USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1084 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 58 SER OG : rot 170:sc= -0.26 USER MOD Set 1.2: A 108 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 103 CYS SG : rot 153:sc= 0.465 USER MOD Set 2.2: A 114 SER OG : rot -91:sc= 1.24 USER MOD Set 3.1: A 59 HIS : no HD1:sc= -3.82! C(o=-3.9!,f=-12!) USER MOD Set 3.2: A 67 SER OG : rot -160:sc= -0.298 USER MOD Set 3.3: A 112 TYR OH : rot 180:sc= 0.262 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0173 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.956 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 174:sc= -0.239 (180deg=-0.296) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -123:sc= -0.0302 (180deg=-1.51) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -170:sc= -0.212 USER MOD Single : A 29 ASN : amide:sc= 0.0816 K(o=0.082,f=-4.4!) USER MOD Single : A 30 LYS NZ :NH3+ -146:sc= 0.368 (180deg=-0.0365) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0525 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -54:sc= -0.267 USER MOD Single : A 47 TYR OH : rot 87:sc= -0.593 USER MOD Single : A 56 SER OG : rot 130:sc= -0.999 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.83! C(o=-1.8!,f=-2.9!) USER MOD Single : A 71 SER OG : rot -170:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.75) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -4.57! C(o=-4.6!,f=-5!) USER MOD Single : A 85 CYS SG : rot 66:sc= 0.161 USER MOD Single : A 86 MET CE :methyl -168:sc= -1.21 (180deg=-1.68) USER MOD Single : A 87 GLN : amide:sc= -11.1! C(o=-11!,f=-13!) USER MOD Single : A 91 ASN : amide:sc= -4.75! C(o=-4.8!,f=-8.7!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.013) USER MOD Single : A 100 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.363 K(o=-0.36,f=-2.6!) USER MOD Single : A 109 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.53) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN :FLIP amide:sc= -3.72! C(o=-5.2!,f=-3.7!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 120 TYR OH : rot -32:sc= 0.0333 USER MOD Single : A 123 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.741) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -1.51 K(o=-1.5,f=-5.7!) USER MOD Single : A 132 THR OG1 : rot 103:sc= 0.591 USER MOD Single : A 134 LYS NZ :NH3+ 161:sc= -0.13 (180deg=-0.485) USER MOD Single : A 135 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.0376 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 16:sc= 0.48 USER MOD Single : A 147 SER OG : rot -59:sc=0.000992 USER MOD Single : A 148 SER OG : rot 79:sc= 0.384 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.929 33.572 -8.933 1.00 0.00 N ATOM 2 CA GLY A 1 3.495 33.151 -10.201 1.00 0.00 C ATOM 3 C GLY A 1 3.423 31.650 -10.399 1.00 0.00 C ATOM 4 O GLY A 1 3.508 30.886 -9.438 1.00 0.00 O ATOM 0 H1 GLY A 1 2.040 34.084 -9.103 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.740 32.737 -8.343 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.601 34.197 -8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.965 33.647 -11.014 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.535 33.472 -10.255 1.00 0.00 H new ATOM 8 N SER A 2 3.263 31.226 -11.649 1.00 0.00 N ATOM 9 CA SER A 2 3.173 29.806 -11.969 1.00 0.00 C ATOM 10 C SER A 2 4.461 29.315 -12.623 1.00 0.00 C ATOM 11 O SER A 2 4.751 29.643 -13.774 1.00 0.00 O ATOM 12 CB SER A 2 1.984 29.546 -12.896 1.00 0.00 C ATOM 13 OG SER A 2 2.191 30.134 -14.169 1.00 0.00 O ATOM 0 H SER A 2 3.193 31.846 -12.456 1.00 0.00 H new ATOM 0 HA SER A 2 3.026 29.256 -11.039 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.834 28.472 -13.008 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.075 29.950 -12.449 1.00 0.00 H new ATOM 0 HG SER A 2 3.153 30.228 -14.334 1.00 0.00 H new ATOM 19 N SER A 3 5.231 28.526 -11.880 1.00 0.00 N ATOM 20 CA SER A 3 6.490 27.991 -12.385 1.00 0.00 C ATOM 21 C SER A 3 7.110 27.023 -11.382 1.00 0.00 C ATOM 22 O SER A 3 6.706 26.970 -10.221 1.00 0.00 O ATOM 23 CB SER A 3 7.468 29.129 -12.684 1.00 0.00 C ATOM 24 OG SER A 3 7.921 29.739 -11.488 1.00 0.00 O ATOM 0 H SER A 3 5.005 28.243 -10.926 1.00 0.00 H new ATOM 0 HA SER A 3 6.282 27.448 -13.307 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.320 28.743 -13.244 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.983 29.874 -13.315 1.00 0.00 H new ATOM 0 HG SER A 3 8.546 30.462 -11.706 1.00 0.00 H new ATOM 30 N GLY A 4 8.096 26.258 -11.840 1.00 0.00 N ATOM 31 CA GLY A 4 8.756 25.300 -10.971 1.00 0.00 C ATOM 32 C GLY A 4 7.804 24.252 -10.433 1.00 0.00 C ATOM 33 O GLY A 4 7.475 23.288 -11.125 1.00 0.00 O ATOM 0 H GLY A 4 8.450 26.284 -12.796 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.559 24.809 -11.521 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.218 25.829 -10.137 1.00 0.00 H new ATOM 37 N SER A 5 7.360 24.437 -9.194 1.00 0.00 N ATOM 38 CA SER A 5 6.443 23.496 -8.561 1.00 0.00 C ATOM 39 C SER A 5 5.143 23.389 -9.352 1.00 0.00 C ATOM 40 O SER A 5 4.301 24.285 -9.307 1.00 0.00 O ATOM 41 CB SER A 5 6.145 23.930 -7.125 1.00 0.00 C ATOM 42 OG SER A 5 7.284 23.767 -6.296 1.00 0.00 O ATOM 0 H SER A 5 7.621 25.230 -8.608 1.00 0.00 H new ATOM 0 HA SER A 5 6.920 22.516 -8.545 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.830 24.974 -7.115 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.316 23.343 -6.729 1.00 0.00 H new ATOM 0 HG SER A 5 7.068 24.053 -5.384 1.00 0.00 H new ATOM 48 N SER A 6 4.988 22.286 -10.077 1.00 0.00 N ATOM 49 CA SER A 6 3.792 22.061 -10.881 1.00 0.00 C ATOM 50 C SER A 6 2.827 21.119 -10.169 1.00 0.00 C ATOM 51 O SER A 6 3.221 20.061 -9.679 1.00 0.00 O ATOM 52 CB SER A 6 4.172 21.483 -12.246 1.00 0.00 C ATOM 53 OG SER A 6 4.757 20.200 -12.113 1.00 0.00 O ATOM 0 H SER A 6 5.676 21.534 -10.124 1.00 0.00 H new ATOM 0 HA SER A 6 3.295 23.020 -11.025 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.285 21.418 -12.876 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.870 22.154 -12.747 1.00 0.00 H new ATOM 0 HG SER A 6 4.989 19.853 -13.000 1.00 0.00 H new ATOM 59 N GLY A 7 1.558 21.512 -10.115 1.00 0.00 N ATOM 60 CA GLY A 7 0.555 20.693 -9.460 1.00 0.00 C ATOM 61 C GLY A 7 0.907 20.386 -8.018 1.00 0.00 C ATOM 62 O GLY A 7 2.046 20.580 -7.597 1.00 0.00 O ATOM 0 H GLY A 7 1.207 22.383 -10.513 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.407 21.205 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.439 19.759 -10.009 1.00 0.00 H new ATOM 66 N MET A 8 -0.074 19.908 -7.260 1.00 0.00 N ATOM 67 CA MET A 8 0.139 19.575 -5.857 1.00 0.00 C ATOM 68 C MET A 8 1.510 18.940 -5.650 1.00 0.00 C ATOM 69 O MET A 8 1.924 18.070 -6.417 1.00 0.00 O ATOM 70 CB MET A 8 -0.955 18.625 -5.364 1.00 0.00 C ATOM 71 CG MET A 8 -0.953 17.279 -6.069 1.00 0.00 C ATOM 72 SD MET A 8 -2.076 16.093 -5.304 1.00 0.00 S ATOM 73 CE MET A 8 -1.105 14.591 -5.410 1.00 0.00 C ATOM 0 H MET A 8 -1.024 19.743 -7.594 1.00 0.00 H new ATOM 0 HA MET A 8 0.096 20.499 -5.280 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.831 18.465 -4.293 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.927 19.098 -5.505 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.235 17.419 -7.113 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.058 16.872 -6.064 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.619 13.787 -4.882 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.976 14.314 -6.456 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.128 14.756 -4.956 1.00 0.00 H new ATOM 83 N GLY A 9 2.211 19.381 -4.611 1.00 0.00 N ATOM 84 CA GLY A 9 3.529 18.845 -4.323 1.00 0.00 C ATOM 85 C GLY A 9 3.477 17.411 -3.835 1.00 0.00 C ATOM 86 O GLY A 9 2.424 16.926 -3.421 1.00 0.00 O ATOM 0 H GLY A 9 1.890 20.100 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.144 18.898 -5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.013 19.465 -3.569 1.00 0.00 H new ATOM 90 N ASP A 10 4.617 16.729 -3.885 1.00 0.00 N ATOM 91 CA ASP A 10 4.697 15.341 -3.445 1.00 0.00 C ATOM 92 C ASP A 10 4.968 15.261 -1.945 1.00 0.00 C ATOM 93 O ASP A 10 5.568 16.156 -1.349 1.00 0.00 O ATOM 94 CB ASP A 10 5.794 14.603 -4.213 1.00 0.00 C ATOM 95 CG ASP A 10 5.567 14.628 -5.712 1.00 0.00 C ATOM 96 OD1 ASP A 10 5.147 15.684 -6.230 1.00 0.00 O ATOM 97 OD2 ASP A 10 5.813 13.593 -6.367 1.00 0.00 O ATOM 0 H ASP A 10 5.498 17.115 -4.226 1.00 0.00 H new ATOM 0 HA ASP A 10 3.738 14.865 -3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.759 15.056 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.839 13.569 -3.872 1.00 0.00 H new ATOM 102 N PRO A 11 4.515 14.165 -1.319 1.00 0.00 N ATOM 103 CA PRO A 11 4.696 13.942 0.119 1.00 0.00 C ATOM 104 C PRO A 11 6.151 13.669 0.483 1.00 0.00 C ATOM 105 O PRO A 11 6.788 12.784 -0.086 1.00 0.00 O ATOM 106 CB PRO A 11 3.833 12.708 0.398 1.00 0.00 C ATOM 107 CG PRO A 11 3.764 11.992 -0.907 1.00 0.00 C ATOM 108 CD PRO A 11 3.791 13.057 -1.967 1.00 0.00 C ATOM 0 HA PRO A 11 4.415 14.816 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.277 12.081 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.840 12.990 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.604 11.307 -1.021 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.855 11.395 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.302 12.715 -2.867 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.785 13.354 -2.264 1.00 0.00 H new ATOM 116 N SER A 12 6.670 14.434 1.439 1.00 0.00 N ATOM 117 CA SER A 12 8.052 14.276 1.878 1.00 0.00 C ATOM 118 C SER A 12 8.256 12.924 2.555 1.00 0.00 C ATOM 119 O SER A 12 7.295 12.209 2.842 1.00 0.00 O ATOM 120 CB SER A 12 8.436 15.403 2.838 1.00 0.00 C ATOM 121 OG SER A 12 8.804 16.573 2.130 1.00 0.00 O ATOM 0 H SER A 12 6.155 15.169 1.924 1.00 0.00 H new ATOM 0 HA SER A 12 8.694 14.323 0.999 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.598 15.623 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.264 15.081 3.469 1.00 0.00 H new ATOM 0 HG SER A 12 9.043 17.279 2.766 1.00 0.00 H new ATOM 127 N LYS A 13 9.513 12.580 2.807 1.00 0.00 N ATOM 128 CA LYS A 13 9.846 11.315 3.452 1.00 0.00 C ATOM 129 C LYS A 13 9.074 11.149 4.757 1.00 0.00 C ATOM 130 O LYS A 13 8.330 10.184 4.929 1.00 0.00 O ATOM 131 CB LYS A 13 11.350 11.237 3.724 1.00 0.00 C ATOM 132 CG LYS A 13 11.768 9.988 4.482 1.00 0.00 C ATOM 133 CD LYS A 13 11.551 8.735 3.651 1.00 0.00 C ATOM 134 CE LYS A 13 12.418 7.585 4.141 1.00 0.00 C ATOM 135 NZ LYS A 13 11.776 6.264 3.899 1.00 0.00 N ATOM 0 H LYS A 13 10.320 13.160 2.574 1.00 0.00 H new ATOM 0 HA LYS A 13 9.563 10.507 2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.885 11.271 2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.654 12.116 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.819 10.064 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.198 9.915 5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.501 8.445 3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.780 8.946 2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.383 7.617 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.612 7.705 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.684 5.752 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.833 6.407 3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.362 5.708 3.243 1.00 0.00 H new ATOM 149 N GLN A 14 9.254 12.096 5.671 1.00 0.00 N ATOM 150 CA GLN A 14 8.574 12.054 6.960 1.00 0.00 C ATOM 151 C GLN A 14 7.103 11.691 6.787 1.00 0.00 C ATOM 152 O GLN A 14 6.637 10.679 7.310 1.00 0.00 O ATOM 153 CB GLN A 14 8.697 13.404 7.670 1.00 0.00 C ATOM 154 CG GLN A 14 10.130 13.784 8.008 1.00 0.00 C ATOM 155 CD GLN A 14 10.225 14.671 9.234 1.00 0.00 C ATOM 156 OE1 GLN A 14 10.539 15.858 9.133 1.00 0.00 O ATOM 157 NE2 GLN A 14 9.953 14.100 10.401 1.00 0.00 N ATOM 0 H GLN A 14 9.865 12.902 5.543 1.00 0.00 H new ATOM 0 HA GLN A 14 9.051 11.286 7.569 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.264 14.179 7.038 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.110 13.377 8.588 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.713 12.878 8.174 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.576 14.298 7.157 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.697 13.113 10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.000 14.648 11.260 1.00 0.00 H new ATOM 166 N ASP A 15 6.375 12.523 6.049 1.00 0.00 N ATOM 167 CA ASP A 15 4.957 12.290 5.806 1.00 0.00 C ATOM 168 C ASP A 15 4.701 10.829 5.447 1.00 0.00 C ATOM 169 O ASP A 15 3.851 10.172 6.049 1.00 0.00 O ATOM 170 CB ASP A 15 4.453 13.199 4.685 1.00 0.00 C ATOM 171 CG ASP A 15 4.743 14.663 4.952 1.00 0.00 C ATOM 172 OD1 ASP A 15 4.459 15.128 6.074 1.00 0.00 O ATOM 173 OD2 ASP A 15 5.255 15.343 4.037 1.00 0.00 O ATOM 0 H ASP A 15 6.745 13.365 5.609 1.00 0.00 H new ATOM 0 HA ASP A 15 4.414 12.522 6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.920 12.905 3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.379 13.061 4.564 1.00 0.00 H new ATOM 178 N ILE A 16 5.441 10.328 4.463 1.00 0.00 N ATOM 179 CA ILE A 16 5.294 8.946 4.025 1.00 0.00 C ATOM 180 C ILE A 16 5.365 7.984 5.207 1.00 0.00 C ATOM 181 O ILE A 16 4.453 7.186 5.427 1.00 0.00 O ATOM 182 CB ILE A 16 6.376 8.562 2.999 1.00 0.00 C ATOM 183 CG1 ILE A 16 6.207 9.379 1.717 1.00 0.00 C ATOM 184 CG2 ILE A 16 6.314 7.073 2.696 1.00 0.00 C ATOM 185 CD1 ILE A 16 7.443 9.399 0.845 1.00 0.00 C ATOM 0 H ILE A 16 6.148 10.859 3.954 1.00 0.00 H new ATOM 0 HA ILE A 16 4.314 8.867 3.554 1.00 0.00 H new ATOM 0 HB ILE A 16 7.354 8.786 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.374 8.972 1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.942 10.403 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.085 6.817 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.478 6.508 3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.334 6.825 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.250 9.997 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.274 9.834 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.697 8.381 0.551 1.00 0.00 H new ATOM 197 N LEU A 17 6.452 8.067 5.964 1.00 0.00 N ATOM 198 CA LEU A 17 6.642 7.205 7.126 1.00 0.00 C ATOM 199 C LEU A 17 5.336 7.029 7.893 1.00 0.00 C ATOM 200 O LEU A 17 4.770 5.936 7.936 1.00 0.00 O ATOM 201 CB LEU A 17 7.714 7.788 8.049 1.00 0.00 C ATOM 202 CG LEU A 17 9.124 7.881 7.465 1.00 0.00 C ATOM 203 CD1 LEU A 17 10.052 8.612 8.422 1.00 0.00 C ATOM 204 CD2 LEU A 17 9.665 6.493 7.151 1.00 0.00 C ATOM 0 H LEU A 17 7.216 8.722 5.795 1.00 0.00 H new ATOM 0 HA LEU A 17 6.969 6.227 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.401 8.787 8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.756 7.181 8.953 1.00 0.00 H new ATOM 0 HG LEU A 17 9.074 8.448 6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.051 8.668 7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.675 9.620 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.097 8.073 9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.669 6.579 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.700 5.901 8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.014 6.004 6.426 1.00 0.00 H new ATOM 216 N THR A 18 4.859 8.114 8.498 1.00 0.00 N ATOM 217 CA THR A 18 3.619 8.080 9.262 1.00 0.00 C ATOM 218 C THR A 18 2.593 7.163 8.605 1.00 0.00 C ATOM 219 O THR A 18 2.246 6.114 9.150 1.00 0.00 O ATOM 220 CB THR A 18 3.012 9.488 9.410 1.00 0.00 C ATOM 221 OG1 THR A 18 3.743 10.235 10.389 1.00 0.00 O ATOM 222 CG2 THR A 18 1.549 9.405 9.817 1.00 0.00 C ATOM 0 H THR A 18 5.314 9.027 8.473 1.00 0.00 H new ATOM 0 HA THR A 18 3.867 7.693 10.250 1.00 0.00 H new ATOM 0 HB THR A 18 3.077 9.992 8.446 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.353 11.130 10.476 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.141 10.411 9.916 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.990 8.860 9.056 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.466 8.885 10.771 1.00 0.00 H new ATOM 230 N ILE A 19 2.112 7.564 7.434 1.00 0.00 N ATOM 231 CA ILE A 19 1.126 6.778 6.704 1.00 0.00 C ATOM 232 C ILE A 19 1.397 5.284 6.850 1.00 0.00 C ATOM 233 O ILE A 19 0.470 4.480 6.941 1.00 0.00 O ATOM 234 CB ILE A 19 1.113 7.141 5.207 1.00 0.00 C ATOM 235 CG1 ILE A 19 0.769 8.619 5.022 1.00 0.00 C ATOM 236 CG2 ILE A 19 0.123 6.262 4.457 1.00 0.00 C ATOM 237 CD1 ILE A 19 1.136 9.159 3.657 1.00 0.00 C ATOM 0 H ILE A 19 2.389 8.429 6.970 1.00 0.00 H new ATOM 0 HA ILE A 19 0.153 7.013 7.135 1.00 0.00 H new ATOM 0 HB ILE A 19 2.107 6.965 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.300 8.758 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.285 9.202 5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.125 6.531 3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.410 5.216 4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.877 6.409 4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.863 10.213 3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.209 9.052 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.600 8.601 2.889 1.00 0.00 H new ATOM 249 N PHE A 20 2.675 4.920 6.874 1.00 0.00 N ATOM 250 CA PHE A 20 3.069 3.522 7.012 1.00 0.00 C ATOM 251 C PHE A 20 3.043 3.091 8.476 1.00 0.00 C ATOM 252 O PHE A 20 2.306 2.180 8.853 1.00 0.00 O ATOM 253 CB PHE A 20 4.468 3.305 6.429 1.00 0.00 C ATOM 254 CG PHE A 20 4.478 3.157 4.935 1.00 0.00 C ATOM 255 CD1 PHE A 20 3.617 2.270 4.308 1.00 0.00 C ATOM 256 CD2 PHE A 20 5.349 3.903 4.158 1.00 0.00 C ATOM 257 CE1 PHE A 20 3.625 2.131 2.932 1.00 0.00 C ATOM 258 CE2 PHE A 20 5.361 3.768 2.782 1.00 0.00 C ATOM 259 CZ PHE A 20 4.498 2.881 2.169 1.00 0.00 C ATOM 0 H PHE A 20 3.455 5.573 6.800 1.00 0.00 H new ATOM 0 HA PHE A 20 2.354 2.912 6.460 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.103 4.146 6.707 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.906 2.413 6.877 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.932 1.681 4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.026 4.598 4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.949 1.437 2.455 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.045 4.356 2.187 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.506 2.774 1.094 1.00 0.00 H new ATOM 269 N LYS A 21 3.853 3.752 9.295 1.00 0.00 N ATOM 270 CA LYS A 21 3.924 3.439 10.718 1.00 0.00 C ATOM 271 C LYS A 21 2.547 3.074 11.264 1.00 0.00 C ATOM 272 O LYS A 21 2.415 2.166 12.085 1.00 0.00 O ATOM 273 CB LYS A 21 4.494 4.628 11.494 1.00 0.00 C ATOM 274 CG LYS A 21 3.430 5.563 12.044 1.00 0.00 C ATOM 275 CD LYS A 21 4.034 6.624 12.948 1.00 0.00 C ATOM 276 CE LYS A 21 2.955 7.435 13.651 1.00 0.00 C ATOM 277 NZ LYS A 21 2.538 6.805 14.935 1.00 0.00 N ATOM 0 H LYS A 21 4.470 4.508 8.998 1.00 0.00 H new ATOM 0 HA LYS A 21 4.584 2.581 10.844 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.100 4.255 12.320 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.159 5.193 10.840 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.904 6.043 11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.691 4.987 12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.676 6.149 13.690 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.666 7.289 12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.325 8.442 13.843 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.089 7.533 12.