.646 1.00 0.22 H new ATOM 0 HZ3 TRP A 117 -1.246 3.090 0.173 1.00 0.26 H new ATOM 0 HH2 TRP A 117 -0.351 0.827 -0.188 1.00 0.24 H new ATOM 1717 N GLN A 118 -2.348 6.070 4.696 1.00 0.20 N ATOM 1718 CA GLN A 118 -2.293 7.151 3.716 1.00 0.19 C ATOM 1719 C GLN A 118 -0.996 7.947 3.826 1.00 0.18 C ATOM 1720 O GLN A 118 -0.323 8.174 2.831 1.00 0.21 O ATOM 1721 CB GLN A 118 -3.506 8.078 3.895 1.00 0.19 C ATOM 1722 CG GLN A 118 -3.458 9.361 3.070 1.00 0.17 C ATOM 1723 CD GLN A 118 -3.412 9.126 1.570 1.00 0.33 C ATOM 1724 OE1 GLN A 118 -2.831 9.919 0.833 1.00 0.74 O ATOM 1725 NE2 GLN A 118 -4.032 8.053 1.102 1.00 0.19 N ATOM 0 H GLN A 118 -3.191 6.080 5.271 1.00 0.20 H new ATOM 0 HA GLN A 118 -2.320 6.706 2.721 1.00 0.19 H new ATOM 0 HB2 GLN A 118 -4.409 7.527 3.632 1.00 0.19 H new ATOM 0 HB3 GLN A 118 -3.591 8.343 4.949 1.00 0.19 H new ATOM 0 HG2 GLN A 118 -4.333 9.967 3.306 1.00 0.17 H new ATOM 0 HG3 GLN A 118 -2.582 9.938 3.365 1.00 0.17 H new ATOM 0 HE21 GLN A 118 -4.504 7.416 1.744 1.00 0.19 H new ATOM 0 HE22 GLN A 118 -4.037 7.864 0.100 1.00 0.19 H new ATOM 1734 N GLU A 119 -0.648 8.378 5.028 1.00 0.19 N ATOM 1735 CA GLU A 119 0.558 9.171 5.218 1.00 0.22 C ATOM 1736 C GLU A 119 1.818 8.308 5.137 1.00 0.20 C ATOM 1737 O GLU A 119 2.861 8.761 4.667 1.00 0.26 O ATOM 1738 CB GLU A 119 0.502 9.913 6.550 1.00 0.27 C ATOM 1739 CG GLU A 119 0.388 9.000 7.755 1.00 0.27 C ATOM 1740 CD GLU A 119 0.415 9.756 9.066 1.00 0.39 C ATOM 1741 OE1 GLU A 119 -0.616 10.366 9.423 1.00 0.47 O ATOM 1742 OE2 GLU A 119 1.459 9.732 9.755 1.00 0.47 O ATOM 0 H GLU A 119 -1.177 8.195 5.880 1.00 0.19 H new ATOM 0 HA GLU A 119 0.606 9.901 4.410 1.00 0.22 H new ATOM 0 HB2 GLU A 119 1.399 10.524 6.653 1.00 0.27 H new ATOM 0 HB3 GLU A 119 -0.349 10.594 6.540 1.00 0.27 H new ATOM 0 HG2 GLU A 119 -0.539 8.431 7.688 1.00 0.27 H new ATOM 0 HG3 GLU A 119 1.206 8.280 7.739 1.00 0.27 H new ATOM 1749 N GLN A 120 1.712 7.061 5.580 1.00 0.17 N ATOM 1750 CA GLN A 120 2.858 6.165 5.617 1.00 0.18 C ATOM 1751 C GLN A 120 3.307 5.772 4.221 1.00 0.17 C ATOM 1752 O GLN A 120 4.506 5.719 3.938 1.00 0.18 O ATOM 1753 CB GLN A 120 2.531 4.919 6.433 1.00 0.19 C ATOM 1754 CG GLN A 120 2.777 5.099 7.920 1.00 0.23 C ATOM 1755 CD GLN A 120 4.243 5.307 8.236 1.00 0.27 C