USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 983 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 13 THR OG1 : rot 13:sc= 0.787 USER MOD Set 1.2: A 15 SER OG : rot 180:sc= 0.102 USER MOD Set 1.3: A 16 THR OG1 : rot 180:sc= 0.697 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.159 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.000372 USER MOD Single : A 6 SER OG : rot -130:sc= 0 USER MOD Single : A 8 MET CE :methyl 175:sc= 0 (180deg=-0.0551) USER MOD Single : A 9 ASN : amide:sc= -0.069 X(o=-0.069,f=-0.098) USER MOD Single : A 10 LYS NZ :NH3+ -179:sc= 0.83 (180deg=0.829) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.15 K(o=-0.15,f=-0.87) USER MOD Single : A 22 ASN : amide:sc= 0.565 K(o=0.56,f=-5.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 21:sc= 0.406 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.03) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.21) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= 0.608 (180deg=-0.0789) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0.809 (180deg=0.803) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.035 K(o=-0.035,f=-3.7!) USER MOD Single : A 57 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.58) USER MOD Single : A 59 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.41) USER MOD Single : A 68 GLN : amide:sc= -0.058 K(o=-0.058,f=-2.6!) USER MOD Single : A 69 THR OG1 : rot -82:sc= 0.597 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 100:sc= 0 USER MOD Single : A 74 THR OG1 : rot 160:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.35 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 170:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.138 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 105 THR OG1 : rot 91:sc= 1.08 USER MOD Single : A 114 GLN : amide:sc= 0.149 K(o=0.15,f=-7.4!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 31:sc= 0.506 USER MOD Single : A 122 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 125 SER OG : rot -2:sc= 1.02 USER MOD Single : A 126 SER OG : rot 7:sc= 0.93 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.012 7.670 -24.006 1.00 0.00 N ATOM 2 CA GLY A 1 28.722 9.031 -23.525 1.00 0.00 C ATOM 3 C GLY A 1 29.291 9.203 -22.126 1.00 0.00 C ATOM 4 O GLY A 1 30.064 8.354 -21.683 1.00 0.00 O ATOM 0 H1 GLY A 1 29.541 7.723 -24.900 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.581 7.165 -23.297 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.120 7.159 -24.162 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.158 9.768 -24.200 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.646 9.204 -23.516 1.00 0.00 H new ATOM 8 N SER A 2 28.933 10.285 -21.424 1.00 0.00 N ATOM 9 CA SER A 2 29.378 10.513 -20.050 1.00 0.00 C ATOM 10 C SER A 2 28.901 9.385 -19.125 1.00 0.00 C ATOM 11 O SER A 2 29.610 9.042 -18.180 1.00 0.00 O ATOM 12 CB SER A 2 28.866 11.887 -19.593 1.00 0.00 C ATOM 13 OG SER A 2 29.187 12.206 -18.250 1.00 0.00 O ATOM 0 H SER A 2 28.330 11.021 -21.792 1.00 0.00 H new ATOM 0 HA SER A 2 30.467 10.509 -20.005 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.282 12.654 -20.247 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.783 11.918 -19.714 1.00 0.00 H new ATOM 0 HG SER A 2 28.832 13.093 -18.030 1.00 0.00 H new ATOM 19 N SER A 3 27.757 8.759 -19.425 1.00 0.00 N ATOM 20 CA SER A 3 27.091 7.761 -18.590 1.00 0.00 C ATOM 21 C SER A 3 26.636 8.367 -17.248 1.00 0.00 C ATOM 22 O SER A 3 26.902 9.537 -16.948 1.00 0.00 O ATOM 23 CB SER A 3 27.985 6.517 -18.414 1.00 0.00 C ATOM 24 OG SER A 3 28.691 6.189 -19.601 1.00 0.00 O ATOM 0 H SER A 3 27.252 8.944 -20.292 1.00 0.00 H new ATOM 0 HA SER A 3 26.184 7.431 -19.097 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.697 6.695 -17.608 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.369 5.669 -18.114 1.00 0.00 H new ATOM 0 HG SER A 3 29.246 5.396 -19.443 1.00 0.00 H new ATOM 30 N GLY A 4 25.926 7.592 -16.431 1.00 0.00 N ATOM 31 CA GLY A 4 25.479 8.016 -15.116 1.00 0.00 C ATOM 32 C GLY A 4 24.755 6.875 -14.421 1.00 0.00 C ATOM 33 O GLY A 4 25.387 5.857 -14.140 1.00 0.00 O ATOM 0 H GLY A 4 25.644 6.642 -16.671 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.333 8.334 -14.518 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.816 8.876 -15.208 1.00 0.00 H new ATOM 37 N SER A 5 23.448 7.031 -14.183 1.00 0.00 N ATOM 38 CA SER A 5 22.685 6.263 -13.199 1.00 0.00 C ATOM 39 C SER A 5 23.302 6.434 -11.811 1.00 0.00 C ATOM 40 O SER A 5 24.212 5.709 -11.421 1.00 0.00 O ATOM 41 CB SER A 5 22.523 4.791 -13.604 1.00 0.00 C ATOM 42 OG SER A 5 21.632 4.671 -14.698 1.00 0.00 O ATOM 0 H SER A 5 22.879 7.713 -14.684 1.00 0.00 H new ATOM 0 HA SER A 5 21.671 6.661 -13.164 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.493 4.373 -13.871 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.149 4.214 -12.758 1.00 0.00 H new ATOM 0 HG SER A 5 21.542 3.727 -14.944 1.00 0.00 H new ATOM 48 N SER A 6 22.809 7.433 -11.083 1.00 0.00 N ATOM 49 CA SER A 6 22.905 7.528 -9.639 1.00 0.00 C ATOM 50 C SER A 6 21.585 8.141 -9.169 1.00 0.00 C ATOM 51 O SER A 6 20.848 8.731 -9.971 1.00 0.00 O ATOM 52 CB SER A 6 24.129 8.356 -9.230 1.00 0.00 C ATOM 53 OG SER A 6 24.256 8.376 -7.822 1.00 0.00 O ATOM 0 H SER A 6 22.316 8.222 -11.501 1.00 0.00 H new ATOM 0 HA SER A 6 23.051 6.555 -9.170 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.029 7.934 -9.678 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.032 9.374 -9.608 1.00 0.00 H new ATOM 0 HG SER A 6 24.370 9.300 -7.517 1.00 0.00 H new ATOM 59 N GLY A 7 21.301 8.021 -7.877 1.00 0.00 N ATOM 60 CA GLY A 7 20.092 8.452 -7.210 1.00 0.00 C ATOM 61 C GLY A 7 20.544 9.206 -5.977 1.00 0.00 C ATOM 62 O GLY A 7 20.964 8.592 -5.000 1.00 0.00 O ATOM 0 H GLY A 7 21.960 7.589 -7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.493 9.090 -7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.470 7.599 -6.940 1.00 0.00 H new ATOM 66 N MET A 8 20.540 10.535 -6.023 1.00 0.00 N ATOM 67 CA MET A 8 20.786 11.327 -4.821 1.00 0.00 C ATOM 68 C MET A 8 19.616 11.137 -3.839 1.00 0.00 C ATOM 69 O MET A 8 18.570 10.599 -4.219 1.00 0.00 O ATOM 70 CB MET A 8 21.023 12.795 -5.219 1.00 0.00 C ATOM 71 CG MET A 8 22.370 12.928 -5.937 1.00 0.00 C ATOM 72 SD MET A 8 22.821 14.573 -6.547 1.00 0.00 S ATOM 73 CE MET A 8 23.050 15.426 -4.968 1.00 0.00 C ATOM 0 H MET A 8 20.371 11.081 -6.868 1.00 0.00 H new ATOM 0 HA MET A 8 21.686 10.992 -4.305 1.00 0.00 H new ATOM 0 HB2 MET A 8 20.219 13.139 -5.869 1.00 0.00 H new ATOM 0 HB3 MET A 8 21.009 13.428 -4.332 1.00 0.00 H new ATOM 0 HG2 MET A 8 23.152 12.594 -5.254 1.00 0.00 H new ATOM 0 HG3 MET A 8 22.371 12.241 -6.783 1.00 0.00 H new ATOM 0 HE1 MET A 8 23.419 16.435 -5.150 1.00 0.00 H new ATOM 0 HE2 MET A 8 22.097 15.477 -4.441 1.00 0.00 H new ATOM 0 HE3 MET A 8 23.772 14.880 -4.361 1.00 0.00 H new ATOM 83 N ASN A 9 19.805 11.587 -2.592 1.00 0.00 N ATOM 84 CA ASN A 9 18.814 11.684 -1.516 1.00 0.00 C ATOM 85 C ASN A 9 17.860 10.490 -1.446 1.00 0.00 C ATOM 86 O ASN A 9 16.735 10.552 -1.956 1.00 0.00 O ATOM 87 CB ASN A 9 18.076 13.015 -1.671 1.00 0.00 C ATOM 88 CG ASN A 9 16.937 13.217 -0.688 1.00 0.00 C ATOM 89 OD1 ASN A 9 17.011 12.847 0.477 1.00 0.00 O ATOM 90 ND2 ASN A 9 15.872 13.862 -1.120 1.00 0.00 N ATOM 0 H ASN A 9 20.721 11.916 -2.288 1.00 0.00 H new ATOM 0 HA ASN A 9 19.335 11.656 -0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.791 13.829 -1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 9 17.681 13.082 -2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.100 14.057 -0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.820 14.166 -2.092 1.00 0.00 H new ATOM 97 N LYS A 10 18.304 9.400 -0.810 1.00 0.00 N ATOM 98 CA LYS A 10 17.469 8.211 -0.629 1.00 0.00 C ATOM 99 C LYS A 10 16.173 8.602 0.107 1.00 0.00 C ATOM 100 O LYS A 10 16.272 9.151 1.208 1.00 0.00 O ATOM 101 CB LYS A 10 18.192 7.108 0.160 1.00 0.00 C ATOM 