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.802 7.387 15.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.162 5.853 14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.359 6.735 15.570 1.00 0.00 H new ATOM 291 N ARG A 22 1.525 3.788 10.803 1.00 0.00 N ATOM 292 CA ARG A 22 0.158 3.538 11.245 1.00 0.00 C ATOM 293 C ARG A 22 -0.275 2.117 10.897 1.00 0.00 C ATOM 294 O ARG A 22 -0.880 1.424 11.716 1.00 0.00 O ATOM 295 CB ARG A 22 -0.799 4.547 10.607 1.00 0.00 C ATOM 296 CG ARG A 22 -1.019 5.794 11.447 1.00 0.00 C ATOM 297 CD ARG A 22 -1.826 5.488 12.698 1.00 0.00 C ATOM 298 NE ARG A 22 -3.226 5.206 12.393 1.00 0.00 N ATOM 299 CZ ARG A 22 -3.980 4.372 13.100 1.00 0.00 C ATOM 300 NH1 ARG A 22 -3.471 3.741 14.149 1.00 0.00 N ATOM 301 NH2 ARG A 22 -5.246 4.169 12.759 1.00 0.00 N ATOM 0 H ARG A 22 1.618 4.544 10.124 1.00 0.00 H new ATOM 0 HA ARG A 22 0.126 3.653 12.328 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.408 4.840 9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.760 4.063 10.432 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.056 6.218 11.729 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.538 6.547 10.853 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.388 4.632 13.211 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.768 6.334 13.382 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.648 5.676 11.592 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.498 3.896 14.415 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.052 3.101 14.690 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.641 4.654 11.953 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.824 3.528 13.303 1.00 0.00 H new ATOM 315 N LEU A 23 0.037 1.691 9.679 1.00 0.00 N ATOM 316 CA LEU A 23 -0.320 0.352 9.222 1.00 0.00 C ATOM 317 C LEU A 23 0.616 -0.695 9.817 1.00 0.00 C ATOM 318 O LEU A 23 0.175 -1.748 10.274 1.00 0.00 O ATOM 319 CB LEU A 23 -0.274 0.285 7.694 1.00 0.00 C ATOM 320 CG LEU A 23 -1.222 1.228 6.952 1.00 0.00 C ATOM 321 CD1 LEU A 23 -0.892 1.258 5.468 1.00 0.00 C ATOM 322 CD2 LEU A 23 -2.669 0.810 7.169 1.00 0.00 C ATOM 0 H LEU A 23 0.536 2.253 8.989 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.334 0.138 9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.745 0.499 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.497 -0.737 7.388 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.091 2.233 7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.577 1.934 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.132 1.606 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.994 0.256 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.329 1.492 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.815 -0.204 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.901 0.841 8.234 1.00 0.00 H new ATOM 334 N ARG A 24 1.911 -0.395 9.809 1.00 0.00 N ATOM 335 CA ARG A 24 2.910 -1.310 10.349 1.00 0.00 C ATOM 336 C ARG A 24 2.509 -1.794 11.739 1.00 0.00 C ATOM 337 O ARG A 24 2.527 -2.992 12.019 1.00 0.00 O ATOM 338 CB ARG A 24 4.278 -0.627 10.409 1.00 0.00 C ATOM 339 CG ARG A 24 5.092 -0.782 9.134 1.00 0.00 C ATOM 340 CD ARG A 24 6.280 0.167 9.114 1.00 0.00 C ATOM 341 NE ARG A 24 7.370 -0.302 9.965 1.00 0.00 N ATOM 342 CZ ARG A 24 8.287 0.501 10.495 1.00 0.00 C ATOM 343 NH1 ARG A 24 8.245 1.805 10.261 1.00 0.00 N ATOM 344 NH2 ARG A 24 9.248 -0.002 11.258 1.00 0.00 N ATOM 0 H ARG A 24 2.293 0.474 9.435 1.00 0.00 H new ATOM 0 HA ARG A 24 2.972 -2.174 9.687 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.136 0.434 10.613 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.844 -1.039 11.244 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.444 -1.810 9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.457 -0.590 8.269 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.640 0.275 8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.960 1.155 9.446 1.00 0.00 H new ATOM 0 HE ARG A 24 7.431 -1.301 10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.508 2.194 9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.950 2.419 10.669 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.284 -1.005 11.438 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.952 0.614 11.665 1.00 0.00 H new ATOM 358 N SER A 25 2.149 -0.853 12.606 1.00 0.00 N ATOM 359 CA SER A 25 1.748 -1.182 13.969 1.00 0.00 C ATOM 360 C SER A 25 0.976 -2.498 14.006 1.00 0.00 C ATOM 361 O SER A 25 1.299 -3.399 14.779 1.00 0.00 O ATOM 362 CB SER A 25 0.891 -0.059 14.557 1.00 0.00 C ATOM 363 OG SER A 25 1.054 0.025 15.962 1.00 0.00 O ATOM 0 H SER A 25 2.127 0.143 12.389 1.00 0.00 H new ATOM 0 HA SER A 25 2.651 -1.293 14.570 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.166 0.891 14.098 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.158 -0.235 14.319 1.00 0.00 H new ATOM 0 HG SER A 25 0.497 0.751 16.313 1.00 0.00 H new ATOM 369 N VAL A 26 -0.046 -2.600 13.162 1.00 0.00 N ATOM 370 CA VAL A 26 -0.865 -3.805 13.095 1.00 0.00 C ATOM 371 C VAL A 26 0.004 -5.054 12.993 1.00 0.00 C ATOM 372 O VAL A 26 0.927 -5.135 12.183 1.00 0.00 O ATOM 373 CB VAL A 26 -1.828 -3.763 11.894 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.896 -4.838 12.029 1.00 0.00 C ATOM 375 CG2 VAL A 26 -2.458 -2.385 11.765 1.00 0.00 C ATOM 0 H VAL A 26 -0.327 -1.863 12.515 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.447 -3.845 14.016 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.259 -3.963 10.986 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.568 -4.793 11.172 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.422 -5.819 12.068 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.465 -4.673 12.944 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.136 -2.373 10.911 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.014 -2.153 12.673 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.676 -1.640 11.618 1.00 0.00 H new ATOM 385 N PRO A 27 -0.297 -6.053 13.836 1.00 0.00 N ATOM 386 CA PRO A 27 0.444 -7.319 13.859 1.00 0.00 C ATOM 387 C PRO A 27 0.192 -8.161 12.613 1.00 0.00 C ATOM 388 O PRO A 27 0.676 -9.289 12.505 1.00 0.00 O ATOM 389 CB PRO A 27 -0.102 -8.026 15.103 1.00 0.00 C ATOM 390 CG PRO A 27 -1.464 -7.454 15.297 1.00 0.00 C ATOM 391 CD PRO A 27 -1.384 -6.026 14.828 1.00 0.00 C ATOM 0 HA PRO A 27 1.522 -7.161 13.881 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.143 -9.106 14.959 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.531 -7.844 15.971 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.206 -8.011 14.726 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.763 -7.505 16.344 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.324 -5.695 14.386 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.161 -5.345 15.650 1.00 0.00 H new ATOM 399 N THR A 28 -0.567 -7.607 11.674 1.00 0.00 N ATOM 400 CA THR A 28 -0.883 -8.308 10.435 1.00 0.00 C ATOM 401 C THR A 28 -0.250 -7.616 9.234 1.00 0.00 C ATOM 402 O THR A 28 -0.141 -8.199 8.156 1.00 0.00 O ATOM 403 CB THR A 28 -2.406 -8.401 10.215 1.00 0.00 C ATOM 404 OG1 THR A 28 -2.956 -7.090 10.042 1.00 0.00 O ATOM 405 CG2 THR A 28 -3.082 -9.089 11.392 1.00 0.00 C ATOM 0 H THR A 28 -0.975 -6.675 11.747 1.00 0.00 H new ATOM 0 HA THR A 28 -0.474 -9.314 10.528 1.00 0.00 H new ATOM 0 HB THR A 28 -2.586 -8.992 9.317 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.935 -7.141 10.061 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.156 -9.143 11.214 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.682 -10.097 11.503 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.893 -8.521 12.303 1.00 0.00 H new ATOM 413 N ASN A 29 0.169 -6.369 9.429 1.00 0.00 N ATOM 414 CA ASN A 29 0.794 -5.598 8.360 1.00 0.00 C ATOM 415 C ASN A 29 2.312 -5.598 8.506 1.00 0.00 C ATOM 416 O ASN A 29 3.042 -5.446 7.525 1.00 0.00 O ATOM 417 CB ASN A 29 0.270 -4.161 8.367 1.00 0.00 C ATOM 418 CG ASN A 29 -1.185 -4.075 7.946 1.00 0.00 C ATOM 419 OD1 ASN A 29 -1.756 -5.044 7.446 1.00 0.00 O ATOM 420 ND2 ASN A 29 -1.790 -2.909 8.145 1.00 0.00 N ATOM 0 H ASN A 29 0.087 -5.872 10.316 1.00 0.00 H new ATOM 0 HA ASN A 29 0.538 -6.067 7.410 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.382 -3.741 9.367 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.876 -3.553 7.696 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.768 -2.790 7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.277 -2.133 8.563 1.00 0.00 H new ATOM 427 N LYS A 30 2.783 -5.768 9.736 1.00 0.00 N ATOM 428 CA LYS A 30 4.215 -5.790 10.012 1.00 0.00 C ATOM 429 C LYS A 30 4.828 -7.124 9.600 1.00 0.00 C ATOM 430 O LYS A 30 5.995 -7.397 9.883 1.00 0.00 O ATOM 431 CB LYS A 30 4.472 -5.537 11.499 1.00 0.00 C ATOM 432 CG LYS A 30 3.898 -6.609 12.408 1.00 0.00 C ATOM 433 CD LYS A 30 4.210 -6.329 13.869 1.00 0.00 C ATOM 434 CE LYS A 30 3.639 -4.991 14.314 1.00 0.00 C ATOM 435 NZ LYS A 30 3.482 -4.919 15.793 1.00 0.00 N ATOM 0 H LYS A 30 2.194 -5.893 10.559 1.00 0.00 H new ATOM 0 HA LYS A 30 4.684 -4.998 9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.547 -5.468 11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.044 -4.573 11.774 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.818 -6.664 12.270 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.305 -7.581 12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.799 -7.126 14.489 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.290 -6.333 14.019 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.294 -4.187 13.979 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.671 -4.833 13.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.643 -4.350 16.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.367 -5.879 16.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.326 -4.478 16.211 1.00 0.00 H new ATOM 449 N VAL A 31 4.035 -7.953 8.929 1.00 0.00 N ATOM 450 CA VAL A 31 4.501 -9.258 8.475 1.00 0.00 C ATOM 451 C VAL A 31 4.052 -9.536 7.045 1.00 0.00 C ATOM 452 O VAL A 31 2.857 -9.531 6.746 1.00 0.00 O ATOM 453 CB VAL A 31 3.990 -10.387 9.390 1.00 0.00 C ATOM 454 CG1 VAL A 31 4.628 -10.288 10.767 1.00 0.00 C ATOM 455 CG2 VAL A 31 2.472 -10.342 9.493 1.00 0.00 C ATOM 0 H VAL A 31 3.066 -7.744 8.688 1.00 0.00 H new ATOM 0 HA VAL A 31 5.590 -9.235 8.513 1.00 0.00 H new ATOM 0 HB VAL A 31 4.274 -11.344 8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.255 -11.094 11.400 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.711 -10.372 10.673 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.376 -9.327 11.217 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.127 -11.146 10.143 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.164 -9.383 9.908 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.036 -10.465 8.501 1.00 0.00 H new ATOM 465 N CYS A 32 5.016 -9.779 6.164 1.00 0.00 N ATOM 466 CA CYS A 32 4.721 -10.059 4.764 1.00 0.00 C ATOM 467 C CYS A 32 3.450 -10.892 4.633 1.00 0.00 C ATOM 468 O CYS A 32 3.448 -12.090 4.918 1.00 0.00 O ATOM 469 CB CYS A 32 5.895 -10.792 4.111 1.00 0.00 C ATOM 470 SG CYS A 32 5.503 -11.527 2.490 1.00 0.00 S ATOM 0 H CYS A 32 6.009 -9.788 6.395 1.00 0.00 H new ATOM 0 HA CYS A 32 4.566 -9.109 4.253 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.724 -10.094 3.991 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.236 -11.580 4.782 1.00 0.00 H new ATOM 475 N PHE A 33 2.371 -10.250 4.198 1.00 0.00 N ATOM 476 CA PHE A 33 1.093 -10.931 4.029 1.00 0.00 C ATOM 477 C PHE A 33 1.281 -12.278 3.336 1.00 0.00 C ATOM 478 O PHE A 33 0.523 -13.219 3.569 1.00 0.00 O ATOM 479 CB PHE A 33 0.130 -10.060 3.219 1.00 0.00 C ATOM 480 CG PHE A 33 -0.851 -10.851 2.402 1.00 0.00 C ATOM 481 CD1 PHE A 33 -0.447 -11.494 1.242 1.00 0.00 C ATOM 482 CD2 PHE A 33 -2.177 -10.950 2.790 1.00 0.00 C ATOM 483 CE1 PHE A 33 -1.347 -12.224 0.488 1.00 0.00 C ATOM 484 CE2 PHE A 33 -3.081 -11.678 2.040 1.00 0.00 C ATOM 485 CZ PHE A 33 -2.666 -12.314 0.887 1.00 0.00 C ATOM 0 H PHE A 33 2.356 -9.259 3.956 1.00 0.00 H new ATOM 0 HA PHE A 33 0.670 -11.106 5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.418 -9.409 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.706 -9.415 2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.583 -11.424 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.508 -10.452 3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.019 -12.723 -0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.111 -11.749 2.356 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.372 -12.881 0.298 1.00 0.00 H new ATOM 495 N ASP A 34 2.297 -12.361 2.484 1.00 0.00 N ATOM 496 CA ASP A 34 2.587 -13.592 1.758 1.00 0.00 C ATOM 497 C ASP A 34 2.989 -14.707 2.718 1.00 0.00 C ATOM 498 O ASP A 34 2.226 -15.646 2.950 1.00 0.00 O ATOM 499 CB ASP A 34 3.700 -13.357 0.736 1.00 0.00 C ATOM 500 CG ASP A 34 3.534 -14.208 -0.507 1.00 0.00 C ATOM 501 OD1 ASP A 34 3.296 -15.425 -0.365 1.00 0.00 O ATOM 502 OD2 ASP A 34 3.644 -13.658 -1.623 1.00 0.00 O ATOM 0 H ASP A 34 2.933 -11.591 2.279 1.00 0.00 H new ATOM 0 HA ASP A 34 1.681 -13.897 1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.713 -12.304 0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.664 -13.575 1.196 1.00 0.00 H new ATOM 507 N CYS A 35 4.192 -14.599 3.273 1.00 0.00 N ATOM 508 CA CYS A 35 4.697 -15.598 4.206 1.00 0.00 C ATOM 509 C CYS A 35 4.504 -15.141 5.649 1.00 0.00 C ATOM 510 O CYS A 35 4.000 -15.889 6.486 1.00 0.00 O ATOM 511 CB CYS A 35 6.179 -15.872 3.941 1.00 0.00 C ATOM 512 SG CYS A 35 7.238 -14.394 4.044 1.00 0.00 S ATOM 0 H CYS A 35 4.835 -13.828 3.092 1.00 0.00 H new ATOM 0 HA CYS A 35 4.132 -16.518 4.055 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.535 -16.611 4.658 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.284 -16.313 2.950 1.00 0.00 H new ATOM 517 N GLY A 36 4.909 -13.907 5.933 1.00 0.00 N ATOM 518 CA GLY A 36 4.772 -13.371 7.274 1.00 0.00 C ATOM 519 C GLY A 36 6.071 -12.797 7.804 1.00 0.00 C ATOM 520 O GLY A 36 6.192 -12.516 8.997 1.00 0.00 O ATOM 0 H GLY A 36 5.330 -13.269 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.008 -12.594 7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.427 -14.159 7.943 1.00 0.00 H new ATOM 524 N ALA A 37 7.046 -12.625 6.918 1.00 0.00 N ATOM 525 CA ALA A 37 8.342 -12.080 7.303 1.00 0.00 C ATOM 526 C ALA A 37 8.184 -10.743 8.020 1.00 0.00 C ATOM 527 O ALA A 37 7.706 -9.768 7.439 1.00 0.00 O ATOM 528 CB ALA A 37 9.233 -11.924 6.080 1.00 0.00 C ATOM 0 H ALA A 37 6.963 -12.855 5.928 1.00 0.00 H new ATOM 0 HA ALA A 37 8.812 -12.779 7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.198 -11.516 6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.381 -12.897 5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.760 -11.247 5.369 1.00 0.00 H new ATOM 534 N LYS A 38 8.588 -10.704 9.285 1.00 0.00 N ATOM 535 CA LYS A 38 8.494 -9.486 10.082 1.00 0.00 C ATOM 536 C LYS A 38 9.299 -8.357 9.447 1.00 0.00 C ATOM 537 O LYS A 38 10.372 -8.584 8.889 1.00 0.00 O ATOM 538 CB LYS A 38 8.991 -9.744 11.505 1.00 0.00 C ATOM 539 CG LYS A 38 8.136 -10.733 12.279 1.00 0.00 C ATOM 540 CD LYS A 38 8.345 -10.599 13.778 1.00 0.00 C ATOM 541 CE LYS A 38 7.502 -11.600 14.552 1.00 0.00 C ATOM 542 NZ LYS A 38 6.088 -11.151 14.682 1.00 0.00 N ATOM 0 H LYS A 38 8.984 -11.502 9.781 1.00 0.00 H new ATOM 0 HA LYS A 38 7.447 -9.185 10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.014 -10.118 11.461 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.020 -8.799 12.048 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.085 -10.570 12.042 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.380 -11.748 11.966 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.398 -10.750 14.014 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.090 -9.587 14.093 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.531 -12.566 14.048 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.930 -11.745 15.