ATOM 1756 OE1 GLN A 120 5.110 4.764 7.397 1.00 0.32 O flip ATOM 1757 NE2 GLN A 120 4.597 5.967 9.210 1.00 0.25 N flip ATOM 0 H GLN A 120 0.843 6.648 5.919 1.00 0.17 H new ATOM 0 HA GLN A 120 3.679 6.700 6.094 1.00 0.18 H new ATOM 0 HB2 GLN A 120 1.486 4.651 6.273 1.00 0.19 H new ATOM 0 HB3 GLN A 120 3.133 4.086 6.070 1.00 0.19 H new ATOM 0 HG2 GLN A 120 2.205 5.954 8.280 1.00 0.23 H new ATOM 0 HG3 GLN A 120 2.412 4.222 8.456 1.00 0.23 H new ATOM 0 HE21 GLN A 120 3.898 6.370 9.834 1.00 0.25 H new ATOM 0 HE22 GLN A 120 5.590 6.112 9.394 1.00 0.25 H new ATOM 1766 N ILE A 121 2.345 5.497 3.354 1.00 0.17 N ATOM 1767 CA ILE A 121 2.648 5.140 1.980 1.00 0.18 C ATOM 1768 C ILE A 121 3.330 6.305 1.272 1.00 0.21 C ATOM 1769 O ILE A 121 4.249 6.103 0.487 1.00 0.21 O ATOM 1770 CB ILE A 121 1.379 4.720 1.204 1.00 0.19 C ATOM 1771 CG1 ILE A 121 1.739 4.198 -0.189 1.00 0.19 C ATOM 1772 CG2 ILE A 121 0.400 5.880 1.098 1.00 0.22 C ATOM 1773 CD1 ILE A 121 2.626 2.972 -0.174 1.00 0.19 C ATOM 0 H ILE A 121 1.350 5.515 3.578 1.00 0.17 H new ATOM 0 HA ILE A 121 3.323 4.284 2.003 1.00 0.18 H new ATOM 0 HB ILE A 121 0.899 3.914 1.759 1.00 0.19 H new ATOM 0 HG12 ILE A 121 0.820 3.963 -0.727 1.00 0.19 H new ATOM 0 HG13 ILE A 121 2.240 4.990 -0.745 1.00 0.19 H new ATOM 0 HG21 ILE A 121 -0.485 5.560 0.548 1.00 0.22 H new ATOM 0 HG22 ILE A 121 0.109 6.203 2.098 1.00 0.22 H new ATOM 0 HG23 ILE A 121 0.874 6.709 0.573 1.00 0.22 H new ATOM 0 HD11 ILE A 121 2.837 2.663 -1.198 1.00 0.19 H new ATOM 0 HD12 ILE A 121 3.561 3.206 0.334 1.00 0.19 H new ATOM 0 HD13 ILE A 121 2.120 2.163 0.352 1.00 0.19 H new ATOM 1785 N GLN A 122 2.903 7.523 1.594 1.00 0.26 N ATOM 1786 CA GLN A 122 3.468 8.721 0.985 1.00 0.33 C ATOM 1787 C GLN A 122 4.954 8.803 1.290 1.00 0.27 C ATOM 1788 O GLN A 122 5.776 9.026 0.401 1.00 0.26 O ATOM 1789 CB GLN A 122 2.785 9.975 1.526 1.00 0.50 C ATOM 1790 CG GLN A 122 1.296 10.049 1.268 1.00 0.75 C ATOM 1791 CD GLN A 122 0.660 11.247 1.944 1.00 0.63 C ATOM 1792 OE1 GLN A 122 1.288 12.292 2.108 1.00 1.00 O ATOM 1793 NE2 GLN A 122 -0.577 11.093 2.373 1.00 0.39 N ATOM 0 H GLN A 122 2.166 7.705 2.275 1.00 0.26 H new ATOM 0 HA GLN A 122 3.309 8.662 -0.092 1.00 0.33 H new ATOM 0 HB2 GLN A 122 2.956 10.030 2.601 1.00 0.50 H new ATOM 