102 CG LYS A 10 19.226 6.271 -0.613 1.00 0.00 C ATOM 103 CD LYS A 10 20.598 6.936 -0.813 1.00 0.00 C ATOM 104 CE LYS A 10 20.734 7.486 -2.236 1.00 0.00 C ATOM 105 NZ LYS A 10 21.965 8.273 -2.441 1.00 0.00 N ATOM 0 H LYS A 10 19.239 9.318 -0.412 1.00 0.00 H new ATOM 0 HA LYS A 10 17.241 7.814 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.695 7.571 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.440 6.431 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 10 19.372 5.328 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.813 6.028 -1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 10 20.724 7.744 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 10 21.390 6.212 -0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 10 20.720 6.656 -2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 10 19.870 8.111 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 21.990 8.631 -3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 21.979 9.074 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 22.795 7.669 -2.273 1.00 0.00 H new ATOM 119 N PRO A 11 14.986 8.346 -0.473 1.00 0.00 N ATOM 120 CA PRO A 11 13.688 8.537 0.179 1.00 0.00 C ATOM 121 C PRO A 11 13.447 7.512 1.303 1.00 0.00 C ATOM 122 O PRO A 11 14.403 6.941 1.828 1.00 0.00 O ATOM 123 CB PRO A 11 12.660 8.521 -0.960 1.00 0.00 C ATOM 124 CG PRO A 11 13.327 7.680 -2.043 1.00 0.00 C ATOM 125 CD PRO A 11 14.818 7.854 -1.830 1.00 0.00 C ATOM 0 HA PRO A 11 13.618 9.483 0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.715 8.083 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.441 9.528 -1.314 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.038 6.632 -1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.031 8.014 -3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.343 6.908 -1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.234 8.557 -2.552 1.00 0.00 H new ATOM 133 N LEU A 12 12.191 7.376 1.753 1.00 0.00 N ATOM 134 CA LEU A 12 11.786 6.689 2.983 1.00 0.00 C ATOM 135 C LEU A 12 12.409 5.296 3.027 1.00 0.00 C ATOM 136 O LEU A 12 12.274 4.536 2.068 1.00 0.00 O ATOM 137 CB LEU A 12 10.248 6.518 3.105 1.00 0.00 C ATOM 138 CG LEU A 12 9.281 7.692 2.863 1.00 0.00 C ATOM 139 CD1 LEU A 12 9.482 8.802 3.889 1.00 0.00 C ATOM 140 CD2 LEU A 12 9.298 8.281 1.447 1.00 0.00 C ATOM 0 H LEU A 12 11.395 7.761 1.244 1.00 0.00 H new ATOM 0 HA LEU A 12 12.131 7.313 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.963 5.726 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.050 6.148 4.111 1.00 0.00 H new ATOM 0 HG LEU A 12 8.294 7.244 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.783 9.614 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.303 8.409 4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.503 9.177 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.582 9.100 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.297 8.654 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.028 7.508 0.728 1.00 0.00 H new ATOM 152 N THR A 13 13.047 4.939 4.144 1.00 0.00 N ATOM 153 CA THR A 13 13.534 3.589 4.310 1.00 0.00 C ATOM 154 C THR A 13 12.344 2.631 4.223 1.00 0.00 C ATOM 155 O THR A 13 11.287 2.926 4.785 1.00 0.00 O ATOM 156 CB THR A 13 14.284 3.391 5.636 1.00 0.00 C ATOM 157 OG1 THR A 13 13.568 3.881 6.749 1.00 0.00 O ATOM 158 CG2 THR A 13 15.634 4.089 5.637 1.00 0.00 C ATOM 0 H THR A 13 13.231 5.563 4.930 1.00 0.00 H new ATOM 0 HA THR A 13 14.253 3.383 3.517 1.00 0.00 H new ATOM 0 HB THR A 13 14.408 2.311 5.721 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.643 4.071 6.485 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.129 3.922 6.594 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.252 3.687 4.834 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.491 5.159 5.484 1.00 0.00 H new ATOM 166 N PRO A 14 12.521 1.454 3.622 1.00 0.00 N ATOM 167 CA PRO A 14 11.485 0.440 3.537 1.00 0.00 C ATOM 168 C PRO A 14 11.068 -0.053 4.924 1.00 0.00 C ATOM 169 O PRO A 14 9.942 -0.506 5.095 1.00 0.00 O ATOM 170 CB PRO A 14 12.056 -0.667 2.654 1.00 0.00 C ATOM 171 CG PRO A 14 13.561 -0.432 2.657 1.00 0.00 C ATOM 172 CD PRO A 14 13.745 1.042 2.980 1.00 0.00 C ATOM 0 HA PRO A 14 10.567 0.833 3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.809 -1.653 3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.650 -0.616 1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.054 -1.060 3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.998 -0.679 1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.602 1.196 3.635 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.927 1.622 2.075 1.00 0.00 H new ATOM 180 N SER A 15 11.929 0.092 5.932 1.00 0.00 N ATOM 181 CA SER A 15 11.636 -0.213 7.323 1.00 0.00 C ATOM 182 C SER A 15 10.766 0.845 8.034 1.00 0.00 C ATOM 183 O SER A 15 10.368 0.624 9.181 1.00 0.00 O ATOM 184 CB SER A 15 12.975 -0.458 8.044 1.00 0.00 C ATOM 185 OG SER A 15 14.038 0.366 7.569 1.00 0.00 O ATOM 0 H SER A 15 12.879 0.436 5.793 1.00 0.00 H new ATOM 0 HA SER A 15 11.018 -1.110 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.841 -0.284 9.112 1.00 0.00 H new ATOM 0 HB3 SER A 15 13.256 -1.504 7.925 1.00 0.00 H new ATOM 0 HG SER A 15 14.857 0.163 8.067 1.00 0.00 H new ATOM 191 N THR A 16 10.469 1.992 7.413 1.00 0.00 N ATOM 192 CA THR A 16 9.557 2.991 7.968 1.00 0.00 C ATOM 193 C THR A 16 8.127 2.429 7.933 1.00 0.00 C ATOM 194 O THR A 16 7.728 1.809 6.951 1.00 0.00 O ATOM 195 CB THR A 16 9.718 4.287 7.160 1.00 0.00 C ATOM 196 OG1 THR A 16 11.050 4.755 7.286 1.00 0.00 O ATOM 197 CG2 THR A 16 8.820 5.436 7.602 1.00 0.00 C ATOM 0 H THR A 16 10.858 2.252 6.507 1.00 0.00 H new ATOM 0 HA THR A 16 9.783 3.221 9.009 1.00 0.00 H new ATOM 0 HB THR A 16 9.442 4.016 6.141 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.157 5.581 6.770 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.006 6.306 6.973 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.776 5.138 7.509 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.035 5.687 8.641 1.00 0.00 H new ATOM 205 N TYR A 17 7.349 2.629 8.997 1.00 0.00 N ATOM 206 CA TYR A 17 5.984 2.116 9.097 1.00 0.00 C ATOM 207 C TYR A 17 5.018 3.033 8.359 1.00 0.00 C ATOM 208 O TYR A 17 5.232 4.245 8.348 1.00 0.00 O ATOM 209 CB TYR A 17 5.578 2.006 10.566 1.00 0.00 C ATOM 210 CG TYR A 17 6.093 0.748 11.230 1.00 0.00 C ATOM 211 CD1 TYR A 17 7.476 0.502 11.340 1.00 0.00 C ATOM 212 CD2 TYR A 17 5.174 -0.203 11.703 1.00 0.00 C ATOM 213 CE1 TYR A 17 7.939 -0.670 11.958 1.00 0.00 C ATOM 214 CE2 TYR A 17 5.628 -1.371 12.330 1.00 0.00 C ATOM 215 CZ TYR A 17 7.013 -1.607 12.464 1.00 0.00 C ATOM 216 OH TYR A 17 7.463 -2.737 13.063 1.00 0.00 O ATOM 0 H TYR A 17 7.650 3.154 9.818 1.00 0.00 H new ATOM 0 HA TYR A 17 5.946 1.128 8.639 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.953 2.875 11.107 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.491 2.030 10.639 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.183 1.218 10.947 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.114 -0.034 11.583 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.000 -0.854 12.046 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.918 -2.091 12.711 1.00 0.00 H new ATOM 0 HH TYR A 17 6.700 -3.277 13.358 1.00 0.00 H new ATOM 226 N ILE A 18 3.907 2.497 7.832 1.00 0.00 N ATOM 227 CA ILE A 18 2.941 3.319 7.094 1.00 0.00 C ATOM 228 C ILE A 18 2.379 4.409 7.997 1.00 0.00 C ATOM 229 O ILE A 18 2.347 5.572 7.607 1.00 0.00 O ATOM 230 CB ILE A 18 1.761 2.559 6.444 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.943 1.049 6.267 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.451 3.233 5.095 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.957 0.715 5.190 1.00 0.00 C ATOM 0 H ILE A 18 3.658 1.510 7.902 1.00 0.00 H new ATOM 0 HA ILE A 18 3.521 3.730 6.267 1.00 0.00 H new ATOM 0 HB ILE A 18 0.928 2.629 7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.262 0.610 7.212 