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.546 -11.860 15.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.057 -10.241 15.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.672 -11.037 13.736 1.00 0.00 H new ATOM 556 N ASN A 39 8.774 -7.139 9.538 1.00 0.00 N ATOM 557 CA ASN A 39 9.445 -5.974 8.973 1.00 0.00 C ATOM 558 C ASN A 39 9.567 -6.097 7.457 1.00 0.00 C ATOM 559 O ASN A 39 10.645 -5.955 6.882 1.00 0.00 O ATOM 560 CB ASN A 39 10.835 -5.808 9.595 1.00 0.00 C ATOM 561 CG ASN A 39 10.771 -5.518 11.082 1.00 0.00 C ATOM 562 OD1 ASN A 39 10.068 -4.606 11.519 1.00 0.00 O ATOM 563 ND2 ASN A 39 11.508 -6.294 11.868 1.00 0.00 N ATOM 0 H ASN A 39 7.887 -6.933 9.997 1.00 0.00 H new ATOM 0 HA ASN A 39 8.843 -5.094 9.201 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.415 -6.716 9.429 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.361 -4.997 9.092 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.506 -6.146 12.877 1.00 0.00 H new ATOM 0 HD22 ASN A 39 12.076 -7.038 11.463 1.00 0.00 H new ATOM 570 N PRO A 40 8.433 -6.366 6.794 1.00 0.00 N ATOM 571 CA PRO A 40 8.385 -6.514 5.336 1.00 0.00 C ATOM 572 C PRO A 40 8.608 -5.190 4.613 1.00 0.00 C ATOM 573 O PRO A 40 7.658 -4.548 4.165 1.00 0.00 O ATOM 574 CB PRO A 40 6.967 -7.031 5.078 1.00 0.00 C ATOM 575 CG PRO A 40 6.171 -6.549 6.241 1.00 0.00 C ATOM 576 CD PRO A 40 7.110 -6.548 7.415 1.00 0.00 C ATOM 0 HA PRO A 40 9.168 -7.176 4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.570 -6.645 4.139 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.949 -8.119 5.009 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.776 -5.550 6.056 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.317 -7.200 6.426 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.880 -5.743 8.113 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.054 -7.481 7.975 1.00 0.00 H new ATOM 584 N SER A 41 9.870 -4.788 4.500 1.00 0.00 N ATOM 585 CA SER A 41 10.219 -3.539 3.834 1.00 0.00 C ATOM 586 C SER A 41 9.374 -3.339 2.579 1.00 0.00 C ATOM 587 O SER A 41 8.538 -2.437 2.517 1.00 0.00 O ATOM 588 CB SER A 41 11.705 -3.528 3.469 1.00 0.00 C ATOM 589 OG SER A 41 12.065 -4.703 2.765 1.00 0.00 O ATOM 0 H SER A 41 10.668 -5.310 4.862 1.00 0.00 H new ATOM 0 HA SER A 41 10.016 -2.719 4.523 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.926 -2.652 2.859 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.305 -3.445 4.375 1.00 0.00 H new ATOM 0 HG SER A 41 13.019 -4.671 2.542 1.00 0.00 H new ATOM 595 N TRP A 42 9.599 -4.187 1.581 1.00 0.00 N ATOM 596 CA TRP A 42 8.859 -4.105 0.327 1.00 0.00 C ATOM 597 C TRP A 42 7.360 -4.004 0.586 1.00 0.00 C ATOM 598 O TRP A 42 6.848 -4.560 1.556 1.00 0.00 O ATOM 599 CB TRP A 42 9.157 -5.325 -0.546 1.00 0.00 C ATOM 600 CG TRP A 42 10.607 -5.459 -0.903 1.00 0.00 C ATOM 601 CD1 TRP A 42 11.589 -6.023 -0.140 1.00 0.00 C ATOM 602 CD2 TRP A 42 11.237 -5.019 -2.111 1.00 0.00 C ATOM 603 NE1 TRP A 42 12.792 -5.961 -0.802 1.00 0.00 N ATOM 604 CE2 TRP A 42 12.603 -5.350 -2.013 1.00 0.00 C ATOM 605 CE3 TRP A 42 10.780 -4.379 -3.266 1.00 0.00 C ATOM 606 CZ2 TRP A 42 13.513 -5.062 -3.026 1.00 0.00 C ATOM 607 CZ3 TRP A 42 11.685 -4.093 -4.271 1.00 0.00 C ATOM 608 CH2 TRP A 42 13.038 -4.435 -4.146 1.00 0.00 C ATOM 0 H TRP A 42 10.288 -4.939 1.616 1.00 0.00 H new ATOM 0 HA TRP A 42 9.180 -3.205 -0.197 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.834 -6.225 -0.023 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.569 -5.260 -1.462 1.00 0.00 H new ATOM 0 HD1 TRP A 42 11.442 -6.454 0.839 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.682 -6.313 -0.448 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.739 -4.113 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 14.557 -5.324 -2.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 11.343 -3.598 -5.168 1.00 0.00 H new ATOM 0 HH2 TRP A 42 13.720 -4.199 -4.950 1.00 0.00 H new ATOM 619 N ALA A 43 6.659 -3.289 -0.290 1.00 0.00 N ATOM 620 CA ALA A 43 5.218 -3.118 -0.158 1.00 0.00 C ATOM 621 C ALA A 43 4.561 -2.920 -1.519 1.00 0.00 C ATOM 622 O ALA A 43 4.937 -2.024 -2.275 1.00 0.00 O ATOM 623 CB ALA A 43 4.909 -1.941 0.756 1.00 0.00 C ATOM 0 H ALA A 43 7.067 -2.819 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 43 4.808 -4.026 0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.829 -1.824 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.338 -2.123 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.339 -1.032 0.336 1.00 0.00 H new ATOM 629 N SER A 44 3.580 -3.761 -1.825 1.00 0.00 N ATOM 630 CA SER A 44 2.873 -3.681 -3.098 1.00 0.00 C ATOM 631 C SER A 44 1.668 -2.750 -2.994 1.00 0.00 C ATOM 632 O SER A 44 0.704 -3.044 -2.287 1.00 0.00 O ATOM 633 CB SER A 44 2.420 -5.073 -3.543 1.00 0.00 C ATOM 634 OG SER A 44 1.387 -4.989 -4.510 1.00 0.00 O ATOM 0 H SER A 44 3.256 -4.506 -1.209 1.00 0.00 H new ATOM 0 HA SER A 44 3.560 -3.276 -3.841 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.267 -5.619 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.069 -5.638 -2.679 1.00 0.00 H new ATOM 0 HG SER A 44 1.116 -5.892 -4.779 1.00 0.00 H new ATOM 640 N ILE A 45 1.732 -1.628 -3.702 1.00 0.00 N ATOM 641 CA ILE A 45 0.647 -0.655 -3.691 1.00 0.00 C ATOM 642 C ILE A 45 -0.622 -1.240 -4.302 1.00 0.00 C ATOM 643 O ILE A 45 -1.704 -1.153 -3.719 1.00 0.00 O ATOM 644 CB ILE A 45 1.029 0.625 -4.456 1.00 0.00 C ATOM 645 CG1 ILE A 45 2.339 1.199 -3.910 1.00 0.00 C ATOM 646 CG2 ILE A 45 -0.087 1.653 -4.360 1.00 0.00 C ATOM 647 CD1 ILE A 45 3.154 1.937 -4.949 1.00 0.00 C ATOM 0 H ILE A 45 2.524 -1.370 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 45 0.462 -0.402 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 45 1.174 0.373 -5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.114 1.877 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.939 0.387 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.199 2.552 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.999 1.241 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.262 1.904 -3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.068 2.317 -4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.410 1.257 -5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.572 2.770 -5.343 1.00 0.00 H new ATOM 659 N THR A 46 -0.483 -1.837 -5.483 1.00 0.00 N ATOM 660 CA THR A 46 -1.617 -2.436 -6.174 1.00 0.00 C ATOM 661 C THR A 46 -2.584 -3.082 -5.187 1.00 0.00 C ATOM 662 O THR A 46 -3.736 -2.662 -5.068 1.00 0.00 O ATOM 663 CB THR A 46 -1.157 -3.496 -7.193 1.00 0.00 C ATOM 664 OG1 THR A 46 0.127 -3.146 -7.720 1.00 0.00 O ATOM 665 CG2 THR A 46 -2.160 -3.625 -8.330 1.00 0.00 C ATOM 0 H THR A 46 0.404 -1.918 -5.980 1.00 0.00 H new ATOM 0 HA THR A 46 -2.126 -1.631 -6.703 1.00 0.00 H new ATOM 0 HB THR A 46 -1.088 -4.455 -6.679 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.095 -2.236 -8.082 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.814 -4.379 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.129 -3.922 -7.929 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.257 -2.667 -8.840 1.00 0.00 H new ATOM 673 N TYR A 47 -2.109 -4.102 -4.482 1.00 0.00 N ATOM 674 CA TYR A 47 -2.933 -4.806 -3.508 1.00 0.00 C ATOM 675 C TYR A 47 -2.785 -4.188 -2.121 1.00 0.00 C ATOM 676 O TYR A 47 -3.329 -4.695 -1.141 1.00 0.00 O ATOM 677 CB TYR A 47 -2.551 -6.288 -3.460 1.00 0.00 C ATOM 678 CG TYR A 47 -2.918 -7.047 -4.716 1.00 0.00 C ATOM 679 CD1 TYR A 47 -2.137 -6.952 -5.862 1.00 0.00 C ATOM 680 CD2 TYR A 47 -4.045 -7.858 -4.756 1.00 0.00 C ATOM 681 CE1 TYR A 47 -2.469 -7.643 -7.010 1.00 0.00 C ATOM 682 CE2 TYR A 47 -4.383 -8.555 -5.901 1.00 0.00 C ATOM 683 CZ TYR A 47 -3.592 -8.444 -7.025 1.00 0.00 C ATOM 684 OH TYR A 47 -3.926 -9.135 -8.167 1.00 0.00 O ATOM 0 H TYR A 47 -1.158 -4.460 -4.567 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.974 -4.715 -3.818 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.477 -6.373 -3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.043 -6.754 -2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.256 -6.327 -5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.668 -7.946 -3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.852 -7.557 -7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.262 -9.183 -5.915 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.461 -9.998 -8.175 1.00 0.00 H new ATOM 694 N GLY A 48 -2.043 -3.087 -2.048 1.00 0.00 N ATOM 695 CA GLY A 48 -1.835 -2.415 -0.778 1.00 0.00 C ATOM 696 C GLY A 48 -1.474 -3.379 0.335 1.00 0.00 C ATOM 697 O GLY A 48 -2.136 -3.417 1.372 1.00 0.00 O ATOM 0 H GLY A 48 -1.582 -2.648 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.041 -1.677 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.740 -1.872 -0.505 1.00 0.00 H new ATOM 701 N VAL A 49 -0.421 -4.160 0.121 1.00 0.00 N ATOM 702 CA VAL A 49 0.027 -5.130 1.114 1.00 0.00 C ATOM 703 C VAL A 49 1.542 -5.088 1.277 1.00 0.00 C ATOM 704 O VAL A 49 2.246 -4.466 0.481 1.00 0.00 O ATOM 705 CB VAL A 49 -0.398 -6.560 0.734 1.00 0.00 C ATOM 706 CG1 VAL A 49 -1.868 -6.784 1.059 1.00 0.00 C ATOM 707 CG2 VAL A 49 -0.123 -6.825 -0.739 1.00 0.00 C ATOM 0 H VAL A 49 0.139 -4.140 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.445 -4.858 2.058 1.00 0.00 H new ATOM 0 HB VAL A 49 0.191 -7.264 1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.151 -7.800 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.031 -6.639 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.477 -6.074 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.430 -7.841 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.685 -6.116 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.943 -6.709 -0.937 1.00 0.00 H new ATOM 717 N PHE A 50 2.039 -5.755 2.314 1.00 0.00 N ATOM 718 CA PHE A 50 3.471 -5.795 2.583 1.00 0.00 C ATOM 719 C PHE A 50 4.074 -7.120 2.126 1.00 0.00 C ATOM 720 O PHE A 50 3.442 -8.172 2.233 1.00 0.00 O ATOM 721 CB PHE A 50 3.738 -5.588 4.075 1.00 0.00 C ATOM 722 CG PHE A 50 3.605 -4.157 4.515 1.00 0.00 C ATOM 723 CD1 PHE A 50 4.645 -3.261 4.328 1.00 0.00 C ATOM 724 CD2 PHE A 50 2.439 -3.709 5.116 1.00 0.00 C ATOM 725 CE1 PHE A 50 4.525 -1.945 4.732 1.00 0.00 C ATOM 726 CE2 PHE A 50 2.313 -2.394 5.521 1.00 0.00 C ATOM 727 CZ PHE A 50 3.359 -1.511 5.331 1.00 0.00 C ATOM 0 H PHE A 50 1.470 -6.275 2.982 1.00 0.00 H new ATOM 0 HA PHE A 50 3.943 -4.989 2.022 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.044 -6.202 4.649 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.743 -5.940 4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.560 -3.595 3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.620 -4.396 5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.343 -1.256 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.398 -2.057 5.985 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.265 -0.484 5.650 1.00 0.00 H new ATOM 737 N LEU A 51 5.299 -7.061 1.617 1.00 0.00 N ATOM 738 CA LEU A 51 5.988 -8.256 1.142 1.00 0.00 C ATOM 739 C LEU A 51 7.466 -8.220 1.522 1.00 0.00 C ATOM 740 O LEU A 51 7.982 -7.188 1.953 1.00 0.00 O ATOM 741 CB LEU A 51 5.844 -8.384 -0.376 1.00 0.00 C ATOM 742 CG LEU A 51 4.415 -8.354 -0.918 1.00 0.00 C ATOM 743 CD1 LEU A 51 4.417 -8.105 -2.419 1.00 0.00 C ATOM 744 CD2 LEU A 51 3.692 -9.653 -0.593 1.00 0.00 C ATOM 0 H LEU A 51 5.836 -6.199 1.522 1.00 0.00 H new ATOM 0 HA LEU A 51 5.529 -9.122 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.406 -7.576 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.310 -9.319 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 51 3.883 -7.535 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.391 -8.087 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.894 -7.148 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.968 -8.902 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.676 -9.613 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.224 -10.489 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.657 -9.789 0.488 1.00 0.00 H new ATOM 756 N CYS A 52 8.142 -9.351 1.355 1.00 0.00 N ATOM 757 CA CYS A 52 9.560 -9.449 1.679 1.00 0.00 C ATOM 758 C CYS A 52 10.395 -9.624 0.414 1.00 0.00 C ATOM 759 O CYS A 52 9.948 -10.234 -0.557 1.00 0.00 O ATOM 760 CB CYS A 52 9.807 -10.619 2.633 1.00 0.00 C ATOM 761 SG CYS A 52 9.404 -12.250 1.929 1.00 0.00 S ATOM 0 H CYS A 52 7.731 -10.213 0.997 1.00 0.00 H new ATOM 0 HA CYS A 52 9.861 -8.522 2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.855 -10.614 2.934 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.215 -10.469 3.536 1.00 0.00 H new ATOM 766 N ILE A 53 11.611 -9.087 0.434 1.00 0.00 N ATOM 767 CA ILE A 53 12.509 -9.186 -0.709 1.00 0.00 C ATOM 768 C ILE A 53 12.334 -10.518 -1.431 1.00 0.00 C ATOM 769 O ILE A 53 12.414 -10.585 -2.659 1.00 0.00 O ATOM 770 CB ILE A 53 13.981 -9.034 -0.285 1.00 0.00 C ATOM 771 CG1 ILE A 53 14.904 -9.200 -1.493 1.00 0.00 C ATOM 772 CG2 ILE A 53 14.327 -10.047 0.797 1.00 0.00 C ATOM 773 CD1 ILE A 53 15.149 -7.912 -2.248 1.00 0.00 C ATOM 0 H ILE A 53 11.996 -8.579 1.230 1.00 0.00 H new ATOM 0 HA ILE A 53 12.249 -8.371 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 53 14.125 -8.033 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.860 -9.602 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.471 -9.933 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.371 -9.928 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.688 -9.884 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.170 -11.056 0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.812 -8.105 -3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.201 -7.519 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 53 15.611 -7.183 -1.583 1.00 0.00 H new ATOM 785 N ASP A 54 12.094 -11.573 -0.663 1.00 0.00 N ATOM 786 CA ASP A 54 11.906 -12.905 -1.229 1.00 0.00 C ATOM 787 C ASP A 54 10.630 -12.964 -2.062 1.00 0.00 C ATOM 788 O ASP A 54 10.667 -13.285 -3.251 1.00 0.00 O ATOM 789 CB ASP A 54 11.853 -13.953 -0.117 1.00 0.00 C ATOM 790 CG ASP A 54 13.200 -14.158 0.550 1.00 0.00 C ATOM 791 OD1 ASP A 54 13.640 -13.252 1.288 1.00 0.00 O ATOM 792 OD2 ASP A 54 13.812 -15.225 0.334 1.00 0.00 O ATOM 0 H ASP A 54 12.025 -11.533 0.354 1.00 0.00 H new ATOM 0 HA ASP A 54 12.754 -13.120 -1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.123 -13.647 0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.508 -14.900 -0.531 1.00 0.00 H new ATOM 797 N CYS A 55 9.502 -12.656 -1.431 1.00 0.00 N ATOM 798 CA CYS A 55 8.213 -12.675 -2.113 1.00 0.00 C ATOM 799 C CYS A 55 8.122 -11.547 -3.135 1.00 0.00 C ATOM 800 O CYS A 55 7.837 -11.781 -4.311 1.00 0.00 O ATOM 801 CB CYS A 55 7.075 -12.553 -1.098 1.00 0.00 C ATOM 802 SG CYS A 55 6.965 -13.949 0.068 1.00 0.00 S ATOM 0 H CYS A 55 9.454 -12.390 -0.447 1.00 0.00 H new ATOM 0 HA CYS A 55 8.121 -13.625 -2.639 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.205 -11.630 -0.532 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.131 -12.467 -1.636 1.00 0.00 H new ATOM 807 N SER A 56 8.364 -10.322 -2.680 1.00 0.00 N ATOM 808 CA SER A 56 8.305 -9.155 -3.554 1.00 0.00 C ATOM 809 C SER A 56 8.760 -9.512 -4.966 1.00 0.00 C ATOM 810 O SER A 56 8.234 -8.993 -5.949 1.00 0.00 O ATOM 811 CB SER A 56 9.176 -8.028 -2.994 1.00 0.00 C ATOM 812 OG SER A 56 10.509 -8.465 -2.794 1.00 0.00 O ATOM 0 H SER A 56 8.603 -10.111 -1.711 1.00 0.00 H new ATOM 0 HA SER A 56 7.270 -8.816 -3.599 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.167 -7.182 -3.681 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.759 -7.677 -2.050 1.00 0.00 H new ATOM 0 HG SER A 56 11.128 -7.827 -3.207 1.00 0.00 H new