0 HB3 GLN A 122 3.260 10.850 1.083 1.00 0.50 H new ATOM 0 HG2 GLN A 122 1.117 10.101 0.194 1.00 0.75 H new ATOM 0 HG3 GLN A 122 0.820 9.136 1.626 1.00 0.75 H new ATOM 0 HE21 GLN A 122 -1.065 10.211 2.218 1.00 0.39 H new ATOM 0 HE22 GLN A 122 -1.047 11.856 2.860 1.00 0.39 H new ATOM 1802 N SER A 123 5.284 8.598 2.559 1.00 0.27 N ATOM 1803 CA SER A 123 6.658 8.642 3.019 1.00 0.26 C ATOM 1804 C SER A 123 7.498 7.584 2.309 1.00 0.20 C ATOM 1805 O SER A 123 8.630 7.845 1.909 1.00 0.23 O ATOM 1806 CB SER A 123 6.693 8.425 4.530 1.00 0.30 C ATOM 1807 OG SER A 123 5.832 9.334 5.195 1.00 1.03 O ATOM 0 H SER A 123 4.605 8.397 3.293 1.00 0.27 H new ATOM 0 HA SER A 123 7.081 9.619 2.785 1.00 0.26 H new ATOM 0 HB2 SER A 123 6.396 7.402 4.761 1.00 0.30 H new ATOM 0 HB3 SER A 123 7.712 8.551 4.895 1.00 0.30 H new ATOM 0 HG SER A 123 4.907 9.018 5.126 1.00 1.03 H new ATOM 1813 N LEU A 124 6.925 6.397 2.146 1.00 0.16 N ATOM 1814 CA LEU A 124 7.595 5.302 1.451 1.00 0.13 C ATOM 1815 C LEU A 124 7.760 5.643 -0.030 1.00 0.14 C ATOM 1816 O LEU A 124 8.838 5.471 -0.602 1.00 0.17 O ATOM 1817 CB LEU A 124 6.786 4.005 1.647 1.00 0.13 C ATOM 1818 CG LEU A 124 7.385 2.708 1.070 1.00 0.15 C ATOM 1819 CD1 LEU A 124 7.061 2.564 -0.403 1.00 0.18 C ATOM 1820 CD2 LEU A 124 8.890 2.659 1.283 1.00 0.18 C ATOM 0 H LEU A 124 5.992 6.167 2.488 1.00 0.16 H new ATOM 0 HA LEU A 124 8.591 5.152 1.867 1.00 0.13 H new ATOM 0 HB2 LEU A 124 6.634 3.860 2.717 1.00 0.13 H new ATOM 0 HB3 LEU A 124 5.802 4.150 1.202 1.00 0.13 H new ATOM 0 HG LEU A 124 6.933 1.873 1.605 1.00 0.15 H new ATOM 0 HD11 LEU A 124 7.497 1.640 -0.783 1.00 0.18 H new ATOM 0 HD12 LEU A 124 5.980 2.537 -0.537 1.00 0.18 H new ATOM 0 HD13 LEU A 124 7.473 3.411 -0.951 1.00 0.18 H new ATOM 0 HD21 LEU A 124 9.287 1.733 0.866 1.00 0.18 H new ATOM 0 HD22 LEU A 124 9.356 3.510 0.785 1.00 0.18 H new ATOM 0 HD23 LEU A 124 9.108 2.699 2.350 1.00 0.18 H new ATOM 1832 N MET A 125 6.690 6.147 -0.632 1.00 0.15 N ATOM 1833 CA MET A 125 6.699 6.517 -2.042 1.00 0.18 C ATOM 1834 C MET A 125 7.767 7.553 -2.331 1.00 0.20 C ATOM 1835 O MET A 125 8.599 7.368 -3.207 1.00 0.24 O ATOM 1836 CB MET A 125 5.344 7.094 -2.442 1.00 0.21 C ATOM 1837 CG MET A 125 4.222 6.076 -2.498 1.00 0.21 C ATOM 1838 SD MET A 125 