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.984 0.597 6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.621 2.717 4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.182 4.276 5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.331 3.184 4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.051 -0.367 5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.626 1.129 4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.924 1.143 5.455 1.00 0.00 H new ATOM 245 N ARG A 19 1.969 4.063 9.222 1.00 0.00 N ATOM 246 CA ARG A 19 1.420 5.045 10.150 1.00 0.00 C ATOM 247 C ARG A 19 2.426 6.164 10.421 1.00 0.00 C ATOM 248 O ARG A 19 2.019 7.283 10.708 1.00 0.00 O ATOM 249 CB ARG A 19 0.934 4.354 11.441 1.00 0.00 C ATOM 250 CG ARG A 19 2.056 3.863 12.378 1.00 0.00 C ATOM 251 CD ARG A 19 2.359 4.956 13.405 1.00 0.00 C ATOM 252 NE ARG A 19 3.490 4.649 14.287 1.00 0.00 N ATOM 253 CZ ARG A 19 4.009 5.536 15.145 1.00 0.00 C ATOM 254 NH1 ARG A 19 3.589 6.800 15.141 1.00 0.00 N ATOM 255 NH2 ARG A 19 4.943 5.157 16.007 1.00 0.00 N ATOM 0 H ARG A 19 2.009 3.112 9.589 1.00 0.00 H new ATOM 0 HA ARG A 19 0.550 5.516 9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.300 5.049 11.991 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.311 3.503 11.167 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.751 2.946 12.882 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.951 3.628 11.803 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.565 5.888 12.878 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.471 5.124 14.015 1.00 0.00 H new ATOM 0 HE ARG A 19 3.900 3.716 14.245 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.869 7.096 14.482 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.988 7.472 15.797 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.266 4.190 16.016 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.338 5.833 16.661 1.00 0.00 H new ATOM 269 N ASN A 20 3.729 5.862 10.366 1.00 0.00 N ATOM 270 CA ASN A 20 4.787 6.836 10.621 1.00 0.00 C ATOM 271 C ASN A 20 5.004 7.800 9.453 1.00 0.00 C ATOM 272 O ASN A 20 5.743 8.779 9.594 1.00 0.00 O ATOM 273 CB ASN A 20 6.123 6.139 10.933 1.00 0.00 C ATOM 274 CG ASN A 20 7.054 7.112 11.645 1.00 0.00 C ATOM 275 OD1 ASN A 20 6.627 7.808 12.562 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.317 7.208 11.274 1.00 0.00 N ATOM 0 H ASN A 20 4.076 4.929 10.142 1.00 0.00 H new ATOM 0 HA ASN A 20 4.452 7.411 11.484 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.950 5.263 11.558 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.585 5.787 10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.940 7.861 11.749 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.670 6.629 10.512 1.00 0.00 H new ATOM 283 N LEU A 21 4.420 7.515 8.286 1.00 0.00 N ATOM 284 CA LEU A 21 4.507 8.412 7.150 1.00 0.00 C ATOM 285 C LEU A 21 3.652 9.644 7.445 1.00 0.00 C ATOM 286 O LEU A 21 2.560 9.548 8.015 1.00 0.00 O ATOM 287 CB LEU A 21 4.121 7.717 5.830 1.00 0.00 C ATOM 288 CG LEU A 21 4.889 6.421 5.489 1.00 0.00 C ATOM 289 CD1 LEU A 21 4.537 5.941 4.079 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.397 6.657 5.602 1.00 0.00 C ATOM 0 H LEU A 21 3.882 6.666 8.111 1.00 0.00 H new ATOM 0 HA LEU A 21 5.541 8.725 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.057 7.485 5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.267 8.426 5.015 1.00 0.00 H new ATOM 0 HG LEU A 21 4.596 5.649 6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.088 5.027 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.467 5.743 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.805 6.711 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.928 5.737 5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.695 7.442 4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.643 6.960 6.620 1.00 0.00 H new ATOM 302 N ASN A 22 4.187 10.811 7.086 1.00 0.00 N ATOM 303 CA ASN A 22 3.576 12.119 7.331 1.00 0.00 C ATOM 304 C ASN A 22 2.239 12.228 6.602 1.00 0.00 C ATOM 305 O ASN A 22 2.081 11.636 5.533 1.00 0.00 O ATOM 306 CB ASN A 22 4.514 13.198 6.770 1.00 0.00 C ATOM 307 CG ASN A 22 4.395 14.558 7.432 1.00 0.00 C ATOM 308 OD1 ASN A 22 3.415 15.266 7.232 1.00 0.00 O ATOM 309 ND2 ASN A 22 5.417 14.968 8.165 1.00 0.00 N ATOM 0 H ASN A 22 5.083 10.875 6.603 1.00 0.00 H new ATOM 0 HA ASN A 22 3.415 12.245 8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.543 12.851 6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.317 13.311 5.704 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.404 15.898 8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.218 14.354 8.312 1.00 0.00 H new ATOM 316 N VAL A 23 1.341 13.098 7.063 1.00 0.00 N ATOM 317 CA VAL A 23 0.175 13.529 6.303 1.00 0.00 C ATOM 318 C VAL A 23 0.580 14.113 4.939 1.00 0.00 C ATOM 319 O VAL A 23 -0.142 13.945 3.960 1.00 0.00 O ATOM 320 CB VAL A 23 -0.629 14.493 7.190 1.00 0.00 C ATOM 321 CG1 VAL A 23 0.112 15.810 7.466 1.00 0.00 C ATOM 322 CG2 VAL A 23 -2.014 14.756 6.607 1.00 0.00 C ATOM 0 H VAL A 23 1.406 13.527 7.986 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.467 12.685 6.051 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.749 13.996 8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.505 16.449 8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.053 15.599 7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.315 16.318 6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.558 15.441 7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.914 15.198 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.561 13.816 6.531 1.00 0.00 H new ATOM 332 N GLY A 24 1.763 14.729 4.834 1.00 0.00 N ATOM 333 CA GLY A 24 2.285 15.196 3.562 1.00 0.00 C ATOM 334 C GLY A 24 2.537 14.030 2.609 1.00 0.00 C ATOM 335 O GLY A 24 2.134 14.100 1.453 1.00 0.00 O ATOM 0 H GLY A 24 2.376 14.913 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.579 15.893 3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.213 15.743 3.725 1.00 0.00 H new ATOM 339 N ILE A 25 3.206 12.962 3.053 1.00 0.00 N ATOM 340 CA ILE A 25 3.463 11.778 2.243 1.00 0.00 C ATOM 341 C ILE A 25 2.137 11.068 1.934 1.00 0.00 C ATOM 342 O ILE A 25 1.961 10.638 0.801 1.00 0.00 O ATOM 343 CB ILE A 25 4.516 10.895 2.949 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.944 11.447 2.748 1.00 0.00 C ATOM 345 CG2 ILE A 25 4.549 9.454 2.410 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.261 12.845 3.277 1.00 0.00 C ATOM 0 H ILE A 25 3.587 12.899 3.997 1.00 0.00 H new ATOM 0 HA ILE A 25 3.890 12.042 1.276 1.00 0.00 H new ATOM 0 HB ILE A 25 4.220 10.903 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.639 10.749 3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.156 11.440 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.308 8.883 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.574 8.988 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.788 9.469 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.301 13.089 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.609 13.573 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.100 12.871 4.355 1.00 0.00 H new ATOM 358 N LEU A 26 1.190 10.997 2.874 1.00 0.00 N ATOM 359 CA LEU A 26 -0.159 10.472 2.635 1.00 0.00 C ATOM 360 C LEU A 26 -0.807 11.199 1.459 1.00 0.00 C ATOM 361 O LEU A 26 -1.278 10.554 0.523 1.00 0.00 O ATOM 362 CB LEU A 26 -1.017 10.636 3.907 1.00 0.00 C ATOM 363 CG LEU A 26 -0.812 9.518 4.938 1.00 0.00 C ATOM 364 CD1 LEU A 26 -1.286 9.954 6.329 1.00 0.00 C ATOM 365 CD2 LEU A 26 -1.569 8.245 4.539 1.00 0.00 C ATOM 0 H LEU A 26 1.340 11.306 3.834 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.090 9.412 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.783 11.594 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.069 10.668 3.623 1.00 0.00 H new ATOM 0 HG LEU A 26 0.257 9.309 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.128 9.142 7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.720 