ATOM 818 N GLY A 57 9.744 -10.402 -5.058 1.00 0.00 N ATOM 819 CA GLY A 57 10.255 -10.812 -6.352 1.00 0.00 C ATOM 820 C GLY A 57 9.177 -11.401 -7.240 1.00 0.00 C ATOM 821 O GLY A 57 9.046 -11.021 -8.404 1.00 0.00 O ATOM 0 H GLY A 57 10.196 -10.846 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.703 -9.953 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.047 -11.547 -6.210 1.00 0.00 H new ATOM 825 N SER A 58 8.404 -12.333 -6.692 1.00 0.00 N ATOM 826 CA SER A 58 7.335 -12.980 -7.444 1.00 0.00 C ATOM 827 C SER A 58 6.448 -11.944 -8.127 1.00 0.00 C ATOM 828 O SER A 58 6.034 -12.123 -9.273 1.00 0.00 O ATOM 829 CB SER A 58 6.493 -13.859 -6.519 1.00 0.00 C ATOM 830 OG SER A 58 5.957 -14.969 -7.219 1.00 0.00 O ATOM 0 H SER A 58 8.498 -12.657 -5.729 1.00 0.00 H new ATOM 0 HA SER A 58 7.791 -13.605 -8.212 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.106 -14.210 -5.689 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.683 -13.270 -6.090 1.00 0.00 H new ATOM 0 HG SER A 58 5.561 -15.598 -6.581 1.00 0.00 H new ATOM 836 N HIS A 59 6.159 -10.859 -7.415 1.00 0.00 N ATOM 837 CA HIS A 59 5.322 -9.793 -7.952 1.00 0.00 C ATOM 838 C HIS A 59 6.046 -9.040 -9.064 1.00 0.00 C ATOM 839 O HIS A 59 5.465 -8.742 -10.107 1.00 0.00 O ATOM 840 CB HIS A 59 4.920 -8.822 -6.841 1.00 0.00 C ATOM 841 CG HIS A 59 3.765 -9.300 -6.017 1.00 0.00 C ATOM 842 ND1 HIS A 59 2.502 -8.752 -6.101 1.00 0.00 N ATOM 843 CD2 HIS A 59 3.684 -10.283 -5.089 1.00 0.00 C ATOM 844 CE1 HIS A 59 1.696 -9.375 -5.261 1.00 0.00 C ATOM 845 NE2 HIS A 59 2.389 -10.309 -4.634 1.00 0.00 N ATOM 0 H HIS A 59 6.492 -10.695 -6.465 1.00 0.00 H new ATOM 0 HA HIS A 59 4.424 -10.247 -8.370 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.777 -8.655 -6.188 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.665 -7.860 -7.285 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.489 -10.927 -4.767 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.649 -9.158 -5.112 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.022 -10.946 -3.927 1.00 0.00 H new ATOM 853 N ARG A 60 7.319 -8.734 -8.833 1.00 0.00 N ATOM 854 CA ARG A 60 8.122 -8.014 -9.813 1.00 0.00 C ATOM 855 C ARG A 60 8.076 -8.710 -11.170 1.00 0.00 C ATOM 856 O ARG A 60 8.039 -8.058 -12.213 1.00 0.00 O ATOM 857 CB ARG A 60 9.571 -7.901 -9.334 1.00 0.00 C ATOM 858 CG ARG A 60 9.759 -6.921 -8.188 1.00 0.00 C ATOM 859 CD ARG A 60 11.186 -6.942 -7.666 1.00 0.00 C ATOM 860 NE ARG A 60 12.137 -6.437 -8.653 1.00 0.00 N ATOM 861 CZ ARG A 60 12.209 -5.164 -9.022 1.00 0.00 C ATOM 862 NH1 ARG A 60 11.388 -4.269 -8.487 1.00 0.00 N ATOM 863 NH2 ARG A 60 13.100 -4.781 -9.926 1.00 0.00 N ATOM 0 H ARG A 60 7.816 -8.974 -7.975 1.00 0.00 H new ATOM 0 HA ARG A 60 7.704 -7.013 -9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.919 -8.885 -9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.198 -7.593 -10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.508 -5.915 -8.523 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.071 -7.168 -7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.250 -6.339 -6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.456 -7.961 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 60 12.782 -7.100 -9.083 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.701 -4.559 -7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.444 -3.291 -8.771 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.733 -5.465 -10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.153 -3.802 -10.207 1.00 0.00 H new ATOM 877 N SER A 61 8.081 -10.039 -11.148 1.00 0.00 N ATOM 878 CA SER A 61 8.045 -10.825 -12.376 1.00 0.00 C ATOM 879 C SER A 61 6.717 -10.636 -13.103 1.00 0.00 C ATOM 880 O SER A 61 6.685 -10.426 -14.316 1.00 0.00 O ATOM 881 CB SER A 61 8.262 -12.307 -12.065 1.00 0.00 C ATOM 882 OG SER A 61 8.569 -13.036 -13.242 1.00 0.00 O ATOM 0 H SER A 61 8.110 -10.594 -10.293 1.00 0.00 H new ATOM 0 HA SER A 61 8.848 -10.476 -13.025 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.073 -12.416 -11.344 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.366 -12.719 -11.601 1.00 0.00 H new ATOM 0 HG SER A 61 8.705 -13.980 -13.016 1.00 0.00 H new ATOM 888 N LEU A 62 5.623 -10.711 -12.353 1.00 0.00 N ATOM 889 CA LEU A 62 4.291 -10.547 -12.924 1.00 0.00 C ATOM 890 C LEU A 62 4.249 -9.359 -13.879 1.00 0.00 C ATOM 891 O LEU A 62 3.882 -9.499 -15.044 1.00 0.00 O ATOM 892 CB LEU A 62 3.257 -10.360 -11.812 1.00 0.00 C ATOM 893 CG LEU A 62 3.084 -11.536 -10.851 1.00 0.00 C ATOM 894 CD1 LEU A 62 2.081 -11.191 -9.760 1.00 0.00 C ATOM 895 CD2 LEU A 62 2.646 -12.782 -11.606 1.00 0.00 C ATOM 0 H LEU A 62 5.632 -10.884 -11.348 1.00 0.00 H new ATOM 0 HA LEU A 62 4.051 -11.449 -13.487 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.533 -9.480 -11.231 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.292 -10.148 -12.273 1.00 0.00 H new ATOM 0 HG LEU A 62 4.046 -11.740 -10.380 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.971 -12.040 -9.085 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.436 -10.326 -9.200 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.117 -10.959 -10.212 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.528 -13.609 -10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.696 -12.590 -12.105 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.400 -13.041 -12.349 1.00 0.00 H new ATOM 907 N GLY A 63 4.632 -8.189 -13.376 1.00 0.00 N ATOM 908 CA GLY A 63 4.633 -6.993 -14.198 1.00 0.00 C ATOM 909 C GLY A 63 4.141 -5.772 -13.447 1.00 0.00 C ATOM 910 O GLY A 63 3.063 -5.794 -12.851 1.00 0.00 O ATOM 0 H GLY A 63 4.941 -8.048 -12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.643 -6.808 -14.563 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.003 -7.156 -15.072 1.00 0.00 H new ATOM 914 N VAL A 64 4.931 -4.704 -13.473 1.00 0.00 N ATOM 915 CA VAL A 64 4.569 -3.468 -12.789 1.00 0.00 C ATOM 916 C VAL A 64 3.091 -3.148 -12.978 1.00 0.00 C ATOM 917 O VAL A 64 2.469 -2.508 -12.129 1.00 0.00 O ATOM 918 CB VAL A 64 5.409 -2.280 -13.294 1.00 0.00 C ATOM 919 CG1 VAL A 64 6.892 -2.544 -13.078 1.00 0.00 C ATOM 920 CG2 VAL A 64 5.116 -2.006 -14.760 1.00 0.00 C ATOM 0 H VAL A 64 5.826 -4.669 -13.960 1.00 0.00 H new ATOM 0 HA VAL A 64 4.772 -3.622 -11.729 1.00 0.00 H new ATOM 0 HB VAL A 64 5.135 -1.394 -12.721 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.470 -1.694 -13.441 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.085 -2.687 -12.015 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.185 -3.441 -13.623 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.718 -1.163 -15.100 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.360 -2.889 -15.351 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.059 -1.769 -14.882 1.00 0.00 H new ATOM 930 N HIS A 65 2.531 -3.597 -14.097 1.00 0.00 N ATOM 931 CA HIS A 65 1.125 -3.360 -14.397 1.00 0.00 C ATOM 932 C HIS A 65 0.227 -4.234 -13.527 1.00 0.00 C ATOM 933 O HIS A 65 -0.796 -3.777 -13.016 1.00 0.00 O ATOM 934 CB HIS A 65 0.844 -3.634 -15.876 1.00 0.00 C ATOM 935 CG HIS A 65 1.297 -4.986 -16.331 1.00 0.00 C ATOM 936 ND1 HIS A 65 2.611 -5.276 -16.637 1.00 0.00 N ATOM 937 CD2 HIS A 65 0.605 -6.131 -16.531 1.00 0.00 C ATOM 938 CE1 HIS A 65 2.706 -6.541 -17.006 1.00 0.00 C ATOM 939 NE2 HIS A 65 1.503 -7.082 -16.950 1.00 0.00 N ATOM 0 H HIS A 65 3.031 -4.127 -14.811 1.00 0.00 H new ATOM 0 HA HIS A 65 0.905 -2.315 -14.179 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.226 -3.538 -16.058 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.339 -2.872 -16.479 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.456 -6.271 -16.388 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.613 -7.046 -17.303 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.277 -8.050 -17.181 1.00 0.00 H new ATOM 947 N LEU A 66 0.617 -5.494 -13.363 1.00 0.00 N ATOM 948 CA LEU A 66 -0.153 -6.433 -12.554 1.00 0.00 C ATOM 949 C LEU A 66 -0.020 -6.109 -11.069 1.00 0.00 C ATOM 950 O LEU A 66 -1.011 -6.074 -10.341 1.00 0.00 O ATOM 951 CB LEU A 66 0.314 -7.866 -12.819 1.00 0.00 C ATOM 952 CG LEU A 66 -0.767 -8.946 -12.754 1.00 0.00 C ATOM 953 CD1 LEU A 66 -0.356 -10.161 -13.571 1.00 0.00 C ATOM 954 CD2 LEU A 66 -1.039 -9.340 -11.309 1.00 0.00 C ATOM 0 H LEU A 66 1.461 -5.888 -13.779 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.202 -6.341 -12.834 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.775 -7.900 -13.806 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.091 -8.114 -12.096 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.686 -8.541 -13.179 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.137 -10.919 -13.513 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.211 -9.868 -14.611 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.575 -10.568 -13.175 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.811 -10.109 -11.281 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.125 -9.726 -10.859 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.377 -8.467 -10.751 1.00 0.00 H new ATOM 966 N SER A 67 1.210 -5.871 -10.629 1.00 0.00 N ATOM 967 CA SER A 67 1.474 -5.552 -9.230 1.00 0.00 C ATOM 968 C SER A 67 2.732 -4.701 -9.095 1.00 0.00 C ATOM 969 O SER A 67 3.850 -5.201 -9.223 1.00 0.00 O ATOM 970 CB SER A 67 1.621 -6.835 -8.410 1.00 0.00 C ATOM 971 OG SER A 67 0.377 -7.238 -7.867 1.00 0.00 O ATOM 0 H SER A 67 2.041 -5.893 -11.220 1.00 0.00 H new ATOM 0 HA SER A 67 0.628 -4.981 -8.848 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.021 -7.629 -9.040 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.338 -6.676 -7.605 1.00 0.00 H new ATOM 0 HG SER A 67 0.530 -7.849 -7.116 1.00 0.00 H new ATOM 977 N PHE A 68 2.542 -3.411 -8.836 1.00 0.00 N ATOM 978 CA PHE A 68 3.661 -2.489 -8.683 1.00 0.00 C ATOM 979 C PHE A 68 4.274 -2.602 -7.291 1.00 0.00 C ATOM 980 O PHE A 68 3.560 -2.624 -6.287 1.00 0.00 O ATOM 981 CB PHE A 68 3.203 -1.051 -8.937 1.00 0.00 C ATOM 982 CG PHE A 68 4.316 -0.132 -9.354 1.00 0.00 C ATOM 983 CD1 PHE A 68 5.098 0.505 -8.405 1.00 0.00 C ATOM 984 CD2 PHE A 68 4.579 0.093 -10.695 1.00 0.00 C ATOM 985 CE1 PHE A 68 6.122 1.352 -8.787 1.00 0.00 C ATOM 986 CE2 PHE A 68 5.602 0.939 -11.083 1.00 0.00 C ATOM 987 CZ PHE A 68 6.375 1.568 -10.127 1.00 0.00 C ATOM 0 H PHE A 68 1.623 -2.981 -8.728 1.00 0.00 H new ATOM 0 HA PHE A 68 4.421 -2.756 -9.417 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.436 -1.054 -9.711 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.740 -0.660 -8.031 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.906 0.338 -7.355 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.978 -0.398 -11.446 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.724 1.844 -8.037 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.796 1.107 -12.132 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.176 2.228 -10.427 1.00 0.00 H new ATOM 997 N ILE A 69 5.599 -2.672 -7.236 1.00 0.00 N ATOM 998 CA ILE A 69 6.308 -2.781 -5.968 1.00 0.00 C ATOM 999 C ILE A 69 7.023 -1.479 -5.623 1.00 0.00 C ATOM 1000 O ILE A 69 7.518 -0.779 -6.506 1.00 0.00 O ATOM 1001 CB ILE A 69 7.336 -3.927 -5.994 1.00 0.00 C ATOM 1002 CG1 ILE A 69 6.818 -5.088 -6.847 1.00 0.00 C ATOM 1003 CG2 ILE A 69 7.640 -4.399 -4.580 1.00 0.00 C ATOM 1004 CD1 ILE A 69 5.585 -5.754 -6.277 1.00 0.00 C ATOM 0 H ILE A 69 6.204 -2.655 -8.057 1.00 0.00 H new ATOM 0 HA ILE A 69 5.559 -2.994 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 69 8.259 -3.556 -6.439 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.592 -4.720 -7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.608 -5.832 -6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.368 -5.209 -4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.047 -3.571 -4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.723 -4.756 -4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.274 -6.567 -6.933 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.811 -6.152 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.780 -5.023 -6.199 1.00 0.00 H new ATOM 1016 N ARG A 70 7.075 -1.163 -4.334 1.00 0.00 N ATOM 1017 CA ARG A 70 7.731 0.054 -3.872 1.00 0.00 C ATOM 1018 C ARG A 70 8.108 -0.057 -2.397 1.00 0.00 C ATOM 1019 O ARG A 70 7.267 -0.362 -1.552 1.00 0.00 O ATOM 1020 CB ARG A 70 6.817 1.263 -4.085 1.00 0.00 C ATOM 1021 CG ARG A 70 6.953 1.893 -5.461 1.00 0.00 C ATOM 1022 CD ARG A 70 6.628 3.379 -5.428 1.00 0.00 C ATOM 1023 NE ARG A 70 7.811 4.191 -5.158 1.00 0.00 N ATOM 1024 CZ ARG A 70 8.638 4.624 -6.103 1.00 0.00 C ATOM 1025 NH1 ARG A 70 8.411 4.325 -7.375 1.00 0.00 N ATOM 1026 NH2 ARG A 70 9.693 5.360 -5.777 1.00 0.00 N ATOM 0 H ARG A 70 6.671 -1.733 -3.591 1.00 0.00 H new ATOM 0 HA ARG A 70 8.643 0.188 -4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.782 0.956 -3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.039 2.014 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.969 1.750 -5.829 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.286 1.389 -6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.194 3.677 -6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.875 3.569 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 70 8.014 4.440 -4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.600 3.761 -7.629 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.048 4.659 -8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.870 5.594 -4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.327 5.692 -6.503 1.00 0.00 H new ATOM 1040 N SER A 71 9.379 0.192 -2.097 1.00 0.00 N ATOM 1041 CA SER A 71 9.870 0.115 -0.727 1.00 0.00 C ATOM 1042 C SER A 71 9.292 1.244 0.122 1.00 0.00 C ATOM 1043 O SER A 71 8.605 2.130 -0.387 1.00 0.00 O ATOM 1044 CB SER A 71 11.398 0.178 -0.705 1.00 0.00 C ATOM 1045 OG SER A 71 11.927 -0.619 0.342 1.00 0.00 O ATOM 0 H SER A 71 10.087 0.449 -2.785 1.00 0.00 H new ATOM 0 HA SER A 71 9.546 -0.837 -0.305 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.793 -0.164 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.721 1.211 -0.578 1.00 0.00 H new ATOM 0 HG SER A 71 12.886 -0.441 0.436 1.00 0.00 H new ATOM 1051 N THR A 72 9.574 1.204 1.421 1.00 0.00 N ATOM 1052 CA THR A 72 9.083 2.221 2.341 1.00 0.00 C ATOM 1053 C THR A 72 10.233 3.014 2.950 1.00 0.00 C ATOM 1054 O THR A 72 10.140 4.229 3.116 1.00 0.00 O ATOM 1055 CB THR A 72 8.247 1.596 3.474 1.00 0.00 C ATOM 1056 OG1 THR A 72 9.048 0.673 4.221 1.00 0.00 O ATOM 1057 CG2 THR A 72 7.026 0.882 2.916 1.00 0.00 C ATOM 0 H THR A 72 10.140 0.477 1.859 1.00 0.00 H new ATOM 0 HA THR A 72 8.451 2.893 1.761 1.00 0.00 H new ATOM 0 HB THR A 72 7.909 2.397 4.131 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.510 0.281 4.940 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.452 0.449 3.735 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.404 1.594 2.374 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.346 0.090 2.239 1.00 0.00 H new ATOM 1065 N GLU A 73 11.316 2.318 3.281 1.00 0.00 N ATOM 1066 CA GLU A 73 12.484 2.959 3.873 1.00 0.00 C ATOM 1067 C GLU A 73 13.335 3.635 2.800 1.00 0.00 C ATOM 1068 O GLU A 73 13.839 4.742 2.999 1.00 0.00 O ATOM 1069 CB GLU A 73 13.326 1.932 4.634 1.00 0.00 C ATOM 1070 CG GLU A 73 12.565 1.221 5.740 1.00 0.00 C ATOM 1071 CD GLU A 73 12.610 1.973 7.056 1.00 0.00 C ATOM 1072 OE1 GLU A 73 11.726 2.824 7.283 1.00 0.00 O ATOM 1073 OE2 GLU A 73 13.530 1.709 7.858 1.00 0.00 O ATOM 0 H GLU A 73 11.409 1.311 3.149 1.00 0.00 H new ATOM 0 HA GLU A 73 12.135 3.721 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.704 1.191 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 73 14.193 2.433 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.526 1.091 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.983 0.224 5.881 1.00 0.00 H new ATOM 1080 N LEU A 74 13.489 2.963 1.665 1.00 0.00 N ATOM 1081 CA LEU A 74 14.278 3.499 0.561 1.00 0.00 C ATOM 1082 C LEU A 74 13.454 4.470 -0.278 1.00 0.00 C ATOM 1083 O LEU A 74 13.732 5.669 -0.310 1.00 0.00 O ATOM 1084 CB LEU A 74 14.797 2.360 -0.320 1.00 0.00 C ATOM 1085 CG LEU A 74 15.643 1.299 0.384 1.00 0.00 C ATOM 1086 CD1 LEU A 74 15.763 0.053 -0.480 1.00 0.00 C ATOM 1087 CD2 LEU A 74 17.019 1.851 0.723 1.00 0.00 C ATOM 0 H LEU A 74 13.079 2.047 1.485 1.00 0.00 H new ATOM 0 HA LEU A 74 15.125 4.041 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 74 13.942 1.866 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.390 2.792 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 74 15.146 1.024 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 74 16.369 -0.691 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.770 -0.355 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.236 0.311 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 74 17.607 1.081 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 74 17.525 2.155 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 74 16.913 2.713 1.382 1.00 0.00 H new ATOM 1099 N ASP A 75 12.436 