2.603 6.857 -2.597 1.00 0.26 S ATOM 1839 CE MET A 125 2.906 8.067 -3.876 1.00 0.25 C ATOM 0 H MET A 125 5.799 6.310 -0.162 1.00 0.15 H new ATOM 0 HA MET A 125 6.911 5.615 -2.616 1.00 0.18 H new ATOM 0 HB2 MET A 125 5.073 7.877 -1.734 1.00 0.21 H new ATOM 0 HB3 MET A 125 5.438 7.567 -3.420 1.00 0.21 H new ATOM 0 HG2 MET A 125 4.365 5.427 -3.362 1.00 0.21 H new ATOM 0 HG3 MET A 125 4.264 5.441 -1.613 1.00 0.21 H new ATOM 0 HE1 MET A 125 1.958 8.373 -4.320 1.00 0.25 H new ATOM 0 HE2 MET A 125 3.402 8.936 -3.444 1.00 0.25 H new ATOM 0 HE3 MET A 125 3.543 7.631 -4.646 1.00 0.25 H new ATOM 1849 N LYS A 126 7.762 8.626 -1.562 1.00 0.20 N ATOM 1850 CA LYS A 126 8.679 9.733 -1.791 1.00 0.26 C ATOM 1851 C LYS A 126 10.099 9.362 -1.385 1.00 0.29 C ATOM 1852 O LYS A 126 11.058 10.015 -1.783 1.00 0.41 O ATOM 1853 CB LYS A 126 8.205 10.976 -1.039 1.00 0.31 C ATOM 1854 CG LYS A 126 6.780 11.382 -1.393 1.00 0.32 C ATOM 1855 CD LYS A 126 6.627 11.686 -2.876 1.00 0.46 C ATOM 1856 CE LYS A 126 5.165 11.865 -3.253 1.00 0.60 C ATOM 1857 NZ LYS A 126 4.997 12.213 -4.688 1.00 1.34 N ATOM 0 H LYS A 126 7.132 8.757 -0.770 1.00 0.20 H new ATOM 0 HA LYS A 126 8.688 9.955 -2.858 1.00 0.26 H new ATOM 0 HB2 LYS A 126 8.268 10.790 0.033 1.00 0.31 H new ATOM 0 HB3 LYS A 126 8.878 11.805 -1.259 1.00 0.31 H new ATOM 0 HG2 LYS A 126 6.095 10.581 -1.114 1.00 0.32 H new ATOM 0 HG3 LYS A 126 6.498 12.260 -0.812 1.00 0.32 H new ATOM 0 HD2 LYS A 126 7.182 12.591 -3.124 1.00 0.46 H new ATOM 0 HD3 LYS A 126 7.060 10.876 -3.463 1.00 0.46 H new ATOM 0 HE2 LYS A 126 4.620 10.946 -3.037 1.00 0.60 H new ATOM 0 HE3 LYS A 126 4.725 12.649 -2.636 1.00 0.60 H new ATOM 0 HZ1 LYS A 126 3.985 12.326 -4.902 1.00 1.34 H new ATOM 0 HZ2 LYS A 126 5.495 13.103 -4.890 1.00 1.34 H new ATOM 0 HZ3 LYS A 126 5.393 11.454 -5.278 1.00 1.34 H new ATOM 1871 N PHE A 127 10.225 8.318 -0.584 1.00 0.25 N ATOM 1872 CA PHE A 127 11.526 7.843 -0.146 1.00 0.30 C ATOM 1873 C PHE A 127 12.292 7.194 -1.301 1.00 0.35 C ATOM 1874 O PHE A 127 13.443 7.534 -1.564 1.00 0.43 O ATOM 1875 CB PHE A 127 11.347 6.849 1.000 1.00 0.28 C ATOM 1876 CG PHE A 127 12.635 6.325 1.562 1.00 0.33 C ATOM 1877 CD1 PHE A 127 12.942 4.980 1.471 1.00 0.39 C ATOM 1878 CD2 PHE A 127 13.535 7.177 2.180 1.00 0.41 C