3.945 -0.952 1.00 0.00 N ATOM 1100 CA ASP A 75 11.569 4.767 -1.788 1.00 0.00 C ATOM 1101 C ASP A 75 10.935 5.890 -0.973 1.00 0.00 C ATOM 1102 O ASP A 75 10.319 5.648 0.065 1.00 0.00 O ATOM 1103 CB ASP A 75 10.478 3.906 -2.427 1.00 0.00 C ATOM 1104 CG ASP A 75 10.897 3.345 -3.771 1.00 0.00 C ATOM 1105 OD1 ASP A 75 11.761 3.962 -4.428 1.00 0.00 O ATOM 1106 OD2 ASP A 75 10.360 2.289 -4.168 1.00 0.00 O ATOM 0 H ASP A 75 12.191 2.955 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 75 12.178 5.212 -2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.228 3.085 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.574 4.503 -2.551 1.00 0.00 H new ATOM 1111 N SER A 76 11.091 7.121 -1.451 1.00 0.00 N ATOM 1112 CA SER A 76 10.539 8.283 -0.765 1.00 0.00 C ATOM 1113 C SER A 76 9.687 9.120 -1.715 1.00 0.00 C ATOM 1114 O SER A 76 8.834 9.894 -1.282 1.00 0.00 O ATOM 1115 CB SER A 76 11.664 9.139 -0.183 1.00 0.00 C ATOM 1116 OG SER A 76 12.109 10.105 -1.120 1.00 0.00 O ATOM 0 H SER A 76 11.595 7.339 -2.311 1.00 0.00 H new ATOM 0 HA SER A 76 9.905 7.928 0.047 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.314 9.639 0.720 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.498 8.500 0.108 1.00 0.00 H new ATOM 0 HG SER A 76 12.827 10.640 -0.722 1.00 0.00 H new ATOM 1122 N ASN A 77 9.927 8.959 -3.013 1.00 0.00 N ATOM 1123 CA ASN A 77 9.184 9.700 -4.024 1.00 0.00 C ATOM 1124 C ASN A 77 7.840 9.034 -4.308 1.00 0.00 C ATOM 1125 O ASN A 77 7.474 8.819 -5.464 1.00 0.00 O ATOM 1126 CB ASN A 77 9.999 9.800 -5.316 1.00 0.00 C ATOM 1127 CG ASN A 77 9.391 10.772 -6.309 1.00 0.00 C ATOM 1128 OD1 ASN A 77 8.922 11.847 -5.935 1.00 0.00 O ATOM 1129 ND2 ASN A 77 9.398 10.397 -7.583 1.00 0.00 N ATOM 0 H ASN A 77 10.630 8.322 -3.388 1.00 0.00 H new ATOM 0 HA ASN A 77 8.999 10.703 -3.640 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.015 10.116 -5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.071 8.814 -5.774 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.004 11.009 -8.297 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.798 9.497 -7.847 1.00 0.00 H new ATOM 1136 N TRP A 78 7.111 8.711 -3.248 1.00 0.00 N ATOM 1137 CA TRP A 78 5.807 8.070 -3.382 1.00 0.00 C ATOM 1138 C TRP A 78 4.762 9.061 -3.881 1.00 0.00 C ATOM 1139 O TRP A 78 5.057 10.239 -4.084 1.00 0.00 O ATOM 1140 CB TRP A 78 5.368 7.475 -2.044 1.00 0.00 C ATOM 1141 CG TRP A 78 5.840 6.068 -1.836 1.00 0.00 C ATOM 1142 CD1 TRP A 78 7.134 5.640 -1.760 1.00 0.00 C ATOM 1143 CD2 TRP A 78 5.020 4.905 -1.677 1.00 0.00 C ATOM 1144 NE1 TRP A 78 7.169 4.280 -1.565 1.00 0.00 N ATOM 1145 CE2 TRP A 78 5.886 3.806 -1.509 1.00 0.00 C ATOM 1146 CE3 TRP A 78 3.641 4.683 -1.657 1.00 0.00 C ATOM 1147 CZ2 TRP A 78 5.415 2.508 -1.326 1.00 0.00 C ATOM 1148 CZ3 TRP A 78 3.175 3.395 -1.477 1.00 0.00 C ATOM 1149 CH2 TRP A 78 4.059 2.321 -1.313 1.00 0.00 C ATOM 0 H TRP A 78 7.400 8.882 -2.285 1.00 0.00 H new ATOM 0 HA TRP A 78 5.898 7.268 -4.115 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.745 8.101 -1.235 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.280 7.498 -1.984 1.00 0.00 H new ATOM 0 HD1 TRP A 78 8.003 6.277 -1.841 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.014 3.715 -1.476 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.951 5.504 -1.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 6.095 1.679 -1.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 2.111 3.213 -1.462 1.00 0.00 H new ATOM 0 HH2 TRP A 78 3.663 1.326 -1.174 1.00 0.00 H new ATOM 1160 N SER A 79 3.539 8.579 -4.074 1.00 0.00 N ATOM 1161 CA SER A 79 2.450 9.423 -4.552 1.00 0.00 C ATOM 1162 C SER A 79 1.281 9.407 -3.572 1.00 0.00 C ATOM 1163 O SER A 79 0.752 8.348 -3.236 1.00 0.00 O ATOM 1164 CB SER A 79 1.981 8.955 -5.931 1.00 0.00 C ATOM 1165 OG SER A 79 3.008 9.104 -6.897 1.00 0.00 O ATOM 0 H SER A 79 3.277 7.608 -3.907 1.00 0.00 H new ATOM 0 HA SER A 79 2.822 10.444 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.675 7.910 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.106 9.529 -6.235 1.00 0.00 H new ATOM 0 HG SER A 79 2.684 8.796 -7.769 1.00 0.00 H new ATOM 1171 N TRP A 80 0.883 10.590 -3.118 1.00 0.00 N ATOM 1172 CA TRP A 80 -0.224 10.714 -2.176 1.00 0.00 C ATOM 1173 C TRP A 80 -1.281 9.646 -2.435 1.00 0.00 C ATOM 1174 O TRP A 80 -1.794 9.027 -1.502 1.00 0.00 O ATOM 1175 CB TRP A 80 -0.852 12.105 -2.276 1.00 0.00 C ATOM 1176 CG TRP A 80 -0.123 13.144 -1.479 1.00 0.00 C ATOM 1177 CD1 TRP A 80 0.459 14.284 -1.957 1.00 0.00 C ATOM 1178 CD2 TRP A 80 0.104 13.138 -0.065 1.00 0.00 C ATOM 1179 NE1 TRP A 80 1.033 14.986 -0.924 1.00 0.00 N ATOM 1180 CE2 TRP A 80 0.829 14.305 0.246 1.00 0.00 C ATOM 1181 CE3 TRP A 80 -0.238 12.262 0.968 1.00 0.00 C ATOM 1182 CZ2 TRP A 80 1.218 14.614 1.546 1.00 0.00 C ATOM 1183 CZ3 TRP A 80 0.150 12.570 2.258 1.00 0.00 C ATOM 1184 CH2 TRP A 80 0.871 13.739 2.538 1.00 0.00 C ATOM 0 H TRP A 80 1.310 11.477 -3.387 1.00 0.00 H new ATOM 0 HA TRP A 80 0.170 10.572 -1.170 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -0.876 12.411 -3.322 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -1.886 12.055 -1.935 1.00 0.00 H new ATOM 0 HD1 TRP A 80 0.467 14.588 -2.993 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.531 15.872 -1.015 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.796 11.360 0.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 1.775 15.514 1.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.107 11.899 3.064 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.158 13.953 3.557 1.00 0.00 H new ATOM 1195 N PHE A 81 -1.603 9.433 -3.707 1.00 0.00 N ATOM 1196 CA PHE A 81 -2.599 8.440 -4.088 1.00 0.00 C ATOM 1197 C PHE A 81 -2.121 7.032 -3.748 1.00 0.00 C ATOM 1198 O PHE A 81 -2.833 6.262 -3.106 1.00 0.00 O ATOM 1199 CB PHE A 81 -2.904 8.540 -5.584 1.00 0.00 C ATOM 1200 CG PHE A 81 -3.958 7.575 -6.047 1.00 0.00 C ATOM 1201 CD1 PHE A 81 -5.301 7.899 -5.956 1.00 0.00 C ATOM 1202 CD2 PHE A 81 -3.604 6.343 -6.574 1.00 0.00 C ATOM 1203 CE1 PHE A 81 -6.273 7.013 -6.380 1.00 0.00 C ATOM 1204 CE2 PHE A 81 -4.571 5.452 -6.999 1.00 0.00 C ATOM 1205 CZ PHE A 81 -5.907 5.788 -6.904 1.00 0.00 C ATOM 0 H PHE A 81 -1.188 9.936 -4.491 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.510 8.641 -3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.226 9.556 -5.814 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -1.987 8.362 -6.146 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.592 8.856 -5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.560 6.076 -6.653 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.317 7.278 -6.302 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.282 4.494 -7.405 1.00 0.00 H new ATOM 0 HZ PHE A 81 -6.664 5.095 -7.239 1.00 0.00 H new ATOM 1215 N GLN A 82 -0.909 6.703 -4.186 1.00 0.00 N ATOM 1216 CA GLN A 82 -0.336 5.387 -3.930 1.00 0.00 C ATOM 1217 C GLN A 82 -0.254 5.110 -2.432 1.00 0.00 C ATOM 1218 O GLN A 82 -0.426 3.974 -1.989 1.00 0.00 O ATOM 1219 CB GLN A 82 1.056 5.283 -4.555 1.00 0.00 C ATOM 1220 CG GLN A 82 1.034 5.169 -6.072 1.00 0.00 C ATOM 1221 CD GLN A 82 2.269 4.483 -6.623 1.00 0.00 C ATOM 1222 OE1 GLN A 82 2.176 3.440 -7.271 1.00 0.00 O ATOM 1223 NE2 GLN A 82 3.434 5.066 -6.369 1.00 0.00 N ATOM 0 H GLN A 82 -0.306 7.329 -4.719 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.988 4.641 -4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.638 6.160 -4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.567 4.414 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.147 4.614 -6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.952 6.165 -6.506 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.465 5.930 -5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.299 4.650 -6.715 1.00 0.00 H new ATOM 1232 N LEU A 83 0.009 6.157 -1.657 1.00 0.00 N ATOM 1233 CA LEU A 83 0.114 6.028 -0.207 1.00 0.00 C ATOM 1234 C LEU A 83 -1.197 5.527 0.391 1.00 0.00 C ATOM 1235 O LEU A 83 -1.248 4.453 0.990 1.00 0.00 O ATOM 1236 CB LEU A 83 0.493 7.370 0.419 1.00 0.00 C ATOM 1237 CG LEU A 83 1.990 7.637 0.579 1.00 0.00 C ATOM 1238 CD1 LEU A 83 2.245 9.114 0.835 1.00 0.00 C ATOM 1239 CD2 LEU A 83 2.564 6.791 1.708 1.00 0.00 C ATOM 0 H LEU A 83 0.153 7.104 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 83 0.894 5.299 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.065 8.166 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.026 7.435 1.402 1.00 0.00 H new ATOM 0 HG LEU A 83 2.491 7.359 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.316 9.284 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.870 9.699 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.732 9.419 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.630 6.993 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.058 7.038 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.415 5.735 1.483 1.00 0.00 H new ATOM 1251 N ARG A 84 -2.257 6.313 0.222 1.00 0.00 N ATOM 1252 CA ARG A 84 -3.569 5.949 0.744 1.00 0.00 C ATOM 1253 C ARG A 84 -3.875 4.479 0.471 1.00 0.00 C ATOM 1254 O ARG A 84 -4.304 3.747 1.363 1.00 0.00 O ATOM 1255 CB ARG A 84 -4.652 6.830 0.121 1.00 0.00 C ATOM 1256 CG ARG A 84 -4.419 8.319 0.329 1.00 0.00 C ATOM 1257 CD ARG A 84 -4.254 8.657 1.802 1.00 0.00 C ATOM 1258 NE ARG A 84 -4.755 9.991 2.116 1.00 0.00 N ATOM 1259 CZ ARG A 84 -4.168 11.112 1.711 1.00 0.00 C ATOM 1260 NH1 ARG A 84 -3.063 11.058 0.980 1.00 0.00 N ATOM 1261 NH2 ARG A 84 -4.684 12.290 2.038 1.00 0.00 N ATOM 0 H ARG A 84 -2.232 7.205 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.559 6.106 1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.705 6.625 -0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.618 6.559 0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.529 8.629 -0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.258 8.881 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.784 7.920 2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.200 8.592 2.073 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.603 10.067 2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.662 10.155 0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.614 11.920 0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.533 12.336 2.601 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.232 13.149 1.726 1.00 0.00 H new ATOM 1275 N CYS A 85 -3.650 4.054 -0.768 1.00 0.00 N ATOM 1276 CA CYS A 85 -3.904 2.673 -1.160 1.00 0.00 C ATOM 1277 C CYS A 85 -3.497 1.709 -0.049 1.00 0.00 C ATOM 1278 O CYS A 85 -4.212 0.753 0.249 1.00 0.00 O ATOM 1279 CB CYS A 85 -3.144 2.338 -2.444 1.00 0.00 C ATOM 1280 SG CYS A 85 -3.697 3.270 -3.892 1.00 0.00 S ATOM 0 H CYS A 85 -3.292 4.646 -1.517 1.00 0.00 H new ATOM 0 HA CYS A 85 -4.974 2.563 -1.339 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.083 2.529 -2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.249 1.273 -2.649 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.418 4.529 -3.730 1.00 0.00 H new ATOM 1286 N MET A 86 -2.343 1.967 0.557 1.00 0.00 N ATOM 1287 CA MET A 86 -1.841 1.122 1.635 1.00 0.00 C ATOM 1288 C MET A 86 -2.746 1.208 2.859 1.00 0.00 C ATOM 1289 O MET A 86 -3.002 0.205 3.524 1.00 0.00 O ATOM 1290 CB MET A 86 -0.415 1.531 2.010 1.00 0.00 C ATOM 1291 CG MET A 86 0.515 1.658 0.815 1.00 0.00 C ATOM 1292 SD MET A 86 0.647 0.129 -0.130 1.00 0.00 S ATOM 1293 CE MET A 86 1.427 -0.945 1.074 1.00 0.00 C ATOM 0 H MET A 86 -1.738 2.754 0.321 1.00 0.00 H new ATOM 0 HA MET A 86 -1.834 0.091 1.282 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.446 2.484 2.539 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.005 0.796 2.702 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.155 2.453 0.163 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.506 1.953 1.161 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.769 -1.855 0.582 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.279 -0.432 1.521 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.708 -1.201 1.852 1.00 0.00 H new ATOM 1303 N GLN A 87 -3.225 2.413 3.153 1.00 0.00 N ATOM 1304 CA GLN A 87 -4.101 2.628 4.298 1.00 0.00 C ATOM 1305 C GLN A 87 -5.455 1.960 4.082 1.00 0.00 C ATOM 1306 O GLN A 87 -5.854 1.080 4.845 1.00 0.00 O ATOM 1307 CB GLN A 87 -4.292 4.125 4.547 1.00 0.00 C ATOM 1308 CG GLN A 87 -2.985 4.891 4.677 1.00 0.00 C ATOM 1309 CD GLN A 87 -2.403 4.817 6.075 1.00 0.00 C ATOM 1310 OE1 GLN A 87 -2.531 3.802 6.761 1.00 0.00 O ATOM 1311 NE2 GLN A 87 -1.758 5.894 6.506 1.00 0.00 N ATOM 0 H GLN A 87 -3.021 3.255 2.614 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.630 2.178 5.172 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.873 4.550 3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.876 4.262 5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.262 4.493 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.152 5.935 4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.675 6.714 5.905 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.345 5.902 7.439 1.00 0.00 H new ATOM 1320 N VAL A 88 -6.158 2.384 3.036 1.00 0.00 N ATOM 1321 CA VAL A 88 -7.468 1.827 2.719 1.00 0.00 C ATOM 1322 C VAL A 88 -7.416 0.304 2.653 1.00 0.00 C ATOM 1323 O VAL A 88 -8.408 -0.373 2.918 1.00 0.00 O ATOM 1324 CB VAL A 88 -7.999 2.370 1.379 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -8.079 3.888 1.413 1.00 0.00 C ATOM 1326 CG2 VAL A 88 -7.123 1.898 0.229 1.00 0.00 C ATOM 0 H VAL A 88 -5.842 3.111 2.394 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.143 2.130 3.519 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.005 1.981 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.456 4.254 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.752 4.199 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.086 4.301 1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.513 2.291 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.104 2.256 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.124 0.809 0.195 1.00 0.00 H new ATOM 1336 N GLY A 89 -6.251 -0.228 2.298 1.00 0.00 N ATOM 1337 CA GLY A 89 -6.090 -1.667 2.203 1.00 0.00 C ATOM 1338 C GLY A 89 -5.395 -2.254 3.416 1.00 0.00 C ATOM 1339 O GLY A 89 -5.667 -1.857 4.549 1.00 0.00 O ATOM 0 H GLY A 89 -5.415 0.312 2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.069 -2.132 2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.516 -1.907 1.308 1.00 0.00 H new ATOM 1343 N GLY A 90 -4.494 -3.202 3.178 1.00 0.00 N ATOM 1344 CA GLY A 90 -3.772 -3.830 4.270 1.00 0.00 C ATOM 1345 C GLY A 90 -3.665 -5.333 4.104 1.00 0.00 C ATOM 1346 O GLY A 90 -4.432 -5.938 3.358 1.00 0.00 O ATOM 0 H GLY A 90 -4.251 -3.546 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.771 -3.402 4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.275 -3.606 5.211 1.00 0.00 H new ATOM 1350 N ASN A 91 -2.707 -5.936 4.802 1.00 0.00 N ATOM 1351 CA ASN A 91 -2.499 -7.378 4.727 1.00 0.00 C ATOM 1352 C ASN A 91 -3.789 -8.130 5.045 1.00 0.00 C ATOM 1353 O ASN A 91 -4.223 -8.987 4.277 1.00 0.00 O ATOM 1354 CB ASN A 91 -1.394 -7.806 5.694 1.00 0.00 C ATOM 1355 CG ASN A 91 -0.058 -7.165 5.365 1.00 0.00 C ATOM 1356 OD1 ASN A 91 0.015 -5.973 5.072 1.00 0.00 O ATOM 1357 ND2 ASN A 91 1.005 -7.959 5.414 1.00 0.00 N ATOM 0 H ASN A 91 -2.063 -5.449 5.425 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.197 -7.625 3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.681 -7.539 6.711 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.290 -8.891 5.666 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.931 -7.586 5.204 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.896 -8.942 5.662 1.00 0.00 H new ATOM 1364 N ALA A 92 -4.394 -7.802 6.182 1.00 0.00 N ATOM 1365 CA ALA A 92 -5.633 -8.443 6.600 1.00 0.00 C ATOM 1366 C ALA A 92 -6.743 -8.211 5.582 1.00 0.00 C ATOM 1367 O ALA A 92 -7.417 -9.149 5.158 1.00 0.00 O ATOM 1368 CB ALA A 92 -6.055 -7.934 7.971 1.00 0.00 C ATOM 0 H ALA A 92 -4.045 -7.096 6.830 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.454 -9.516 6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.983 -8.422 8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.275 -8.159 8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.210 -6.856 7.927 1.00 0.00 H new ATOM 1374 N SER A 93 -6.929 -6.953 5.193 1.00 0.00 N ATOM 1375 CA SER A 93 -7.961 -6.595 4.227 1.00 0.00 C ATOM 1376 C SER A 93 -8.108 -7.680 3.164 1.00 0.00 C ATOM 1377 O SER A 93 -9.214 -8.138 2.877 1.00 0.00 O ATOM 1378 CB SER A 93 -7.628 -5.257 3.565 1.00 0.00 C ATOM 1379 OG SER A 93 -8.086 -4.171 4.352 1.00 0.00 O ATOM 0 H SER A 93 -6.378 -6.165 5.532 1.00 0.00 H new ATOM 0 HA SER A 93 -8.907 -6.502 4.760 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.551 -5.177 3.421 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.086 -5.213 2.577 1.00 0.00 H new ATOM 0 HG SER A 93 -7.860 -3.327 3.908 1.00 0.00 H new ATOM 1385 N ALA A 94 -6.984 -8.084 2.581 1.00 0.00 N ATOM 1386 CA ALA A 94 -6.986 -9.114 1.550 1.00 0.00 C ATOM 1387 C ALA A 94 -7.219 -10.495 2.155 1.00 0.00 C ATOM 1388 O ALA A 94 -8.079 -11.247 1.696 1.00 0.00 O ATOM 1389 CB ALA A 94 -5.676 -9.090 0.776 1.00 0.00 C ATOM 0 H ALA A 94 -6.061 -7.713 2.805 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.805 -8.903 0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.692 -9.865 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.550 -8.115 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.846 -9.273 1.459 1.00 0.00 H new ATOM 1395 N SER A 95 -6.447 -10.822 3.186 1.00 0.00 N ATOM 1396 CA SER A 95 -6.567 -12.115 3.851 1.00 0.00 C ATOM 1397 C SER A 95 -8.028 -12.544 3.946 1.00 0.00 C ATOM 1398 O SER A 95 -8.362 -13.705 3.710 1.00 0.00 O ATOM 1399 CB SER A 95 -5.951 -12.051 5.250 1.00 0.00 C ATOM 1400 OG SER A 95 -5.738 -13.351 5.772 1.00 0.00 O ATOM 0 H SER A 95 -5.732 -10.210 3.579 1.00 0.00 H new ATOM 0 HA SER A 95 -6.028 -12.853 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.004 -11.512 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.609 -11.492 5.915 1.00 0.00 H new ATOM 0 HG SER A 95 -5.342 -13.284 6.666 1.00 0.00 H new ATOM 1406 N SER A 96 -8.895 -11.597 4.291 1.00 0.00 N ATOM 1407 CA SER A 96 -10.321 -11.877 4.421 1.00 0.00 C ATOM 1408 C SER A 96 -11.027 -11.731 3.077 1.00 0.00 C ATOM 1409 O SER A 96 -11.807 -12.594 2.674 1.00 0.00 O ATOM 1410 CB SER A 96 -10.954 -10.937 5.449 1.00 0.00 C ATOM 1411 OG SER A 96 -10.824 -11.455 6.761 1.00 0.00 O ATOM 0 H SER A 96 -8.635 -10.630 4.485 1.00 0.00 H new ATOM 0 HA SER A 96 -10.436 -12.906 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.478 -9.958 5.392 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.009 -10.793 5.214 1.00 0.00 H new ATOM 0 HG SER A 96 -11.235 -10.835 7.400 1.00 0.00 H new ATOM 1417 N PHE A 97 -10.749 -10.629 2.386 1.00 0.00 N ATOM 1418 CA PHE A 97 -11.358 -10.367 1.087 1.00 0.00 C ATOM 1419 C PHE A 97 -11.309 -11.610 0.203 1.00 0.00 C ATOM 1420 O PHE A 97 -12.340 -12.089 -0.270 1.00 0.00 O ATOM 1421 CB PHE A 97 -10.648 -9.205 0.393 1.00 0.00 C ATOM 1422 CG PHE A 97 -11.340 -8.739 -0.856 1.00 0.00 C ATOM 1423 CD1 PHE A 97 -11.201 -9.440 -2.043 1.00 0.00 C ATOM 1424 CD2 PHE A 97 -12.130 -7.600 -0.843 1.00 0.00 C ATOM 1425 CE1 PHE A 97 -11.837 -9.014 -3.194 1.00 0.00 C ATOM 1426 CE2 PHE A 97 -12.768 -7.169 -1.991 1.00 0.00 C ATOM 1427 CZ PHE A 97 -12.623 -7.878 -3.168 1.00 0.00 C ATOM 0 H PHE A 97 -10.106 -9.904 2.704 1.00 0.00 H new ATOM 0 HA PHE A 97 -12.402 -10.100 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -10.570 -8.370 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.631 -9.508 0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.589 -10.329 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -12.248 -7.043 0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -11.720 -9.569 -4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -13.379 -6.279 -1.968 1.00 0.00 H new ATOM 0 HZ PHE A 97 -13.123 -7.545 -4.066 1.00 0.00 H new ATOM 1437 N PHE A 98 -10.104 -12.126 -0.016 1.00 0.00 N ATOM 1438 CA PHE A 98 -9.919 -13.311 -0.844 1.00 0.00 C ATOM 1439 C PHE A 98 -10.853 -14.435 -0.403 1.00 0.00 C ATOM 1440 O PHE A 98 -11.717 -14.874 -1.163 1.00 0.00 O ATOM 1441 CB PHE A 98 -8.466 -13.785 -0.776 1.00 0.00 C ATOM 1442 CG PHE A 98 -7.558 -13.076 -1.740 1.00 0.00 C ATOM 1443 CD1 PHE A 98 -7.419 -13.528 -3.043 1.00 0.00 C ATOM 1444 CD2 PHE A 98 -6.845 -11.957 -1.344 1.00 0.00 C ATOM 1445 CE1 PHE A 98 -6.585 -12.878 -3.932 1.00 0.00 C ATOM 1446 CE2 PHE A 98 -6.009 -11.302 -2.230 1.00 0.00 C ATOM 1447 CZ PHE A 98 -5.879 -11.763 -3.524 1.00 0.00 C ATOM 0 H PHE A 98 -9.241 -11.742 0.369 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.160 -13.045 -1.873 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.092 -13.639 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.432 -14.856 -0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -7.969 -14.399 -3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.943 -11.592 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.485 -13.241 -4.944 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.458 -10.430 -1.909 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.226 -11.253 -4.217 1.00 0.00 H new ATOM 1457 N HIS A 99 -10.673 -14.896 0.831 1.00 0.00 N ATOM 1458 CA HIS A 99 -11.499 -15.968 1.375 1.00 0.00 C ATOM 1459 C HIS A 99 -12.979 -15.699 1.116 1.00 0.00 C ATOM 1460 O HIS A 99 -13.692 -16.555 0.594 1.00 0.00 O ATOM 1461 CB HIS A 99 -11.251 -16.120 2.875 1.00 0.00 C ATOM 1462 CG HIS A 99 -11.637 -17.463 3.414 1.00 0.00 C ATOM 1463 ND1 HIS A 99 -10.884 -18.146 4.345 1.00 0.00 N ATOM 1464 CD2 HIS A 99 -12.707 -18.250 3.147 1.00 0.00 C ATOM 1465 CE1 HIS A 99 -11.472 -19.296 4.626 1.00 0.00 C ATOM 1466 NE2 HIS A 99 -12.580 -19.383 3.912 1.00 0.00 N ATOM 0 H HIS A 99 -9.963 -14.544 1.473 1.00 0.00 H new ATOM 0 HA HIS A 99 -11.224 -16.896 0.873 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -10.195 -15.946 3.080 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -11.810 -15.350 3.407 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -13.510 -18.028 2.460 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.108 -20.038 5.321 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -13.235 -20.165 3.927 1.00 0.00 H new ATOM 1474 N GLN A 100 -13.431 -14.505 1.484 1.00 0.00 N ATOM 1475 CA GLN A 100 -14.825 -14.124 1.293 1.00 0.00 C ATOM 1476 C GLN A 100 -15.324 -14.557 -0.081 1.00 0.00 C ATOM 1477 O GLN A 100 -16.377 -15.183 -0.202 1.00 0.00 O ATOM 1478 CB GLN A 100 -14.991 -12.612 1.457 1.00 0.00 C ATOM 1479 CG GLN A 100 -15.055 -12.160 2.906 1.00 0.00 C ATOM 1480 CD GLN A 100 -15.744 -10.819 3.069 1.00 0.00 C ATOM 1481 OE1 GLN A 100 -15.154 -9.864 3.575 1.00 0.00 O ATOM 1482 NE2 GLN A 100 -16.997 -10.740 2.640 1.00 0.00 N ATOM 0 H GLN A 100 -12.852 -13.785 1.916 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.421 -14.631 2.052 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.159 -12.108 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.901 -12.298 0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.584 -12.910 3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.044 -12.096 3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.447 -11.557 2.227 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.510 -9.862 2.723 1.00 0.00 H new ATOM 1491 N HIS A 101 -14.560 -14.219 -1.116 1.00 0.00 N ATOM 1492 CA HIS A 101 -14.925 -14.574 -2.483 1.00 0.00 C ATOM 1493 C HIS A 101 -14.931 -16.089 -2.669 1.00 0.00 C ATOM 1494 O HIS A 101 -15.950 -16.676 -3.028 1.00 0.00 O ATOM 1495 CB HIS A 101 -13.956 -13.930 -3.474 1.00 0.00 C ATOM 1496 CG HIS A 101 -14.456 -13.927 -4.886 1.00 0.00 C ATOM 1497 ND1 HIS A 101 -14.194 -14.945 -5.780 1.00 0.00 N ATOM 1498 CD2 HIS A 101 -15.210 -13.025 -5.557 1.00 0.00 C ATOM 1499 CE1 HIS A 101 -14.763 -14.666 -6.939 1.00 0.00 C ATOM 1500 NE2 HIS A 101 -15.385 -13.507 -6.830 1.00 0.00 N ATOM 0 H HIS A 101 -13.686 -13.700 -1.034 1.00 0.00 H new ATOM 0 HA HIS A 101 -15.931 -14.199 -2.674 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -13.762 -12.903 -3.164 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.004 -14.460 -3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -15.601 -12.098 -5.164 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.726 -15.282 -7.825 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -15.911 -13.044 -7.572 1.00 0.00 H new ATOM 1508 N GLY A 102 -13.784 -16.715 -2.421 1.00 0.00 N ATOM 1509 CA GLY A 102 -13.679 -18.155 -2.568 1.00 0.00 C ATOM 1510 C GLY A 102 -12.566 -18.561 -3.515 1.00 0.00 C ATOM 1511 O GLY A 102 -12.749 -19.443 -4.355 1.00 0.00 O ATOM 0 H GLY A 102 -12.927 -16.251 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.503 -18.605 -1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.626 -18.550 -2.935 1.00 0.00 H new ATOM 1515 N CYS A 103 -11.414 -17.916 -3.382 1.00 0.00 N ATOM 1516 CA CYS A 103 -10.268 -18.214 -4.233 1.00 0.00 C ATOM 1517 C CYS A 103 -9.182 -18.945 -3.451 1.00 0.00 C ATOM 1518 O CYS A 103 -8.215 -18.336 -2.994 1.00 0.00 O ATOM 1519 CB CYS A 103 -9.702 -16.925 -4.832 1.00 0.00 C ATOM 1520 SG CYS A 103 -8.162 -17.153 -5.753 1.00 0.00 S ATOM 0 H CYS A 103 -11.248 -17.183 -2.693 1.00 0.00 H new ATOM 0 HA CYS A 103 -10.607 -18.864 -5.040 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.448 -16.487 -5.495 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.530 -16.209 -4.029 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.058 -16.228 -6.661 1.00 0.00 H new ATOM 1526 N SER A 104 -9.351 -20.255 -3.297 1.00 0.00 N ATOM 1527 CA SER A 104 -8.389 -21.068 -2.564 1.00 0.00 C ATOM 1528 C SER A 104 -7.210 -21.452 -3.454 1.00 0.00 C ATOM 1529 O SER A 104 -7.184 -22.536 -4.039 1.00 0.00 O ATOM 1530 CB SER A 104 -9.064 -22.330 -2.021 1.00 0.00 C ATOM 1531 OG SER A 104 -8.121 -23.184 -1.395 1.00 0.00 O ATOM 0 H SER A 104 -10.145 -20.775 -3.670 1.00 0.00 H new ATOM 0 HA SER A 104 -8.014 -20.476 -1.729 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.839 -22.053 -1.306 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.557 -22.862 -2.835 1.00 0.00 H new ATOM 0 HG SER A 104 -8.577 -23.982 -1.055 1.00 0.00 H new ATOM 1537 N THR A 105 -6.235 -20.554 -3.553 1.00 0.00 N ATOM 1538 CA THR A 105 -5.054 -20.795 -4.373 1.00 0.00 C ATOM 1539 C THR A 105 -3.830 -20.097 -3.792 1.00 0.00 C ATOM 1540 O THR A 105 -3.888 -18.923 -3.426 1.00 0.00 O ATOM 1541 CB THR A 105 -5.267 -20.314 -5.820 1.00 0.00 C ATOM 1542 OG1 THR A 105 -6.343 -21.040 -6.424 1.00 0.00 O ATOM 1543 CG2 THR A 105 -4.001 -20.497 -6.643 1.00 0.00 C ATOM 0 H THR A 105 -6.240 -19.653 -3.075 1.00 0.00 H new ATOM 0 HA THR A 105 -4.887 -21.872 -4.377 1.00 0.00 H new ATOM 0 HB THR A 105 -5.514 -19.253 -5.794 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.473 -20.727 -7.344 1.00 0.00 H new ATOM 0 HG21 THR A 105 -4.176 -20.150 -7.661 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.191 -19.920 -6.197 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.728 -21.552 -6.661 1.00 0.00 H new ATOM 1551 N ASN A 106 -2.721 -20.825 -3.710 1.00 0.00 N ATOM 1552 CA ASN A 106 -1.482 -20.275 -3.174 1.00 0.00 C ATOM 1553 C ASN A 106 -0.628 -19.673 -4.285 1.00 0.00 C ATOM 1554 O ASN A 106 -0.083 -18.578 -4.140 1.00 0.00 O ATOM 1555 CB ASN A 106 -0.693 -21.361 -2.440 1.00 0.00 C ATOM 1556 CG ASN A 106 -0.275 -22.493 -3.358 1.00 0.00 C ATOM 1557 OD1 ASN A 106 -1.112 -23.266 -3.828 1.00 0.00 O ATOM 1558 ND2 ASN A 106 1.023 -22.597 -3.620 1.00 0.00 N ATOM 0 H ASN A 106 -2.655 -21.798 -4.008 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.740 -19.484 -2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 106 0.194 -20.918 -1.987 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.300 -21.761 -1.628 1.00 0.00 H new ATOM 0 HD21 ASN A 106 1.362 -23.339 -4.232 1.00 0.00 H new ATOM 0 HD22 ASN A 106 1.681 -21.935 -3.209 1.00 0.00 H new ATOM 1565 N ASP A 107 -0.517 -20.395 -5.395 1.00 0.00 N ATOM 1566 CA ASP A 107 0.269 -19.932 -6.534 1.00 0.00 C ATOM 1567 C ASP A 107 0.183 -18.415 -6.672 1.00 0.00 C ATOM 1568 O ASP A 107 -0.903 -17.837 -6.625 1.00 0.00 O ATOM 1569 CB ASP A 107 -0.213 -20.603 -7.820 1.00 0.00 C ATOM 1570 CG ASP A 107 -0.018 -22.106 -7.799 1.00 0.00 C ATOM 1571 OD1 ASP A 107 1.065 -22.569 -8.213 1.00 0.00 O ATOM 1572 OD2 ASP A 107 -0.948 -22.819 -7.367 1.00 0.00 O ATOM 0 H ASP A 107 -0.961 -21.303 -5.531 1.00 0.00 H new ATOM 0 HA ASP A 107 1.310 -20.204 -6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.269 -20.379 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.325 -20.182 -8.669 1.00 0.00 H new ATOM 1577 N THR A 108 1.336 -17.775 -6.843 1.00 0.00 N ATOM 1578 CA THR A 108 1.391 -16.326 -6.986 1.00 0.00 C ATOM 1579 C THR A 108 0.971 -15.896 -8.386 1.00 0.00 C ATOM 1580 O THR A 108 0.289 -14.886 -8.557 1.00 0.00 O ATOM 1581 CB THR A 108 2.805 -15.787 -6.698 1.00 0.00 C ATOM 1582 OG1 THR A 108 3.179 -16.088 -5.349 1.00 0.00 O ATOM 1583 CG2 THR A 108 2.866 -14.284 -6.924 1.00 0.00 C ATOM 0 H THR A 108 2.244 -18.238 -6.886 1.00 0.00 H new ATOM 0 HA THR A 108 0.696 -15.909 -6.257 1.00 0.00 H new ATOM 0 HB THR A 108 3.501 -16.270 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.080 -15.744 -5.175 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.874 -13.925 -6.715 1.00 0.00 H new ATOM 0 HG22 THR A 108 2.609 -14.061 -7.960 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.159 -13.787 -6.260 1.00 0.00 H new ATOM 1591 N ASN A 109 1.382 -16.668 -9.386 1.00 0.00 N ATOM 1592 CA ASN A 109 1.047 -16.367 -10.774 1.00 0.00 C ATOM 1593 C ASN A 109 -0.409 -16.709 -11.069 1.00 0.00 C ATOM 1594 O ASN A 109 -0.928 -16.393 -12.139 1.00 0.00 O ATOM 1595 CB ASN A 109 1.967 -17.139 -11.721 1.00 0.00 C ATOM 1596 CG ASN A 109 1.546 -17.005 -13.172 1.00 0.00 C ATOM 1597 OD1 ASN A 109 0.893 -17.891 -13.724 1.00 0.00 O ATOM 1598 ND2 ASN A 109 1.919 -15.895 -13.797 1.00 0.00 N ATOM 0 H ASN A 109 1.948 -17.507 -9.262 1.00 0.00 H new ATOM 0 HA ASN A 109 1.189 -15.298 -10.932 1.00 0.00 H new ATOM 0 HB2 ASN A 109 2.989 -16.776 -11.607 1.00 0.00 H new ATOM 0 HB3 ASN A 109 1.970 -18.193 -11.442 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.665 -15.750 -14.774 1.00 0.00 H new ATOM 0 HD22 ASN A 109 2.460 -15.187 -13.300 1.00 0.00 H new ATOM 1605 N ALA A 110 -1.065 -17.358 -10.111 1.00 0.00 N ATOM 1606 CA ALA A 110 -2.462 -17.742 -10.268 1.00 0.00 C ATOM 1607 C ALA A 110 -3.350 -16.993 -9.279 1.00 0.00 C ATOM 1608 O ALA A 110 -4.275 -16.283 -9.673 1.00 0.00 O ATOM 1609 CB ALA A 110 -2.620 -19.245 -10.089 1.00 0.00 C ATOM 0 H ALA A 110 -0.651 -17.628 -9.219 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.777 -17.473 -11.276 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.669 -19.517 -10.209 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.022 -19.765 -10.837 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.283 -19.530 -9.092 1.00 0.00 H new ATOM 1615 N LYS A 111 -3.063 -17.158 -7.992 1.00 0.00 N ATOM 1616 CA LYS A 111 -3.836 -16.497 -6.946 1.00 0.00 C ATOM 1617 C LYS A 111 -4.026 -15.017 -7.261 1.00 0.00 C ATOM 1618 O LYS A 111 -5.109 -14.465 -7.066 1.00 0.00 O ATOM 1619 CB LYS A 111 -3.139 -16.657 -5.592 1.00 0.00 C ATOM 1620 CG LYS A 111 -3.836 -15.923 -4.459 1.00 0.00 C ATOM 1621 CD LYS A 111 -2.892 -15.666 -3.296 1.00 0.00 C ATOM 1622 CE LYS A 111 -3.596 -14.947 -2.156 1.00 0.00 C ATOM 1623 NZ LYS A 111 -4.398 -15.883 -1.320 1.00 0.00 N ATOM 0 H LYS A 111 -2.302 -17.743 -7.648 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.818 -16.968 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.081 -17.717 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -2.115 -16.292 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.229 -14.975 -4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.688 -16.509 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.489 -16.613 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -2.046 -15.069 -3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.857 -14.445 -1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -4.248 -14.174 -2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.862 -15.354 -0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.120 -16.343 -1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.772 -16.606 -0.911 1.00 0.00 H new ATOM 1637 N TYR A 112 -2.967 -14.381 -7.751 1.00 0.00 N ATOM 1638 CA TYR A 112 -3.017 -12.965 -8.092 1.00 0.00 C ATOM 1639 C TYR A 112 -3.661 -12.757 -9.460 1.00 0.00 C ATOM 1640 O TYR A 112 -4.299 -11.734 -9.708 1.00 0.00 O ATOM 1641 CB TYR A 112 -1.610 -12.366 -8.083 1.00 0.00 C ATOM 1642 CG TYR A 112 -1.081 -12.084 -6.695 1.00 0.00 C ATOM 1643 CD1 TYR A 112 -1.545 -10.998 -5.961 1.00 0.00 C ATOM 1644 CD2 TYR A 112 -0.118 -12.902 -6.117 1.00 0.00 C ATOM 1645 CE1 TYR A 112 -1.064 -10.736 -4.693 1.00 0.00 C ATOM 1646 CE2 TYR A 112 0.367 -12.648 -4.849 1.00 0.00 C ATOM 1647 CZ TYR A 112 -0.109 -11.563 -4.141 1.00 0.00 C ATOM 1648 OH TYR A 112 0.373 -11.307 -2.878 1.00 0.00 O ATOM 0 H TYR A 112 -2.064 -14.824 -7.921 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.625 -12.458 -7.342 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.930 -13.050 -8.590 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.615 -11.439 -8.656 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.294 -10.349 -6.389 1.00 0.00 H new ATOM 0 HD2 TYR A 112 0.258 -13.751 -6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.434 -9.888 -4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 112 1.115 -13.295 -4.414 1.00 0.00 H new ATOM 0 HH TYR A 112 1.039 -11.985 -2.638 1.00 0.00 H new ATOM 1658 N ASN A 113 -3.490 -13.736 -10.342 1.00 0.00 N ATOM 1659 CA ASN A 113 -4.054 -13.661 -11.685 1.00 0.00 C ATOM 1660 C ASN A 113 -5.479 -14.208 -11.707 1.00 0.00 C ATOM 1661 O ASN A 113 -5.947 -14.707 -12.732 1.00 0.00 O ATOM 1662 CB ASN A 113 -3.181 -14.439 -12.671 1.00 0.00 C ATOM 1663 CG ASN A 113 -1.856 -13.753 -12.936 1.00 