ATOM 1879 CE1 PHE A 127 14.125 4.492 1.986 1.00 0.45 C ATOM 1880 CE2 PHE A 127 14.720 6.695 2.698 1.00 0.47 C ATOM 1881 CZ PHE A 127 15.016 5.350 2.601 1.00 0.47 C ATOM 0 H PHE A 127 9.437 7.781 -0.222 1.00 0.25 H new ATOM 0 HA PHE A 127 12.110 8.695 0.203 1.00 0.30 H new ATOM 0 HB2 PHE A 127 10.783 7.330 1.799 1.00 0.28 H new ATOM 0 HB3 PHE A 127 10.748 6.009 0.648 1.00 0.28 H new ATOM 0 HD1 PHE A 127 12.249 4.305 0.992 1.00 0.39 H new ATOM 0 HD2 PHE A 127 13.307 8.230 2.257 1.00 0.41 H new ATOM 0 HE1 PHE A 127 14.355 3.440 1.908 1.00 0.45 H new ATOM 0 HE2 PHE A 127 15.414 7.369 3.178 1.00 0.47 H new ATOM 0 HZ PHE A 127 15.942 4.969 3.005 1.00 0.47 H new ATOM 1891 N MET A 128 11.648 6.263 -1.992 1.00 0.36 N ATOM 1892 CA MET A 128 12.301 5.551 -3.086 1.00 0.46 C ATOM 1893 C MET A 128 12.033 6.223 -4.430 1.00 0.47 C ATOM 1894 O MET A 128 12.829 6.107 -5.362 1.00 0.57 O ATOM 1895 CB MET A 128 11.841 4.094 -3.142 1.00 0.54 C ATOM 1896 CG MET A 128 10.342 3.929 -3.330 1.00 0.53 C ATOM 1897 SD MET A 128 9.900 2.303 -3.963 1.00 1.04 S ATOM 1898 CE MET A 128 10.670 2.344 -5.580 1.00 1.63 C ATOM 0 H MET A 128 10.683 5.984 -1.818 1.00 0.36 H new ATOM 0 HA MET A 128 13.373 5.580 -2.892 1.00 0.46 H new ATOM 0 HB2 MET A 128 12.357 3.591 -3.960 1.00 0.54 H new ATOM 0 HB3 MET A 128 12.139 3.593 -2.221 1.00 0.54 H new ATOM 0 HG2 MET A 128 9.840 4.093 -2.377 1.00 0.53 H new ATOM 0 HG3 MET A 128 9.979 4.693 -4.017 1.00 0.53 H new ATOM 0 HE1 MET A 128 10.119 1.697 -6.262 1.00 1.63 H new ATOM 0 HE2 MET A 128 10.661 3.365 -5.962 1.00 1.63 H new ATOM 0 HE3 MET A 128 11.700 1.995 -5.502 1.00 1.63 H new ATOM 1908 N SER A 129 10.913 6.919 -4.524 1.00 0.46 N ATOM 1909 CA SER A 129 10.516 7.582 -5.758 1.00 0.56 C ATOM 1910 C SER A 129 10.695 9.094 -5.614 1.00 0.62 C ATOM 1911 O SER A 129 9.918 9.889 -6.152 1.00 0.91 O ATOM 1912 CB SER A 129 9.062 7.225 -6.095 1.00 0.75 C ATOM 1913 OG SER A 129 8.707 7.628 -7.407 1.00 1.11 O ATOM 0 H SER A 129 10.256 7.041 -3.754 1.00 0.46 H new ATOM 0 HA SER A 129 11.149 7.241 -6.577 1.00 0.56 H new ATOM 0 HB2 SER A 129 8.920 6.149 -5.995 1.00 0.75 H new ATOM 0 HB3 SER A 129 8.396 7.702 -5.376 1.00 0.75 H new ATOM 0 HG SER A 129 9.374 7.295 -8.043 1.00 1.11 H new ATOM 1919 N MET A 130 11.708 9.478 -4.843 1.00 0.61 N ATOM 1920 CA MET A 130 12.047 10.883 -4.647 1.00 0.70 C ATOM 1921 C MET A 130 12.351 11.558 -5.979 1.00 0.96 C ATOM 1922 O MET A 130 13.127 11.046 -6.788 1.00 1.30 O ATOM 1923 CB MET A 130 13.237 11.022 -3.694 1.00 0.85 C ATOM 1924 CG MET A 130 14.395 10.118 -4.047 1.00 2.09 C ATOM 1925 SD MET A 130 15.713 10.153 -2.818 1.00 3.01 S ATOM 1926 CE MET A 130 16.830 8.931 -3.498 1.00 3.86 C ATOM 0 H MET A 130 12.313 8.829 -4.340 1.00 0.61 H new ATOM 0 HA MET A 130 11.186 11.380 -4.200 1.00 0.70 H new ATOM 0 HB2 MET A 130 13.579 12.057 -3.699 1.00 0.85 H new ATOM 0 HB3 MET A 130 12.908 10.800 -2.679 1.00 0.85 H new ATOM 0 HG2 MET A 130 14.032 9.096 -4.154 1.00 2.09 H new ATOM 0 HG3 MET A 130 14.799 10.415 -5.015 1.00 2.09 H new ATOM 0 HE1 MET A 130 17.701 8.834 -2.850 1.00 3.86 H new ATOM 0 HE2 MET A 130 16.320 7.970 -3.566 1.00 3.86 H new ATOM 0 HE3 MET A 130 17.150 9.244 -4.492 1.00 3.86 H new ATOM 1936 N LYS A 131 11.727 12.703 -6.204 1.00 1.29 N ATOM 1937 CA LYS A 131 11.854 13.412 -7.467 1.00 1.78 C ATOM 1938 C LYS A 131 12.898 14.511 -7.357 1.00 2.07 C ATOM 1939 O LYS A 131 12.614 15.536 -6.709 1.00 2.37 O ATOM 1940 CB LYS A 131 10.503 14.007 -7.873 1.00 2.34 C ATOM 1941 CG LYS A 131 9.371 12.990 -7.900 1.00 2.54 C ATOM 1942 CD LYS A 131 9.626 11.875 -8.907 1.00 3.36 C ATOM 1943 CE LYS A 131 9.631 12.394 -10.335 1.00 3.86 C ATOM 1944 NZ LYS A 131 8.330 13.012 -10.705 1.00 4.40 N ATOM 1945 OXT LYS A 131 14.004 14.344 -7.914 1.00 2.62 O ATOM 0 H LYS A 131 11.123 13.164 -5.523 1.00 1.29 H new ATOM 0 HA LYS A 131 12.174 12.705 -8.232 1.00 1.78 H new ATOM 0 HB2 LYS A 131 10.245 14.807 -7.179 1.00 2.34 H new ATOM 0 HB3 LYS A 131 10.597 14.459 -8.860 1.00 2.34 H new ATOM 0 HG2 LYS A 131 9.247 12.559 -6.906 1.00 2.54 H new ATOM 0 HG3 LYS A 131 8.437 13.494 -8.147 1.00 2.54 H new ATOM 0 HD2 LYS A 131 10.583 11.401 -8.689 1.00 3.36 H new ATOM 0 HD3 LYS A 131 8.859 11.108 -8.802 1.00 3.36 H new ATOM 0 HE2 LYS A 131 10.428 13.128 -10.452 1.00 3.86 H new ATOM 0 HE3 LYS A 131 9.851 11.574 -11.019 1.00 3.86 H new ATOM 0 HZ1 LYS A 131 8.272 13.106 -11.739 1.00 4.40 H new ATOM 0 HZ2 LYS A 131 7.552 12.410 -10.368 1.00 4.40 H new ATOM 0 HZ3 LYS A 131 8.255 13.952 -10.267 1.00 4.40 H new TER 1959 LYS A 131