0.00 C ATOM 1664 OD1 ASN A 113 -0.899 -13.943 -12.035 1.00 0.00 O flip ATOM 1665 ND2 ASN A 113 -1.693 -13.059 -13.940 1.00 0.00 N flip ATOM 0 H ASN A 113 -2.966 -14.590 -10.151 1.00 0.00 H new ATOM 0 HA ASN A 113 -4.081 -12.613 -11.984 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -2.997 -15.439 -12.278 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -3.719 -14.560 -13.611 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -2.456 -12.940 -14.607 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.795 -12.603 -14.105 1.00 0.00 H new ATOM 1672 N SER A 114 -6.163 -14.111 -10.572 1.00 0.00 N ATOM 1673 CA SER A 114 -7.532 -14.599 -10.460 1.00 0.00 C ATOM 1674 C SER A 114 -8.510 -13.440 -10.294 1.00 0.00 C ATOM 1675 O SER A 114 -8.104 -12.289 -10.134 1.00 0.00 O ATOM 1676 CB SER A 114 -7.658 -15.561 -9.278 1.00 0.00 C ATOM 1677 OG SER A 114 -7.826 -14.854 -8.060 1.00 0.00 O ATOM 0 H SER A 114 -5.791 -13.699 -9.716 1.00 0.00 H new ATOM 0 HA SER A 114 -7.778 -15.130 -11.379 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.507 -16.227 -9.436 1.00 0.00 H new ATOM 0 HB3 SER A 114 -6.768 -16.188 -9.219 1.00 0.00 H new ATOM 0 HG SER A 114 -6.949 -14.683 -7.657 1.00 0.00 H new ATOM 1683 N ARG A 115 -9.800 -13.753 -10.333 1.00 0.00 N ATOM 1684 CA ARG A 115 -10.837 -12.738 -10.187 1.00 0.00 C ATOM 1685 C ARG A 115 -10.785 -12.101 -8.802 1.00 0.00 C ATOM 1686 O ARG A 115 -10.687 -10.881 -8.671 1.00 0.00 O ATOM 1687 CB ARG A 115 -12.219 -13.351 -10.427 1.00 0.00 C ATOM 1688 CG ARG A 115 -13.326 -12.320 -10.574 1.00 0.00 C ATOM 1689 CD ARG A 115 -13.248 -11.607 -11.915 1.00 0.00 C ATOM 1690 NE ARG A 115 -13.899 -12.370 -12.978 1.00 0.00 N ATOM 1691 CZ ARG A 115 -15.200 -12.633 -13.003 1.00 0.00 C ATOM 1692 NH1 ARG A 115 -15.986 -12.198 -12.028 1.00 0.00 N ATOM 1693 NH2 ARG A 115 -15.717 -13.333 -14.004 1.00 0.00 N ATOM 0 H ARG A 115 -10.153 -14.701 -10.464 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.657 -11.962 -10.931 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -12.184 -13.964 -11.327 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -12.461 -14.016 -9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -14.295 -12.809 -10.476 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -13.254 -11.590 -9.768 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -13.717 -10.627 -11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.203 -11.439 -12.176 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.322 -12.720 -13.743 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -15.591 -11.660 -11.256 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -16.985 -12.401 -12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.115 -13.670 -14.755 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -16.717 -13.535 -14.022 1.00 0.00 H new ATOM 1707 N ALA A 116 -10.852 -12.936 -7.769 1.00 0.00 N ATOM 1708 CA ALA A 116 -10.810 -12.456 -6.394 1.00 0.00 C ATOM 1709 C ALA A 116 -9.698 -11.430 -6.204 1.00 0.00 C ATOM 1710 O ALA A 116 -9.893 -10.401 -5.557 1.00 0.00 O ATOM 1711 CB ALA A 116 -10.626 -13.621 -5.433 1.00 0.00 C ATOM 0 H ALA A 116 -10.936 -13.949 -7.860 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.760 -11.967 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.596 -13.247 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.458 -14.317 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.692 -14.135 -5.659 1.00 0.00 H new ATOM 1717 N ALA A 117 -8.531 -11.718 -6.771 1.00 0.00 N ATOM 1718 CA ALA A 117 -7.388 -10.819 -6.665 1.00 0.00 C ATOM 1719 C ALA A 117 -7.680 -9.478 -7.330 1.00 0.00 C ATOM 1720 O ALA A 117 -7.538 -8.424 -6.711 1.00 0.00 O ATOM 1721 CB ALA A 117 -6.154 -11.460 -7.284 1.00 0.00 C ATOM 0 H ALA A 117 -8.352 -12.566 -7.308 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.198 -10.636 -5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.308 -10.778 -7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.926 -12.389 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.343 -11.672 -8.336 1.00 0.00 H new ATOM 1727 N GLN A 118 -8.089 -9.526 -8.594 1.00 0.00 N ATOM 1728 CA GLN A 118 -8.398 -8.314 -9.342 1.00 0.00 C ATOM 1729 C GLN A 118 -9.371 -7.430 -8.569 1.00 0.00 C ATOM 1730 O GLN A 118 -9.046 -6.299 -8.206 1.00 0.00 O ATOM 1731 CB GLN A 118 -8.990 -8.669 -10.708 1.00 0.00 C ATOM 1732 CG GLN A 118 -8.082 -9.550 -11.553 1.00 0.00 C ATOM 1733 CD GLN A 118 -7.106 -8.748 -12.391 1.00 0.00 C ATOM 1734 OE1 GLN A 118 -6.004 -8.429 -11.945 1.00 0.00 O ATOM 1735 NE2 GLN A 118 -7.508 -8.415 -13.612 1.00 0.00 N ATOM 0 H GLN A 118 -8.214 -10.391 -9.121 1.00 0.00 H new ATOM 0 HA GLN A 118 -7.470 -7.761 -9.488 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -9.943 -9.178 -10.561 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -9.201 -7.749 -11.254 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -7.527 -10.224 -10.901 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.692 -10.171 -12.208 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.430 -8.701 -13.941 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.895 -7.873 -14.221 1.00 0.00 H new ATOM 1744 N LEU A 119 -10.567 -7.953 -8.319 1.00 0.00 N ATOM 1745 CA LEU A 119 -11.588 -7.212 -7.588 1.00 0.00 C ATOM 1746 C LEU A 119 -10.964 -6.375 -6.477 1.00 0.00 C ATOM 1747 O LEU A 119 -11.334 -5.219 -6.273 1.00 0.00 O ATOM 1748 CB LEU A 119 -12.621 -8.174 -6.998 1.00 0.00 C ATOM 1749 CG LEU A 119 -13.321 -9.101 -7.994 1.00 0.00 C ATOM 1750 CD1 LEU A 119 -14.172 -10.126 -7.261 1.00 0.00 C ATOM 1751 CD2 LEU A 119 -14.171 -8.295 -8.965 1.00 0.00 C ATOM 0 H LEU A 119 -10.853 -8.887 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 119 -12.084 -6.540 -8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -12.127 -8.789 -6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.381 -7.587 -6.482 1.00 0.00 H new ATOM 0 HG LEU A 119 -12.559 -9.633 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -14.662 -10.777 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -13.538 -10.724 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -14.927 -9.613 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -14.662 -8.970 -9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -14.925 -7.736 -8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -13.536 -7.600 -9.514 1.00 0.00 H new ATOM 1763 N TYR A 120 -10.014 -6.966 -5.761 1.00 0.00 N ATOM 1764 CA TYR A 120 -9.336 -6.277 -4.670 1.00 0.00 C ATOM 1765 C TYR A 120 -8.669 -4.997 -5.165 1.00 0.00 C ATOM 1766 O TYR A 120 -9.034 -3.894 -4.757 1.00 0.00 O ATOM 1767 CB TYR A 120 -8.294 -7.192 -4.027 1.00 0.00 C ATOM 1768 CG TYR A 120 -7.661 -6.611 -2.784 1.00 0.00 C ATOM 1769 CD1 TYR A 120 -6.703 -5.609 -2.871 1.00 0.00 C ATOM 1770 CD2 TYR A 120 -8.022 -7.064 -1.519 1.00 0.00 C ATOM 1771 CE1 TYR A 120 -6.121 -5.075 -1.738 1.00 0.00 C ATOM 1772 CE2 TYR A 120 -7.447 -6.534 -0.380 1.00 0.00 C ATOM 1773 CZ TYR A 120 -6.496 -5.540 -0.495 1.00 0.00 C ATOM 1774 OH TYR A 120 -5.921 -5.011 0.637 1.00 0.00 O ATOM 0 H TYR A 120 -9.696 -7.922 -5.917 1.00 0.00 H new ATOM 0 HA TYR A 120 -10.084 -6.011 -3.923 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -8.764 -8.142 -3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -7.512 -7.407 -4.756 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -6.408 -5.241 -3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -8.764 -7.843 -1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -5.376 -4.298 -1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -7.740 -6.895 0.595 1.00 0.00 H new ATOM 0 HH TYR A 120 -4.998 -4.747 0.442 1.00 0.00 H new ATOM 1784 N ARG A 121 -7.688 -5.153 -6.049 1.00 0.00 N ATOM 1785 CA ARG A 121 -6.967 -4.012 -6.600 1.00 0.00 C ATOM 1786 C ARG A 121 -7.908 -2.831 -6.821 1.00 0.00 C ATOM 1787 O ARG A 121 -7.745 -1.774 -6.211 1.00 0.00 O ATOM 1788 CB ARG A 121 -6.295 -4.396 -7.919 1.00 0.00 C ATOM 1789 CG ARG A 121 -5.482 -5.677 -7.838 1.00 0.00 C ATOM 1790 CD ARG A 121 -4.747 -5.954 -9.141 1.00 0.00 C ATOM 1791 NE ARG A 121 -5.552 -5.606 -10.309 1.00 0.00 N ATOM 1792 CZ ARG A 121 -5.483 -4.431 -10.925 1.00 0.00 C ATOM 1793 NH1 ARG A 121 -4.650 -3.498 -10.488 1.00 0.00 N ATOM 1794 NH2 ARG A 121 -6.249 -4.189 -11.981 1.00 0.00 N ATOM 0 H ARG A 121 -7.375 -6.059 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.201 -3.716 -5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -7.060 -4.509 -8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.643 -3.582 -8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.763 -5.602 -7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.141 -6.514 -7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.817 -5.386 -9.160 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.478 -7.009 -9.188 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.203 -6.303 -10.671 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.060 -3.681 -9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.599 -2.597 -10.963 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.891 -4.905 -12.320 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -6.196 -3.287 -12.454 1.00 0.00 H new ATOM 1808 N GLU A 122 -8.890 -3.019 -7.696 1.00 0.00 N ATOM 1809 CA GLU A 122 -9.855 -1.967 -7.997 1.00 0.00 C ATOM 1810 C GLU A 122 -10.336 -1.288 -6.719 1.00 0.00 C ATOM 1811 O GLU A 122 -10.303 -0.062 -6.604 1.00 0.00 O ATOM 1812 CB GLU A 122 -11.049 -2.544 -8.762 1.00 0.00 C ATOM 1813 CG GLU A 122 -10.720 -2.948 -10.190 1.00 0.00 C ATOM 1814 CD GLU A 122 -11.912 -2.823 -11.119 1.00 0.00 C ATOM 1815 OE1 GLU A 122 -12.818 -3.678 -11.039 1.00 0.00 O ATOM 1816 OE2 GLU A 122 -11.937 -1.871 -11.928 1.00 0.00 O ATOM 0 H GLU A 122 -9.039 -3.888 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 122 -9.359 -1.222 -8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -11.427 -3.414 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -11.851 -1.806 -8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.907 -2.325 -10.562 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.363 -3.978 -10.200 1.00 0.00 H new ATOM 1823 N LYS A 123 -10.784 -2.092 -5.761 1.00 0.00 N ATOM 1824 CA LYS A 123 -11.271 -1.570 -4.490 1.00 0.00 C ATOM 1825 C LYS A 123 -10.281 -0.576 -3.894 1.00 0.00 C ATOM 1826 O LYS A 123 -10.646 0.550 -3.553 1.00 0.00 O ATOM 1827 CB LYS A 123 -11.516 -2.716 -3.505 1.00 0.00 C ATOM 1828 CG LYS A 123 -12.013 -2.254 -2.147 1.00 0.00 C ATOM 1829 CD LYS A 123 -12.883 -3.310 -1.483 1.00 0.00 C ATOM 1830 CE LYS A 123 -14.316 -3.250 -1.990 1.00 0.00 C ATOM 1831 NZ LYS A 123 -15.133 -4.383 -1.476 1.00 0.00 N ATOM 0 H LYS A 123 -10.820 -3.108 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 123 -12.211 -1.051 -4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.244 -3.404 -3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.589 -3.275 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -11.162 -2.026 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.582 -1.331 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -12.468 -4.299 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -12.872 -3.166 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -14.770 -2.307 -1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -14.317 -3.267 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -16.131 -4.094 -1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -15.043 -5.196 -2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -14.797 -4.652 -0.529 1.00 0.00 H new ATOM 1845 N ILE A 124 -9.026 -0.997 -3.771 1.00 0.00 N ATOM 1846 CA ILE A 124 -7.984 -0.142 -3.219 1.00 0.00 C ATOM 1847 C ILE A 124 -7.984 1.227 -3.889 1.00 0.00 C ATOM 1848 O ILE A 124 -7.850 2.256 -3.225 1.00 0.00 O ATOM 1849 CB ILE A 124 -6.590 -0.779 -3.378 1.00 0.00 C ATOM 1850 CG1 ILE A 124 -6.518 -2.098 -2.607 1.00 0.00 C ATOM 1851 CG2 ILE A 124 -5.512 0.180 -2.899 1.00 0.00 C ATOM 1852 CD1 ILE A 124 -6.822 -1.954 -1.132 1.00 0.00 C ATOM 0 H ILE A 124 -8.707 -1.926 -4.047 1.00 0.00 H new ATOM 0 HA ILE A 124 -8.202 -0.024 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 124 -6.420 -0.987 -4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.221 -2.805 -3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.522 -2.524 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.533 -0.284 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -5.553 1.097 -3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.676 0.416 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.752 -2.929 -0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -6.104 -1.272 -0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -7.829 -1.558 -1.005 1.00 0.00 H new ATOM 1864 N LYS A 125 -8.137 1.234 -5.209 1.00 0.00 N ATOM 1865 CA LYS A 125 -8.158 2.477 -5.971 1.00 0.00 C ATOM 1866 C LYS A 125 -9.351 3.339 -5.572 1.00 0.00 C ATOM 1867 O LYS A 125 -9.214 4.542 -5.353 1.00 0.00 O ATOM 1868 CB LYS A 125 -8.209 2.179 -7.471 1.00 0.00 C ATOM 1869 CG LYS A 125 -8.526 3.396 -8.322 1.00 0.00 C ATOM 1870 CD LYS A 125 -9.195 3.003 -9.630 1.00 0.00 C ATOM 1871 CE LYS A 125 -10.177 4.068 -10.094 1.00 0.00 C ATOM 1872 NZ LYS A 125 -10.311 4.087 -11.578 1.00 0.00 N ATOM 0 H LYS A 125 -8.248 0.392 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 125 -7.244 3.027 -5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -7.250 1.767 -7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -8.961 1.411 -7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -9.178 4.070 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -7.607 3.944 -8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -8.436 2.848 -10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -9.718 2.055 -9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -11.152 3.885 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -9.844 5.046 -9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -10.988 4.825 -11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -9.385 4.287 -12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -10.653 3.162 -11.908 1.00 0.00 H new ATOM 1886 N SER A 126 -10.522 2.716 -5.480 1.00 0.00 N ATOM 1887 CA SER A 126 -11.740 3.427 -5.110 1.00 0.00 C ATOM 1888 C SER A 126 -11.589 4.087 -3.743 1.00 0.00 C ATOM 1889 O SER A 126 -11.854 5.280 -3.583 1.00 0.00 O ATOM 1890 CB SER A 126 -12.931 2.468 -5.097 1.00 0.00 C ATOM 1891 OG SER A 126 -14.155 3.175 -5.202 1.00 0.00 O ATOM 0 H SER A 126 -10.653 1.720 -5.657 1.00 0.00 H new ATOM 0 HA SER A 126 -11.917 4.205 -5.852 1.00 0.00 H new ATOM 0 HB2 SER A 126 -12.843 1.762 -5.923 1.00 0.00 H new ATOM 0 HB3 SER A 126 -12.922 1.884 -4.177 1.00 0.00 H new ATOM 0 HG SER A 126 -14.901 2.540 -5.193 1.00 0.00 H new ATOM 1897 N LEU A 127 -11.162 3.303 -2.759 1.00 0.00 N ATOM 1898 CA LEU A 127 -10.976 3.810 -1.404 1.00 0.00 C ATOM 1899 C LEU A 127 -9.843 4.831 -1.355 1.00 0.00 C ATOM 1900 O LEU A 127 -10.028 5.957 -0.897 1.00 0.00 O ATOM 1901 CB LEU A 127 -10.681 2.657 -0.443 1.00 0.00 C ATOM 1902 CG LEU A 127 -11.732 1.548 -0.383 1.00 0.00 C ATOM 1903 CD1 LEU A 127 -11.144 0.288 0.233 1.00 0.00 C ATOM 1904 CD2 LEU A 127 -12.951 2.008 0.404 1.00 0.00 C ATOM 0 H LEU A 127 -10.938 2.315 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 127 -11.898 4.303 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -9.727 2.211 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -10.558 3.068 0.559 1.00 0.00 H new ATOM 0 HG LEU A 127 -12.047 1.319 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -11.906 -0.490 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -10.303 -0.054 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -10.800 0.504 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -13.688 1.205 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -12.652 2.266 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -13.387 2.882 -0.079 1.00 0.00 H new ATOM 1916 N ALA A 128 -8.670 4.427 -1.831 1.00 0.00 N ATOM 1917 CA ALA A 128 -7.508 5.308 -1.846 1.00 0.00 C ATOM 1918 C ALA A 128 -7.899 6.727 -2.240 1.00 0.00 C ATOM 1919 O ALA A 128 -7.407 7.699 -1.667 1.00 0.00 O ATOM 1920 CB ALA A 128 -6.449 4.768 -2.796 1.00 0.00 C ATOM 0 H ALA A 128 -8.499 3.496 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 128 -7.095 5.340 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.587 5.435 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -6.139 3.776 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -6.861 4.706 -3.803 1.00 0.00 H new ATOM 1926 N SER A 129 -8.789 6.840 -3.221 1.00 0.00 N ATOM 1927 CA SER A 129 -9.244 8.143 -3.694 1.00 0.00 C ATOM 1928 C SER A 129 -9.883 8.940 -2.561 1.00 0.00 C ATOM 1929 O SER A 129 -9.694 10.152 -2.458 1.00 0.00 O ATOM 1930 CB SER A 129 -10.244 7.972 -4.839 1.00 0.00 C ATOM 1931 OG SER A 129 -10.894 9.195 -5.136 1.00 0.00 O ATOM 0 H SER A 129 -9.209 6.046 -3.704 1.00 0.00 H new ATOM 0 HA SER A 129 -8.376 8.693 -4.057 1.00 0.00 H new ATOM 0 HB2 SER A 129 -9.727 7.607 -5.726 1.00 0.00 H new ATOM 0 HB3 SER A 129 -10.985 7.219 -4.570 1.00 0.00 H new ATOM 0 HG SER A 129 -11.527 9.059 -5.872 1.00 0.00 H new ATOM 1937 N GLN A 130 -10.640 8.250 -1.714 1.00 0.00 N ATOM 1938 CA GLN A 130 -11.307 8.893 -0.590 1.00 0.00 C ATOM 1939 C GLN A 130 -10.295 9.557 0.337 1.00 0.00 C ATOM 1940 O GLN A 130 -10.342 10.766 0.559 1.00 0.00 O ATOM 1941 CB GLN A 130 -12.138 7.872 0.191 1.00 0.00 C ATOM 1942 CG GLN A 130 -13.295 7.291 -0.607 1.00 0.00 C ATOM 1943 CD GLN A 130 -14.054 6.225 0.158 1.00 0.00 C ATOM 1944 OE1 GLN A 130 -13.912 5.032 -0.111 1.00 0.00 O ATOM 1945 NE2 GLN A 130 -14.866 6.650 1.119 1.00 0.00 N ATOM 0 H GLN A 130 -10.806 7.246 -1.785 1.00 0.00 H new ATOM 0 HA GLN A 130 -11.969 9.663 -0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -11.488 7.060 0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.530 8.347 1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -13.980 8.093 -0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -12.914 6.865 -1.535 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -14.953 7.648 1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -15.402 5.978 1.668 1.00 0.00 H new ATOM 1954 N ALA A 131 -9.380 8.758 0.876 1.00 0.00 N ATOM 1955 CA ALA A 131 -8.354 9.268 1.778 1.00 0.00 C ATOM 1956 C ALA A 131 -7.468 10.292 1.077 1.00 0.00 C ATOM 1957 O ALA A 131 -6.898 11.177 1.716 1.00 0.00 O ATOM 1958 CB ALA A 131 -7.515 8.123 2.323 1.00 0.00 C ATOM 0 H ALA A 131 -9.328 7.754 0.704 1.00 0.00 H new ATOM 0 HA ALA A 131 -8.850 9.767 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -6.753 8.518 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -8.156 7.430 2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -7.034 7.599 1.497 1.00 0.00 H new ATOM 1964 N THR A 132 -7.354 10.165 -0.241 1.00 0.00 N ATOM 1965 CA THR A 132 -6.534 11.076 -1.029 1.00 0.00 C ATOM 1966 C THR A 132 -7.193 12.446 -1.146 1.00 0.00 C ATOM 1967 O THR A 132 -6.632 13.454 -0.715 1.00 0.00 O ATOM 1968 CB THR A 132 -6.276 10.522 -2.443 1.00 0.00 C ATOM 1969 OG1 THR A 132 -5.595 9.265 -2.359 1.00 0.00 O ATOM 1970 CG2 THR A 132 -5.449 11.498 -3.265 1.00 0.00 C ATOM 0 H THR A 132 -7.820 9.439 -0.786 1.00 0.00 H new ATOM 0 HA THR A 132 -5.582 11.175 -0.507 1.00 0.00 H new ATOM 0 HB THR A 132 -7.238 10.382 -2.936 1.00 0.00 H new ATOM 0 HG1 THR A 132 -6.231 8.537 -2.518 1.00 0.00 H new ATOM 0 HG21 THR A 132 -5.280 11.084 -4.259 1.00 0.00 H new ATOM 0 HG22 THR A 132 -5.983 12.444 -3.352 1.00 0.00 H new ATOM 0 HG23 THR A 132 -4.490 11.666 -2.774 1.00 0.00 H new ATOM 1978 N ARG A 133 -8.387 12.476 -1.729 1.00 0.00 N ATOM 1979 CA ARG A 133 -9.121 13.723 -1.903 1.00 0.00 C ATOM 1980 C ARG A 133 -9.335 14.419 -0.561 1.00 0.00 C ATOM 1981 O ARG A 133 -9.343 15.648 -0.481 1.00 0.00 O ATOM 1982 CB ARG A 133 -10.472 13.456 -2.571 1.00 0.00 C ATOM 1983 CG ARG A 133 -11.523 12.906 -1.621 1.00 0.00 C ATOM 1984 CD ARG A 133 -12.535 12.039 -2.353 1.00 0.00 C ATOM 1985 NE ARG A 133 -13.826 12.008 -1.670 1.00 0.00 N ATOM 1986 CZ ARG A 133 -14.759 12.941 -1.817 1.00 0.00 C ATOM 1987 NH1 ARG A 133 -14.546 13.974 -2.621 1.00 0.00 N ATOM 1988 NH2 ARG A 133 -15.907 12.843 -1.160 1.00 0.00 N ATOM 0 H ARG A 133 -8.866 11.651 -2.089 1.00 0.00 H new ATOM 0 HA ARG A 133 -8.529 14.377 -2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -10.841 14.383 -3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -10.330 12.751 -3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.038 12.321 -0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -12.038 13.731 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -12.670 12.417 -3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -12.147 11.024 -2.440 1.00 0.00 H new ATOM 0 HE ARG A 133 -14.022 11.226 -1.045 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -13.664 14.053 -3.128 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -15.264 14.690 -2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -16.074 12.050 -0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -16.623 13.561 -1.274 1.00 0.00 H new ATOM 2002 N LYS A 134 -9.509 13.625 0.490 1.00 0.00 N ATOM 2003 CA LYS A 134 -9.723 14.163 1.828 1.00 0.00 C ATOM 2004 C LYS A 134 -8.596 15.115 2.218 1.00 0.00 C ATOM 2005 O LYS A 134 -7.543 14.686 2.690 1.00 0.00 O ATOM 2006 CB LYS A 134 -9.820 13.027 2.848 1.00 0.00 C ATOM 2007 CG LYS A 134 -10.723 13.342 4.027 1.00 0.00 C ATOM 2008 CD LYS A 134 -11.385 12.089 4.575 1.00 0.00 C ATOM 2009 CE LYS A 134 -10.541 11.443 5.662 1.00 0.00 C ATOM 2010 NZ LYS A 134 -10.769 12.076 6.991 1.00 0.00 N ATOM 0 H LYS A 134 -9.506 12.606 0.441 1.00 0.00 H new ATOM 0 HA LYS A 134 -10.660 14.719 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -10.189 12.132 2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -8.821 12.796 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -10.141 13.821 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -11.489 14.054 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -12.367 12.341 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -11.545 11.377 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -10.776 10.380 5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -9.486 11.522 5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -10.446 11.433 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -10.237 12.968 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -11.783 12.269 7.114 1.00 0.00 H new ATOM 2024 N HIS A 135 -8.825 16.409 2.018 1.00 0.00 N ATOM 2025 CA HIS A 135 -7.829 17.422 2.351 1.00 0.00 C ATOM 2026 C HIS A 135 -6.578 17.256 1.494 1.00 0.00 C ATOM 2027 O HIS A 135 -5.456 17.334 1.993 1.00 0.00 O ATOM 2028 CB HIS A 135 -7.461 17.337 3.833 1.00 0.00 C ATOM 2029 CG HIS A 135 -8.641 17.425 4.749 1.00 0.00 C ATOM 2030 ND1 HIS A 135 -9.318 18.601 4.995 1.00 0.00 N ATOM 2031 CD2 HIS A 135 -9.267 16.472 5.480 1.00 0.00 C ATOM 2032 CE1 HIS A 135 -10.308 18.368 5.839 1.00 0.00 C ATOM 2033 NE2 HIS A 135 -10.299 17.085 6.149 1.00 0.00 N ATOM 0 H HIS A 135 -9.691 16.781 1.627 1.00 0.00 H new ATOM 0 HA HIS A 135 -8.260 18.402 2.147 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.939 16.398 4.016 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -6.765 18.141 4.073 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -9.004 15.426 5.528 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -11.006 19.103 6.212 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -10.952 16.624 6.782 1.00 0.00 H new ATOM 2041 N GLY A 136 -6.780 17.026 0.199 1.00 0.00 N ATOM 2042 CA GLY A 136 -5.659 16.852 -0.707 1.00 0.00 C ATOM 2043 C GLY A 136 -4.448 16.249 -0.022 1.00 0.00 C ATOM 2044 O GLY A 136 -4.550 15.216 0.641 1.00 0.00 O ATOM 0 H GLY A 136 -7.699 16.957 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -5.961 16.211 -1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -5.388 17.817 -1.134 1.00 0.00 H new ATOM 2048 N THR A 137 -3.297 16.894 -0.182 1.00 0.00 N ATOM 2049 CA THR A 137 -2.062 16.413 0.422 1.00 0.00 C ATOM 2050 C THR A 137 -2.165 16.391 1.943 1.00 0.00 C ATOM 2051 O THR A 137 -1.747 15.431 2.590 1.00 0.00 O ATOM 2052 CB THR A 137 -0.859 17.286 0.015 1.00 0.00 C ATOM 2053 OG1 THR A 137 -1.038 18.622 0.498 1.00 0.00 O ATOM 2054 CG2 THR A 137 -0.694 17.307 -1.498 1.00 0.00 C ATOM 0 H THR A 137 -3.195 17.751 -0.725 1.00 0.00 H new ATOM 0 HA THR A 137 -1.907 15.398 0.055 1.00 0.00 H new ATOM 0 HB THR A 137 0.040 16.857 0.458 1.00 0.00 H new ATOM 0 HG1 THR A 137 -0.269 19.170 0.237 1.00 0.00 H new ATOM 0 HG21 THR A 137 0.161 17.929 -1.762 1.00 0.00 H new ATOM 0 HG22 THR A 137 -0.530 16.292 -1.860 1.00 0.00 H new ATOM 0 HG23 THR A 137 -1.595 17.715 -1.957 1.00 0.00 H new ATOM 2062 N ASP A 138 -2.727 17.455 2.509 1.00 0.00 N ATOM 2063 CA ASP A 138 -2.887 17.556 3.954 1.00 0.00 C ATOM 2064 C ASP A 138 -3.327 16.221 4.547 1.00 0.00 C ATOM 2065 O ASP A 138 -4.450 15.769 4.320 1.00 0.00 O ATOM 2066 CB ASP A 138 -3.907 18.643 4.300 1.00 0.00 C ATOM 2067 CG ASP A 138 -3.377 20.038 4.039 1.00 0.00 C ATOM 2068 OD1 ASP A 138 -3.165 20.380 2.857 1.00 0.00 O ATOM 2069 OD2 ASP A 138 -3.174 20.789 5.017 1.00 0.00 O ATOM 0 H ASP A 138 -3.079 18.259 1.988 1.00 0.00 H new ATOM 0 HA ASP A 138 -1.922 17.823 4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -4.813 18.486 3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -4.186 18.554 5.350 1.00 0.00 H new ATOM 2074 N LEU A 139 -2.435 15.594 5.305 1.00 0.00 N ATOM 2075 CA LEU A 139 -2.730 14.310 5.931 1.00 0.00 C ATOM 2076 C LEU A 139 -4.045 14.368 6.702 1.00 0.00 C ATOM 2077 O LEU A 139 -4.115 14.948 7.785 1.00 0.00 O ATOM 2078 CB LEU A 139 -1.593 13.904 6.870 1.00 0.00 C ATOM 2079 CG LEU A 139 -0.379 13.248 6.210 1.00 0.00 C ATOM 2080 CD1 LEU A 139 0.854 13.407 7.086 1.00 0.00 C ATOM 2081 CD2 LEU A 139 -0.653 11.777 5.932 1.00 0.00 C ATOM 0 H LEU A 139 -1.501 15.954 5.501 1.00 0.00 H new ATOM 0 HA LEU A 139 -2.826 13.564 5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -1.255 14.792 7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.992 13.216 7.615 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.191 13.747 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.708 12.934 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.061 14.467 7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.678 12.934 8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 139 0.221 11.326 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.867 11.263 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.510 11.686 5.265 1.00 0.00 H new ATOM 2093 N TRP A 140 -5.084 13.763 6.136 1.00 0.00 N ATOM 2094 CA TRP A 140 -6.396 13.745 6.773 1.00 0.00 C ATOM 2095 C TRP A 140 -6.265 13.646 8.288 1.00 0.00 C ATOM 2096 O TRP A 140 -6.988 14.316 9.029 1.00 0.00 O ATOM 2097 CB TRP A 140 -7.226 12.575 6.242 1.00 0.00 C ATOM 2098 CG TRP A 140 -6.918 11.273 6.919 1.00 0.00 C ATOM 2099 CD1 TRP A 140 -7.682 10.633 7.851 1.00 0.00 C ATOM 2100 CD2 TRP A 140 -5.760 10.455 6.716 1.00 0.00 C ATOM 2101 NE1 TRP A 140 -7.070 9.466 8.241 1.00 0.00 N ATOM 2102 CE2 TRP A 140 -5.890 9.333 7.559 1.00 0.00 C ATOM 2103 CE3 TRP A 140 -4.628 10.560 5.904 1.00 0.00 C ATOM 2104 CZ2 TRP A 140 -4.930 8.327 7.611 1.00 0.00 C ATOM 2105 CZ3 TRP A 140 -3.675 9.560 5.957 1.00 0.00 C ATOM 2106 CH2 TRP A 140 -3.831 8.455 6.805 1.00 0.00 C ATOM 0 H TRP A 140 -5.043 13.279 5.239 1.00 0.00 H new ATOM 0 HA TRP A 140 -6.902 14.680 6.533 1.00 0.00 H new ATOM 0 HB2 TRP A 140 -8.284 12.802 6.370 1.00 0.00 H new ATOM 0 HB3 TRP A 140 -7.050 12.470 5.171 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -8.629 10.991 8.227 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -7.435 8.806 8.927 1.00 0.00 H new ATOM 0 HE3 TRP A 140 -4.500 11.407 5.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -5.048 7.475 8.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 -2.795 9.631 5.334 1.00 0.00 H new ATOM 0 HH2 TRP A 140 -3.069 7.690 6.823 1.00 0.00 H new ATOM 2117 N LEU A 141 -5.341 12.808 8.745 1.00 0.00 N ATOM 2118 CA LEU A 141 -5.115 12.622 10.173 1.00 0.00 C ATOM 2119 C LEU A 141 -5.296 13.935 10.929 1.00 0.00 C ATOM 2120 O LEU A 141 -4.774 14.973 10.521 1.00 0.00 O ATOM 2121 CB LEU A 141 -3.712 12.066 10.421 1.00 0.00 C ATOM 2122 CG LEU A 141 -3.455 10.645 9.919 1.00 0.00 C ATOM 2123 CD1 LEU A 141 -1.995 10.473 9.529 1.00 0.00 C ATOM 2124 CD2 LEU A 141 -3.850 9.625 10.977 1.00 0.00 C ATOM 0 H LEU A 141 -4.736 12.246 8.146 1.00 0.00 H new ATOM 0 HA LEU A 141 -5.851 11.908 10.541 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -2.990 12.733 9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -3.517 12.092 11.493 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.069 10.476 9.034 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -1.831 9.456 9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -1.744 11.179 8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.362 10.661 10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.660 8.619 10.602 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -3.263 9.792 11.880 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.910 9.732 11.208 1.00 0.00 H new ATOM 2136 N ASP A 142 -6.033 13.881 12.032 1.00 0.00 N ATOM 2137 CA ASP A 142 -6.279 15.066 12.846 1.00 0.00 C ATOM 2138 C ASP A 142 -4.984 15.832 13.095 1.00 0.00 C ATOM 2139 O ASP A 142 -4.910 17.038 12.863 1.00 0.00 O ATOM 2140 CB ASP A 142 -6.918 14.671 14.179 1.00 0.00 C ATOM 2141 CG ASP A 142 -5.966 13.897 15.070 1.00 0.00 C ATOM 2142 OD1 ASP A 142 -5.776 12.687 14.824 1.00 0.00 O ATOM 2143 OD2 ASP A 142 -5.413 14.500 16.013 1.00 0.00 O ATOM 0 H ASP A 142 -6.471 13.029 12.384 1.00 0.00 H new ATOM 0 HA ASP A 142 -6.965 15.715 12.302 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -7.250 15.569 14.700 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -7.805 14.067 13.989 1.00 0.00 H new ATOM 2148 N SER A 143 -3.965 15.122 13.572 1.00 0.00 N ATOM 2149 CA SER A 143 -2.675 15.737 13.858 1.00 0.00 C ATOM 2150 C SER A 143 -2.104 16.408 12.612 1.00 0.00 C ATOM 2151 O SER A 143 -1.754 15.740 11.639 1.00 0.00 O ATOM 2152 CB SER A 143 -1.691 14.688 14.381 1.00 0.00 C ATOM 2153 OG SER A 143 -0.479 15.288 14.800 1.00 0.00 O ATOM 0 H SER A 143 -4.009 14.122 13.768 1.00 0.00 H new ATOM 0 HA SER A 143 -2.826 16.498 14.623 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.140 14.148 15.215 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.487 13.956 13.600 1.00 0.00 H new ATOM 0 HG SER A 143 0.131 14.596 15.131 1.00 0.00 H new ATOM 2159 N SER A 144 -2.014 17.734 12.650 1.00 0.00 N ATOM 2160 CA SER A 144 -1.490 18.497 11.524 1.00 0.00 C ATOM 2161 C SER A 144 -0.884 19.814 11.996 1.00 0.00 C ATOM 2162 O SER A 144 -1.568 20.649 12.588 1.00 0.00 O ATOM 2163 CB SER A 144 -2.598 18.768 10.505 1.00 0.00 C ATOM 2164 OG SER A 144 -2.850 17.624 9.708 1.00 0.00 O ATOM 0 H SER A 144 -2.297 18.302 13.449 1.00 0.00 H new ATOM 0 HA SER A 144 -0.707 17.906 11.049 1.00 0.00 H new ATOM 0 HB2 SER A 144 -3.510 19.061 11.025 1.00 0.00 H new ATOM 0 HB3 SER A 144 -2.312 19.604 9.866 1.00 0.00 H new ATOM 0 HG SER A 144 -2.445 16.837 10.129 1.00 0.00 H new ATOM 2170 N GLY A 145 0.406 19.995 11.730 1.00 0.00 N ATOM 2171 CA GLY A 145 1.084 21.213 12.133 1.00 0.00 C ATOM 2172 C GLY A 145 1.572 22.025 10.949 1.00 0.00 C ATOM 2173 O GLY A 145 1.662 21.531 9.825 1.00 0.00 O ATOM 0 H GLY A 145 0.994 19.319 11.242 1.00 0.00 H new ATOM 0 HA2 GLY A 145 0.406 21.821 12.732 1.00 0.00 H new ATOM 0 HA3 GLY A 145 1.932 20.960 12.770 1.00 0.00 H new ATOM 2177 N PRO A 146 1.897 23.302 11.197 1.00 0.00 N ATOM 2178 CA PRO A 146 2.382 24.212 10.155 1.00 0.00 C ATOM 2179 C PRO A 146 3.782 23.847 9.674 1.00 0.00 C ATOM 2180 O PRO A 146 4.351 24.524 8.817 1.00 0.00 O ATOM 2181 CB PRO A 146 2.394 25.575 10.851 1.00 0.00 C ATOM 2182 CG PRO A 146 2.537 25.259 12.301 1.00 0.00 C ATOM 2183 CD PRO A 146 1.815 23.957 12.513 1.00 0.00 C ATOM 0 HA PRO A 146 1.757 24.180 9.263 1.00 0.00 H new ATOM 0 HB2 PRO A 146 3.219 26.193 10.497 1.00 0.00 H new ATOM 0 HB3 PRO A 146 1.475 26.128 10.655 1.00 0.00 H new ATOM 0 HG2 PRO A 146 3.587 25.173 12.580 1.00 0.00 H new ATOM 0 HG3 PRO A 146 2.107 26.049 12.917 1.00 0.00 H new ATOM 0 HD2 PRO A 146 2.288 23.357 13.290 1.00 0.00 H new ATOM 0 HD3 PRO A 146 0.781 24.116 12.819 1.00 0.00 H new ATOM 2191 N SER A 147 4.333 22.773 10.230 1.00 0.00 N ATOM 2192 CA SER A 147 5.669 22.320 9.859 1.00 0.00 C ATOM 2193 C SER A 147 5.595 21.148 8.884 1.00 0.00 C ATOM 2194 O SER A 147 6.315 20.161 9.027 1.00 0.00 O ATOM 2195 CB SER A 147 6.456 21.912 11.106 1.00 0.00 C ATOM 2196 OG SER A 147 7.851 21.943 10.861 1.00 0.00 O ATOM 0 H SER A 147 3.875 22.200 10.939 1.00 0.00 H new ATOM 0 HA SER A 147 6.183 23.146 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 147 6.213 22.584 11.929 1.00 0.00 H new ATOM 0 HB3 SER A 147 6.160 20.909 11.415 1.00 0.00 H new ATOM 0 HG SER A 147 8.068 21.328 10.130 1.00 0.00 H new ATOM 2202 N SER A 148 4.717 21.267 7.893 1.00 0.00 N ATOM 2203 CA SER A 148 4.545 20.217 6.895 1.00 0.00 C ATOM 2204 C SER A 148 5.314 20.547 5.621 1.00 0.00 C ATOM 2205 O SER A 148 4.752 21.075 4.662 1.00 0.00 O ATOM 2206 CB SER A 148 3.061 20.028 6.575 1.00 0.00 C ATOM 2207 OG SER A 148 2.362 19.496 7.687 1.00 0.00 O ATOM 0 H SER A 148 4.114 22.079 7.760 1.00 0.00 H new ATOM 0 HA SER A 148 4.942 19.289 7.307 1.00 0.00 H new ATOM 0 HB2 SER A 148 2.623 20.984 6.290 1.00 0.00 H new ATOM 0 HB3 SER A 148 2.952 19.360 5.720 1.00 0.00 H new ATOM 0 HG SER A 148 2.176 20.212 8.329 1.00 0.00 H new ATOM 2213 N GLY A 149 6.606 20.231 5.617 1.00 0.00 N ATOM 2214 CA GLY A 149 7.433 20.501 4.456 1.00 0.00 C ATOM 2215 C GLY A 149 8.915 20.411 4.766 1.00 0.00 C ATOM 2216 O GLY A 149 9.274 20.258 5.932 1.00 0.00 O ATOM 0 H GLY A 149 7.094 19.793 6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 149 7.187 19.792 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 149 7.205 21.496 4.074 1.00 0.00 H new TER 2220 GLY A 149 HETATM 2221 ZN ZN A 401 7.249 -13.019 2.180 1.00 0.00 ZN