10.829 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.347 10.202 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.403 7.473 5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.635 8.462 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.208 7.895 3.572 1.00 0.00 H new ATOM 377 N ARG A 27 -0.798 12.535 1.487 1.00 0.00 N ATOM 378 CA ARG A 27 -1.340 13.367 0.417 1.00 0.00 C ATOM 379 C ARG A 27 -0.593 13.126 -0.897 1.00 0.00 C ATOM 380 O ARG A 27 -1.236 13.114 -1.951 1.00 0.00 O ATOM 381 CB ARG A 27 -1.341 14.847 0.838 1.00 0.00 C ATOM 382 CG ARG A 27 -2.418 15.146 1.898 1.00 0.00 C ATOM 383 CD ARG A 27 -3.794 15.445 1.284 1.00 0.00 C ATOM 384 NE ARG A 27 -3.973 16.871 0.960 1.00 0.00 N ATOM 385 CZ ARG A 27 -5.102 17.412 0.480 1.00 0.00 C ATOM 386 NH1 ARG A 27 -6.147 16.643 0.173 1.00 0.00 N ATOM 387 NH2 ARG A 27 -5.197 18.732 0.329 1.00 0.00 N ATOM 0 H ARG A 27 -0.409 13.072 2.263 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.377 13.084 0.238 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.360 15.112 1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.511 15.473 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.504 14.294 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.102 15.998 2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.920 14.852 0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.573 15.134 1.980 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.179 17.493 1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.092 15.633 0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.001 17.065 -0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.411 19.332 0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.056 19.143 -0.036 1.00 0.00 H new ATOM 401 N LYS A 28 0.724 12.883 -0.865 1.00 0.00 N ATOM 402 CA LYS A 28 1.478 12.505 -2.061 1.00 0.00 C ATOM 403 C LYS A 28 0.977 11.192 -2.625 1.00 0.00 C ATOM 404 O LYS A 28 0.655 11.134 -3.805 1.00 0.00 O ATOM 405 CB LYS A 28 2.990 12.408 -1.825 1.00 0.00 C ATOM 406 CG LYS A 28 3.620 13.732 -1.394 1.00 0.00 C ATOM 407 CD LYS A 28 5.011 13.920 -1.994 1.00 0.00 C ATOM 408 CE LYS A 28 4.903 14.364 -3.458 1.00 0.00 C ATOM 409 NZ LYS A 28 6.201 14.811 -3.992 1.00 0.00 N ATOM 0 H LYS A 28 1.289 12.943 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 28 1.310 13.309 -2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.184 11.655 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.472 12.065 -2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.977 14.557 -1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.686 13.766 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.564 14.664 -1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.571 12.987 -1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.527 13.538 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.178 15.174 -3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.086 15.103 -4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.548 15.616 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.886 14.030 -3.938 1.00 0.00 H new ATOM 423 N LEU A 29 0.934 10.140 -1.808 1.00 0.00 N ATOM 424 CA LEU A 29 0.442 8.840 -2.228 1.00 0.00 C ATOM 425 C LEU A 29 -0.923 8.967 -2.889 1.00 0.00 C ATOM 426 O LEU A 29 -1.078 8.502 -4.015 1.00 0.00 O ATOM 427 CB LEU A 29 0.414 7.877 -1.033 1.00 0.00 C ATOM 428 CG LEU A 29 1.698 7.052 -0.857 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.964 6.097 -2.031 1.00 0.00 C ATOM 430 CD2 LEU A 29 2.947 7.880 -0.557 1.00 0.00 C ATOM 0 H LEU A 29 1.241 10.171 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 29 1.121 8.426 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.237 8.450 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.429 7.196 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 29 1.496 6.456 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.884 5.543 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.133 5.399 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.064 6.671 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.805 7.217 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.128 8.576 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.800 8.438 0.368 1.00 0.00 H new ATOM 442 N SER A 30 -1.890 9.635 -2.252 1.00 0.00 N ATOM 443 CA SER A 30 -3.232 9.748 -2.813 1.00 0.00 C ATOM 444 C SER A 30 -3.255 10.319 -4.233 1.00 0.00 C ATOM 445 O SER A 30 -4.153 9.965 -4.986 1.00 0.00 O ATOM 446 CB SER A 30 -4.157 10.525 -1.873 1.00 0.00 C ATOM 447 OG SER A 30 -3.565 11.670 -1.291 1.00 0.00 O ATOM 0 H SER A 30 -1.766 10.102 -1.353 1.00 0.00 H new ATOM 0 HA SER A 30 -3.613 8.731 -2.903 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.045 10.831 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.491 9.859 -1.078 1.00 0.00 H new ATOM 0 HG SER A 30 -2.795 11.950 -1.829 1.00 0.00 H new ATOM 453 N ASP A 31 -2.269 11.125 -4.631 1.00 0.00 N ATOM 454 CA ASP A 31 -2.233 11.745 -5.954 1.00 0.00 C ATOM 455 C ASP A 31 -2.118 10.714 -7.081 1.00 0.00 C ATOM 456 O ASP A 31 -2.585 10.973 -8.186 1.00 0.00 O ATOM 457 CB ASP A 31 -1.069 12.748 -6.022 1.00 0.00 C ATOM 458 CG ASP A 31 -1.533 14.132 -6.445 1.00 0.00 C ATOM 459 OD1 ASP A 31 -2.260 14.764 -5.651 1.00 0.00 O ATOM 460 OD2 ASP A 31 -1.035 14.685 -7.454 1.00 0.00 O ATOM 0 H ASP A 31 -1.472 11.366 -4.042 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.179 12.267 -6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.587 12.810 -5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.320 12.386 -6.726 1.00 0.00 H new ATOM 465 N PHE A 32 -1.490 9.560 -6.819 1.00 0.00 N ATOM 466 CA PHE A 32 -1.268 8.502 -7.812 1.00 0.00 C ATOM 467 C PHE A 32 -2.155 7.280 -7.568 1.00 0.00 C ATOM 468 O PHE A 32 -2.320 6.451 -8.465 1.00 0.00 O ATOM 469 CB PHE A 32 0.230 8.130 -7.844 1.00 0.00 C ATOM 470 CG PHE A 32 1.162 9.334 -7.889 1.00 0.00 C ATOM 471 CD1 PHE A 32 0.843 10.457 -8.682 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.309 9.367 -7.072 1.00 0.00 C ATOM 473 CE1 PHE A 32 1.614 11.629 -8.606 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.090 10.538 -7.011 1.00 0.00 C ATOM 475 CZ PHE A 32 2.727 11.678 -7.752 1.00 0.00 C ATOM 0 H PHE A 32 -1.117 9.332 -5.897 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.555 8.885 -8.791 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.465 7.533 -6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.420 7.502 -8.715 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.002 10.415 -9.354 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.589 8.498 -6.495 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.351 12.490 -9.203 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.974 10.561 -6.391 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.303 12.587 -7.664 1.00 0.00 H new ATOM 485 N ILE A 33 -2.677 7.142 -6.348 1.00 0.00 N ATOM 486 CA ILE A 33 -3.374 5.959 -5.850 1.00 0.00 C ATOM 487 C ILE A 33 -4.897 6.157 -5.893 1.00 0.00 C ATOM 488 O ILE A 33 -5.642 5.186 -6.042 1.00 0.00 O ATOM 489 CB ILE A 33 -2.881 5.690 -4.414 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.345 5.551 -4.280 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.573 4.469 -3.796 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.787 4.190 -4.650 1.00 0.00 C ATOM 0 H ILE A 33 -2.622 7.885 -5.651 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.155 5.099 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.159 6.585 -3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.871 6.304 -4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.064 5.774 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.199 4.312 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.649 4.639 -3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.363 3.587 -4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.296 4.194 -4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.225 3.429 -4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.030 3.968 -5.689 1.00 0.00 H new ATOM 504 N ASP A 34 -5.369 7.396 -5.717 1.00 0.00 N ATOM 505 CA ASP A 34 -6.777 7.749 -5.862 1.00 0.00 C ATOM 506 C ASP A 34 -7.259 7.519 -7.298 1.00 0.00 C ATOM 507 O ASP A 34 -8.252 6.802 -7.465 1.00 0.00 O ATOM 508 CB ASP A 34 -7.052 9.185 -5.401 1.00 0.00 C ATOM 509 CG ASP A 34 -8.525 9.527 -5.579 1.00 0.00 C ATOM 510 OD1 ASP A 34 -8.917 9.968 -6.684 1.00 0.00 O ATOM 511 OD2 ASP A 34 -9.297 9.337 -4.615 1.00 0.00 O ATOM 0 H ASP A 34 -4.775 8.187 -5.467 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.349 7.088 -5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.770 9.298 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.439 9.881 -5.973 1.00 0.00 H new ATOM 516 N PRO A 35 -6.612 8.069 -8.348 1.00 0.00 N ATOM 517 CA PRO A 35 -6.987 7.710 -9.704 1.00 0.00 C ATOM 518 C PRO A 35 -6.680 6.229 -9.952 1.00 0.00 C ATOM 519 O PRO A 35 -5.841 5.625 -9.281 1.00 0.00 O ATOM 520 CB PRO A 35 -6.188 8.642 -10.620 1.00 0.00 C ATOM 521 CG PRO A 35 -4.943 8.963 -9.799 1.00 0.00 C ATOM 522 CD PRO A 35 -5.494 9.011 -8.375 1.00 0.00 C ATOM 0 HA PRO A 35 -8.054 7.830 -9.893 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.934 8.158 -11.563 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.750 9.543 -10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.174 8.199 -9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.495 9.912 -10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.729 8.731 -7.650 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.824 10.017 -8.117 1.00 0.00 H new ATOM 530 N GLN A 36 -7.346 5.644 -10.944 1.00 0.00 N ATOM 531 CA GLN A 36 -7.165 4.276 -11.415 1.00 0.00 C ATOM 532 C GLN A 36 -7.370 3.222 -10.310 1.00 0.00 C ATOM 533 O GLN A 36 -7.011 2.065 -10.514 1.00 0.00 O ATOM 534 CB GLN A 36 -5.814 4.140 -12.147 1.00 0.00 C ATOM 535 CG GLN A 36 -5.591 5.157 -13.288 1.00 0.00 C ATOM 536 CD GLN A 36 -4.170 5.710 -13.239 1.00 0.00 C ATOM 537 OE1 GLN A 36 -3.878 6.646 -12.496 1.00 0.00 O ATOM 538 NE2 GLN A 36 -3.262 5.158 -14.018 1.00 0.00 N ATOM 0 H GLN A 36 -8.066 6.140 -11.469 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.954 4.064 -12.137 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.010 4.249 -11.419 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.738 3.133 -12.557 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.768 4.677 -14.251 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.309 5.973 -13.202 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.518 4.382 -14.629 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.303 5.506 -14.010 1.00 0.00 H new ATOM 547 N GLU A 37 -7.985 3.575 -9.171 1.00 0.00 N ATOM 548 CA GLU A 37 -8.371 2.655 -8.097 1.00 0.00 C ATOM 549 C GLU A 37 -7.169 1.903 -7.498 1.00 0.00 C ATOM 550 O GLU A 37 -7.288 0.761 -7.043 1.00 0.00 O ATOM 551 CB GLU A 37 -9.518 1.746 -8.594 1.00 0.00 C ATOM 552 CG GLU A 37 -10.857 2.482 -8.535 1.00 0.00 C ATOM 553 CD GLU A 37 -11.896 1.824 -9.443 1.00 0.00 C ATOM 554 OE1 GLU A 37 -12.474 0.789 -9.029 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.122 2.282 -10.588 1.00 0.00 O ATOM 0 H GLU A 37 -8.235 4.543 -8.968 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.755 3.226 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.318 1.427 -9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.566 0.845 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.223 2.492 -7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.716 3.521 -8.834 1.00 0.00 H new ATOM 562 N GLY A 38 -5.999 2.545 -7.442 1.00 0.00 N ATOM 563 CA GLY A 38 -4.793 1.973 -6.863 1.00 0.00 C ATOM 564 C GLY A 38 -5.021 1.490 -5.433 1.00 0.00 C ATOM 565 O GLY A 38 -4.482 0.449 -5.046 1.00 0.00 O ATOM 0 H GLY A 38 -5.867 3.489 -7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.455 1.139 -7.478 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.998 2.718 -6.872 1.00 0.00 H new ATOM 569 N TRP A 39 -5.810 2.214 -4.635 1.00 0.00 N ATOM 570 CA TRP A 39 -6.096 1.840 -3.255 1.00 0.00 C ATOM 571 C TRP A 39 -6.852 0.510 -3.182 1.00 0.00 C ATOM 572 O TRP A 39 -6.495 -0.353 -2.381 1.00 0.00 O ATOM 573 CB TRP A 39 -6.889 2.944 -2.553 1.00 0.00 C ATOM 574 CG TRP A 39 -8.215 3.286 -3.154 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.447 4.203 -4.119 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.508 2.692 -2.841 1.00 0.00 C ATOM 577 NE1 TRP A 39 -9.795 4.227 -4.414 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.490 3.284 -3.683 1.00 0.00 C ATOM 579 CE3 TRP A 39 -9.933 1.653 -1.984 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -11.824 2.855 -3.662 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.276 1.236 -1.944 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.233 1.872 -2.747 1.00 0.00 C ATOM 0 H TRP A 39 -6.267 3.076 -4.932 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.143 1.712 -2.741 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.049 2.646 -1.517 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.278 3.846 -2.534 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.695 4.821 -4.587 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.224 4.862 -5.087 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.210 1.167 -1.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.538 3.281 -4.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.570 0.425 -1.294 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.277 1.608 -2.662 1.00 0.00 H new ATOM 593 N LYS A 40 -7.872 0.325 -4.033 1.00 0.00 N ATOM 594 CA LYS A 40 -8.665 -0.904 -4.109 1.00 0.00 C ATOM 595 C LYS A 40 -7.744 -2.088 -4.344 1.00 0.00 C ATOM 596 O LYS A 40 -7.889 -3.137 -3.721 1.00 0.00 O ATOM 597 CB LYS A 40 -9.716 -0.798 -5.240 1.00 0.00 C ATOM 598 CG LYS A 40 -11.051 -0.265 -4.759 1.00 0.00 C ATOM 599 CD LYS A 40 -12.222 -0.605 -5.684 1.00 0.00 C ATOM 600 CE LYS A 40 -13.219 0.558 -5.777 1.00 0.00 C ATOM 601 NZ LYS A 40 -14.128 0.399 -6.927 1.00 0.00 N ATOM 0 H LYS A 40 -8.171 1.039 -4.697 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.195 -1.048 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.332 -0.147 -6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.863 -1.782 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.256 -0.667 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.984 0.818 -4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.845 -0.843 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.732 -1.495 -5.315 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.801 0.614 -4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.675 1.498 -5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.032 0.871 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.697 0.826 -7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.297 -0.613 -7.099 1.00 0.00 H new ATOM 615 N LYS A 41 -6.780 -1.893 -5.236 1.00 0.00 N ATOM 616 CA LYS A 41 -5.838 -2.917 -5.638 1.00 0.00 C ATOM 617 C LYS A 41 -4.923 -3.257 -4.469 1.00 0.00 C ATOM 618 O LYS A 41 -4.750 -4.425 -4.137 1.00 0.00 O ATOM 619 CB LYS A 41 -5.110 -2.422 -6.879 1.00 0.00 C ATOM 620 CG LYS A 41 -6.041 -2.472 -8.090 1.00 0.00 C ATOM 621 CD LYS A 41 -5.572 -1.464 -9.127 1.00 0.00 C ATOM 622 CE LYS A 41 -6.441 -1.643 -10.363 1.00 0.00 C ATOM 623 NZ LYS A 41 -6.375 -0.489 -11.271 1.00 0.00 N ATOM 0 H LYS A 41 -6.633 -1.000 -5.706 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.333 -3.851 -5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.760 -1.402 -6.722 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.229 -3.037 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.047 -3.475 -8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.064 -2.249 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.659 -0.448 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.522 -1.624 -9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.127 -2.540 -10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.475 -1.801 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.858 -0.720 -12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.840 0.329 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.380 -0.258 -11.467 1.00 0.00 H new ATOM 637 N LEU A 42 -4.360 -2.248 -3.800 1.00 0.00 N ATOM 638 CA LEU A 42 -3.480 -2.430 -2.655 1.00 0.00 C ATOM 639 C LEU A 42 -4.175 -3.197 -1.539 1.00 0.00 C ATOM 640 O LEU A 42 -3.611 -4.154 -1.022 1.00 0.00 O ATOM 641 CB LEU A 42 -3.023 -1.041 -2.210 1.00 0.00 C ATOM 642 CG LEU A 42 -1.801 -0.923 -1.287 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.224 -0.537 0.133 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.826 -2.104 -1.312 1.00 0.00 C ATOM 0 H LEU A 42 -4.508 -1.269 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.613 -3.033 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.816 -0.459 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.864 -0.563 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.208 -0.112 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.341 -0.460 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.740 0.423 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.893 -1.299 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.003 -1.911 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.347 -3.012 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.433 -2.230 -2.321 1.00 0.00 H new ATOM 656 N ALA A 43 -5.409 -2.817 -1.202 1.00 0.00 N ATOM 657 CA ALA A 43 -6.233 -3.548 -0.254 1.00 0.00 C ATOM 658 C ALA A 43 -6.266 -5.050 -0.568 1.00 0.00 C ATOM 659 O ALA A 43 -5.876 -5.849 0.281 1.00 0.00 O ATOM 660 CB ALA A 43 -7.631 -2.935 -0.222 1.00 0.00 C ATOM 0 H ALA A 43 -5.862 -1.987 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.793 -3.460 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.252 -3.481 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.564 -1.891 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.077 -2.995 -1.215 1.00 0.00 H new ATOM 666 N VAL A 44 -6.706 -5.465 -1.760 1.00 0.00 N ATOM 667 CA VAL A 44 -6.808 -6.884 -2.084 1.00 0.00 C ATOM 668 C VAL A 44 -5.441 -7.553 -2.292 1.00 0.00 C ATOM 669 O VAL A 44 -5.327 -8.780 -2.231 1.00 0.00 O ATOM 670 CB VAL A 44 -7.729 -7.074 -3.296 1.00 0.00 C ATOM 671 CG1 VAL A 44 -9.127 -6.507 -3.016 1.00 0.00 C ATOM 672 CG2 VAL A 44 -7.216 -6.500 -4.622 1.00 0.00 C ATOM 0 H VAL A 44 -6.995 -4.838 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.248 -7.389 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.759 -8.155 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.761 -6.654 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.564 -7.022 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.051 -5.442 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.946 -6.692 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.067 -5.425 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.270 -6.975 -4.882 1.00 0.00 H new ATOM 682 N ALA A 45 -4.384 -6.775 -2.531 1.00 0.00 N ATOM 683 CA ALA A 45 -3.025 -7.275 -2.589 1.00 0.00 C ATOM 684 C ALA A 45 -2.555 -7.693 -1.189 1.00 0.00 C ATOM 685 O ALA A 45 -1.754 -8.617 -1.056 1.00 0.00 O ATOM 686 CB ALA A 45 -2.113 -6.215 -3.218 1.00 0.00 C ATOM 0 H ALA A 45 -4.457 -5.770 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.982 -8.163 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.091 -6.593 -3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.459 -5.990 -4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.139 -5.308 -2.614 1.00 0.00 H new ATOM 692 N ILE A 46 -3.046 -7.041 -0.135 1.00 0.00 N ATOM 693 CA ILE A 46 -2.605 -7.270 1.232 1.00 0.00 C ATOM 694 C ILE A 46 -3.320 -8.502 1.781 1.00 0.00 C ATOM 695 O ILE A 46 -4.488 -8.468 2.186 1.00 0.00 O ATOM 696 CB ILE A 46 -2.794 -5.990 2.065 1.00 0.00 C ATOM 697 CG1 ILE A 46 -1.779 -4.943 1.553 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.545 -6.230 3.562 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.175 -3.523 1.923 1.00 0.00 C ATOM 0 H ILE A 46 -3.772 -6.329 -0.213 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.538 -7.487 1.278 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.824 -5.650 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.795 -5.162 1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.694 -5.023 0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.690 -5.298 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.244 -6.980 3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.524 -6.582 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.430 -2.826 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.147 -3.291 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.233 -3.432 3.008 1.00 0.00 H new ATOM 711 N LYS A 47 -2.589 -9.611 1.813 1.00 0.00 N ATOM 712 CA LYS A 47 -3.009 -10.829 2.486 1.00 0.00 C ATOM 713 C LYS A 47 -2.345 -10.869 3.853 1.00 0.00 C ATOM 714 O LYS A 47 -1.165 -10.521 3.984 1.00 0.00 O ATOM 715 CB LYS A 47 -2.641 -12.062 1.644 1.00 0.00 C ATOM 716 CG LYS A 47 -3.701 -12.446 0.604 1.00 0.00 C ATOM 717 CD LYS A 47 -4.030 -11.310 -0.372 1.00 0.00 C ATOM 718 CE LYS A 47 -4.422 -11.858 -1.738 1.00 0.00 C ATOM 719 NZ LYS A 47 -5.723 -12.549 -1.732 1.00 0.00 N ATOM 0 H LYS A 47 -1.676 -9.687 1.365 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.092 -10.840 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.697 -11.872 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.477 -12.909 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.351 -13.311 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.613 -12.749 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.844 -10.706 0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.167 -10.653 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.456 -11.038 -2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.652 -12.549 -2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.807 -13.138 -2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.792 -13.151 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.489 -11.846 -1.720 1.00 0.00 H new ATOM 733 N LYS A 48 -3.094 -11.337 4.852 1.00 0.00 N ATOM 734 CA LYS A 48 -2.600 -11.728 6.166 1.00 0.00 C ATOM 735 C LYS A 48 -1.425 -12.698 6.002 1.00 0.00 C ATOM 736 O LYS A 48 -1.293 -13.318 4.943 1.00 0.00 O ATOM 737 CB LYS A 48 -3.717 -12.450 6.941 1.00 0.00 C ATOM 738 CG LYS A 48 -4.823 -11.581 7.546 1.00 0.00 C ATOM 739 CD LYS A 48 -5.656 -12.443 8.519 1.00 0.00 C ATOM 740 CE LYS A 48 -7.157 -12.144 8.494 1.00 0.00 C ATOM 741 NZ LYS A 48 -7.919 -13.200 9.195 1.00 0.00 N ATOM 0 H LYS A 48 -4.103 -11.458 4.761 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.281 -10.837 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.183 -13.171 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.255 -13.019 7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.390 -10.730 8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.460 -11.178 6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.502 -13.495 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.283 -12.291 9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.347 -11.180 8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.499 -12.068 7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.937 -13.001 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.714 -14.122 8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.643 -13.220 10.197 1.00 0.00 H new ATOM 755 N PRO A 49 -0.646 -12.950 7.064 1.00 0.00 N ATOM 756 CA PRO A 49 0.381 -13.980 7.062 1.00 0.00 C ATOM 757 C PRO A 49 -0.225 -15.336 6.659 1.00 0.00 C ATOM 758 O PRO A 49 0.329 -16.017 5.795 1.00 0.00 O ATOM 759 CB PRO A 49 0.977 -13.970 8.474 1.00 0.00 C ATOM 760 CG PRO A 49 0.551 -12.630 9.079 1.00 0.00 C ATOM 761 CD PRO A 49 -0.780 -12.367 8.385 1.00 0.00 C ATOM 0 HA PRO A 49 1.168 -13.796 6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.603 -14.806 9.065 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.063 -14.061 8.444 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.440 -12.690 10.162 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.278 -11.843 8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.606 -12.821 8.933 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.987 -11.299 8.324 1.00 0.00 H new ATOM 769 N SER A 50 -1.417 -15.662 7.180 1.00 0.00 N ATOM 770 CA SER A 50 -2.197 -16.857 6.854 1.00 0.00 C ATOM 771 C SER A 50 -2.619 -16.939 5.380 1.00 0.00 C ATOM 772 O SER A 50 -2.945 -18.029 4.917 1.00 0.00 O ATOM 773 CB SER A 50 -3.462 -16.851 7.729 1.00 0.00 C ATOM 774 OG SER A 50 -4.150 -18.089 7.744 1.00 0.00 O ATOM 0 H SER A 50 -1.881 -15.071 7.870 1.00 0.00 H new ATOM 0 HA SER A 50 -1.561 -17.721 7.044 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.186 -16.587 8.750 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.137 -16.074 7.370 1.00 0.00 H new ATOM 0 HG SER A 50 -4.941 -18.017 8.318 1.00 0.00 H new ATOM 780 N GLY A 51 -2.645 -15.830 4.638 1.00 0.00 N ATOM 781 CA GLY A 51 -3.145 -15.788 3.269 1.00 0.00 C ATOM 782 C GLY A 51 -4.617 -15.395 3.163 1.00 0.00 C ATOM 783 O GLY A 51 -5.142 -15.390 2.052 1.00 0.00 O ATOM 0 H GLY A 51 -2.315 -14.927 4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.547 -15.080 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.006 -16.767 2.811 1.00 0.00 H new ATOM 787 N ASP A 52 -5.289 -15.052 4.269 1.00 0.00 N ATOM 788 CA ASP A 52 -6.611 -14.414 4.212 1.00 0.00 C ATOM 789 C ASP A 52 -6.437 -13.030 3.587 1.00 0.00 C ATOM 790 O ASP A 52 -5.405 -12.395 3.807 1.00 0.00 O ATOM 791 CB ASP A 52 -7.211 -14.176 5.604 1.00 0.00 C ATOM 792 CG ASP A 52 -7.458 -15.415 6.452 1.00 0.00 C ATOM 793 OD1 ASP A 52 -8.176 -16.327 5.978 1.00 0.00 O ATOM 794 OD2 ASP A 52 -6.967 -15.431 7.602 1.00 0.00 O ATOM 0 H ASP A 52 -4.939 -15.206 5.215 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.268 -15.074 3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.545 -13.512 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.158 -13.650 5.483 1.00 0.00 H new ATOM 799 N ASP A 53 -7.438 -12.490 2.899 1.00 0.00 N ATOM 800 CA ASP A 53 -7.405 -11.107 2.424 1.00 0.00 C ATOM 801 C ASP A 53 -7.665 -10.213 3.636 1.00 0.00 C ATOM 802 O ASP A 53 -8.668 -10.393 4.337 1.00 0.00 O ATOM 803 CB ASP A 53 -8.462 -10.820 1.344 1.00 0.00 C ATOM 804 CG ASP A 53 -8.245 -11.553 0.022 1.00 0.00 C ATOM 805 OD1 ASP A 53 -8.307 -12.797 -0.007 1.00 0.00 O ATOM 806 OD2 ASP A 53 -8.016 -10.908 -1.030 1.00 0.00 O ATOM 0 H ASP A 53 -8.291 -12.993 2.655 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.435 -10.915 1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.443 -11.089 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.480 -9.748 1.150 1.00 0.00 H new ATOM 811 N ARG A 54 -6.793 -9.237 3.917 1.00 0.00 N ATOM 812 CA ARG A 54 -7.083 -8.259 4.975 1.00 0.00 C ATOM 813 C ARG A 54 -8.307 -7.390 4.644 1.00 0.00 C ATOM 814 O ARG A 54 -8.831 -6.749 5.554 1.00 0.00 O ATOM 815 CB ARG A 54 -5.849 -7.402 5.332 1.00 0.00 C ATOM 816 CG ARG A 54 -4.859 -8.209 6.189 1.00 0.00 C ATOM 817 CD ARG A 54 -3.933 -7.347 7.059 1.00 0.00 C ATOM 818 NE ARG A 54 -3.463 -8.098 8.241 1.00 0.00 N ATOM 819 CZ ARG A 54 -2.264 -8.647 8.471 1.00 0.00 C ATOM 820 NH1 ARG A 54 -1.256 -8.491 7.627 1.00 0.00 N ATOM 821 NH2 ARG A 54 -2.078 -9.399 9.544 1.00 0.00 N ATOM 0 H ARG A 54 -5.901 -9.103 3.440 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.336 -8.834 5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.357 -7.065 4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.163 -6.510 5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.421 -8.884 6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.249 -8.829 5.532 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.077 -7.018 6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.462 -6.450 7.381 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.149 -8.215 8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.383 -7.941 6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.353 -8.920 7.827 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.848 -9.559 10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.165 -9.818 9.721 1.00 0.00 H new ATOM 835 N TYR A 55 -8.822 -7.379 3.404 1.00 0.00 N ATOM 836 CA TYR A 55 -10.035 -6.648 3.055 1.00 0.00 C ATOM 837 C TYR A 55 -10.887 -7.484 2.103 1.00 0.00 C ATOM 838 O TYR A 55 -10.355 -8.171 1.231 1.00 0.00 O ATOM 839 CB TYR A 55 -9.656 -5.307 2.422 1.00 0.00 C ATOM 840 CG TYR A 55 -8.685 -4.490 3.260 1.00 0.00 C ATOM 841 CD1 TYR A 55 -7.302 -4.712 3.116 1.00 0.00 C ATOM 842 CD2 TYR A 55 -9.146 -3.588 4.240 1.00 0.00 C ATOM 843 CE1 TYR A 55 -6.383 -4.044 3.934 1.00 0.00 C ATOM 844 CE2 TYR A 55 -8.227 -2.879 5.037 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.840 -3.096 4.874 1.00 0.00 C ATOM 846 OH TYR A 55 -5.940 -2.371 5.582 1.00 0.00 O ATOM 0 H TYR A 55 -8.403 -7.879 2.620 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.622 -6.454 3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.213 -5.489 1.443 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.562 -4.723 2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.947 -5.404 2.367 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.207 -3.440 4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.327 -4.254 3.846 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.581 -2.171 5.771 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.413 -1.762 6.186 1.00 0.00 H new ATOM 856 N ASN A 56 -12.212 -7.425 2.252 1.00 0.00 N ATOM 857 CA ASN A 56 -13.177 -7.881 1.254 1.00 0.00 C ATOM 858 C ASN A 56 -14.080 -6.741 0.810 1.00 0.00 C ATOM 859 O ASN A 56 -13.955 -5.619 1.304 1.00 0.00 O ATOM 860 CB ASN A 56 -14.026 -9.063 1.738 1.00 0.00 C ATOM 861 CG ASN A 56 -15.002 -8.739 2.859 1.00 0.00 C ATOM 862 OD1 ASN A 56 -14.825 -7.807 3.636 1.00 0.00 O ATOM 863 ND2 ASN A 56 -16.080 -9.492 2.939 1.00 0.00 N ATOM 0 H ASN A 56 -12.653 -7.049 3.092 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.591 -8.231 0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.587 -9.458 0.891 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.359 -9.856 2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -16.782 -9.303 3.655 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -16.213 -10.264 2.285 1.00 0.00 H new ATOM 870 N GLN A 57 -15.041 -7.042 -0.073 1.00 0.00 N ATOM 871 CA GLN A 57 -15.946 -6.055 -0.643 1.00 0.00 C ATOM 872 C GLN A 57 -16.690 -5.228 0.410 1.00 0.00 C ATOM 873 O GLN A 57 -17.035 -4.083 0.143 1.00 0.00 O ATOM 874 CB GLN A 57 -16.949 -6.693 -1.621 1.00 0.00 C ATOM 875 CG GLN A 57 -16.316 -7.079 -2.964 1.00 0.00 C ATOM 876 CD GLN A 57 -15.914 -5.848 -3.780 1.00 0.00 C ATOM 877 OE1 GLN A 57 -14.814 -5.330 -3.630 1.00 0.00 O ATOM 878 NE2 GLN A 57 -16.777 -5.326 -4.638 1.00 0.00 N ATOM 0 H GLN A 57 -15.208 -7.990 -0.411 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.305 -5.368 -1.195 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.381 -7.582 -1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.768 -5.996 -1.799 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.438 -7.700 -2.786 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.021 -7.681 -3.538 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.693 -5.756 -4.765 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.525 -4.494 -5.172 1.00 0.00 H new ATOM 887 N PHE A 58 -16.919 -5.782 1.601 1.00 0.00 N ATOM 888 CA PHE A 58 -17.515 -5.075 2.736 1.00 0.00 C ATOM 889 C PHE A 58 -16.680 -3.846 3.116 1.00 0.00 C ATOM 890 O PHE A 58 -17.213 -2.760 3.347 1.00 0.00 O ATOM 891 CB PHE A 58 -17.629 -6.054 3.918 1.00 0.00 C ATOM 892 CG PHE A 58 -18.545 -5.625 5.046 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.924 -5.463 4.809 1.00 0.00 C ATOM 894 CD2 PHE A 58 -18.040 -5.463 6.352 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.794 -5.153 5.867 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.912 -5.147 7.408 1.00 0.00 C ATOM 897 CZ PHE A 58 -20.289 -5.003 7.170 1.00 0.00 C ATOM 0 H PHE A 58 -16.691 -6.754 1.808 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.507 -4.716 2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.978 -7.014 3.537 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.632 -6.217 4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.314 -5.578 3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.983 -5.582 6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.850 -5.030 5.679 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.522 -5.014 8.406 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.958 -4.777 7.987 1.00 0.00 H new ATOM 907 N HIS A 59 -15.356 -4.000 3.170 1.00 0.00 N ATOM 908 CA HIS A 59 -14.448 -2.925 3.531 1.00 0.00 C ATOM 909 C HIS A 59 -14.190 -2.050 2.310 1.00 0.00 C ATOM 910 O HIS A 59 -14.137 -0.831 2.433 1.00 0.00 O ATOM 911 CB HIS A 59 -13.171 -3.500 4.157 1.00 0.00 C ATOM 912 CG HIS A 59 -13.454 -4.350 5.379 1.00 0.00 C ATOM 913 ND1 HIS A 59 -12.697 -5.409 5.841 1.00 0.00 N ATOM 914 CD2 HIS A 59 -14.554 -4.245 6.194 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.355 -5.941 6.884 1.00 0.00 C ATOM 916 NE2 HIS A 59 -14.504 -5.289 7.120 1.00 0.00 N ATOM 0 H HIS A 59 -14.887 -4.882 2.962 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.894 -2.284 4.291 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.645 -4.101 3.415 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.506 -2.682 4.434 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.322 -3.489 6.130 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.004 -6.785 7.459 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -15.200 -5.511 7.832 1.00 0.00 H new ATOM 924 N ILE A 60 -14.144 -2.627 1.108 1.00 0.00 N ATOM 925 CA ILE A 60 -14.015 -1.841 -0.111 1.00 0.00 C ATOM 926 C ILE A 60 -15.187 -0.863 -0.227 1.00 0.00 C ATOM 927 O ILE A 60 -14.941 0.317 -0.432 1.00 0.00 O ATOM 928 CB ILE A 60 -13.846 -2.763 -1.335 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.575 -3.637 -1.213 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.845 -1.992 -2.661 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.243 -2.883 -1.281 1.00 0.00 C ATOM 0 H ILE A 60 -14.194 -3.635 0.957 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.110 -1.235 -0.071 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.717 -3.418 -1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.618 -4.178 -0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.591 -4.382 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.723 -2.691 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.789 -1.459 -2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.022 -1.277 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.419 -3.590 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.167 -2.364 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.194 -2.157 -0.469 1.00 0.00 H new ATOM 943 N ARG A 61 -16.441 -1.290 -0.034 1.00 0.00 N ATOM 944 CA ARG A 61 -17.608 -0.403 -0.001 1.00 0.00 C ATOM 945 C ARG A 61 -17.433 0.731 1.003 1.00 0.00 C ATOM 946 O ARG A 61 -17.813 1.866 0.727 1.00 0.00 O ATOM 947 CB ARG A 61 -18.844 -1.211 0.406 1.00 0.00 C ATOM 948 CG ARG A 61 -19.566 -1.876 -0.762 1.00 0.00 C ATOM 949 CD ARG A 61 -20.308 -0.839 -1.626 1.00 0.00 C ATOM 950 NE ARG A 61 -21.628 -1.311 -2.082 1.00 0.00 N ATOM 951 CZ ARG A 61 -21.908 -2.402 -2.802 1.00 0.00 C ATOM 952 NH1 ARG A 61 -20.946 -3.138 -3.340 1.00 0.00 N ATOM 953 NH2 ARG A 61 -23.172 -2.750 -2.991 1.00 0.00 N ATOM 0 H ARG A 61 -16.675 -2.273 0.105 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.723 0.026 -0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.544 -1.979 1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.542 -0.552 0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.846 -2.416 -1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -20.276 -2.611 -0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -20.434 0.080 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.696 -0.592 -2.494 1.00 0.00 H new ATOM 0 HE ARG A 61 -22.426 -0.734 -1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.969 -2.876 -3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.183 -3.967 -3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.922 -2.187 -2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.396 -3.581 -3.539 1.00 0.00 H new ATOM 967 N ARG A 62 -16.895 0.439 2.186 1.00 0.00 N ATOM 968 CA ARG A 62 -16.571 1.430 3.195 1.00 0.00 C ATOM 969 C ARG A 62 -15.625 2.483 2.636 1.00 0.00 C ATOM 970 O ARG A 62 -15.920 3.674 2.743 1.00 0.00 O ATOM 971 CB ARG A 62 -15.952 0.702 4.395 1.00 0.00 C ATOM 972 CG ARG A 62 -16.899 0.563 5.567 1.00 0.00 C ATOM 973 CD ARG A 62 -17.114 1.939 6.177 1.00 0.00 C ATOM 974 NE ARG A 62 -17.628 1.865 7.544 1.00 0.00 N ATOM 975 CZ ARG A 62 -17.405 2.784 8.489 1.00 0.00 C ATOM 976 NH1 ARG A 62 -16.696 3.878 8.218 1.00 0.00 N ATOM 977 NH2 ARG A 62 -17.899 2.603 9.703 1.00 0.00 N ATOM 0 H ARG A 62 -16.670 -0.515 2.470 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.473 1.954 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.627 -0.290 4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.062 1.242 4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.849 0.141 5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.486 -0.120 6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -16.171 2.487 6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -17.812 2.503 5.559 1.00 0.00 H new ATOM 0 HE ARG A 62 -18.196 1.056 7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.317 4.021 7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.532 4.573 8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -18.445 1.767 9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.734 3.299 10.430 1.00 0.00 H new ATOM 991 N PHE A 63 -14.510 2.057 2.047 1.00 0.00 N ATOM 992 CA PHE A 63 -13.576 2.980 1.410 1.00 0.00 C ATOM 993 C PHE A 63 -14.205 3.709 0.210 1.00 0.00 C ATOM 994 O PHE A 63 -13.949 4.890 0.011 1.00 0.00 O ATOM 995 CB PHE A 63 -12.291 2.246 1.021 1.00 0.00 C ATOM 996 CG PHE A 63 -11.397 1.898 2.197 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.587 2.878 2.796 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.342 0.581 2.682 1.00 0.00 C ATOM 999 CE1 PHE A 63 -9.757 2.542 3.878 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.487 0.237 3.742 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.682 1.219 4.338 1.00 0.00 C ATOM 0 H PHE A 63 -14.232 1.077 1.998 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.323 3.754 2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.554 1.329 0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.729 2.865 0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.603 3.892 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.966 -0.178 2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.171 3.310 4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.449 -0.782 4.098 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.011 0.959 5.143 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.074 3.072 -0.569 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.828 3.709 -1.643 1.00 0.00 C ATOM 1013 C GLU A 64 -16.679 4.838 -1.064 1.00 0.00 C ATOM 1014 O GLU A 64 -16.689 5.930 -1.616 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.717 2.715 -2.413 1.00 0.00 C ATOM 1016 CG GLU A 64 -15.943 1.718 -3.289 1.00 0.00 C ATOM 1017 CD GLU A 64 -16.809 0.758 -4.108 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -18.045 0.693 -3.928 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -16.242 0.020 -4.952 1.00 0.00 O ATOM 0 H GLU A 64 -15.278 2.078 -0.469 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.110 4.108 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.322 2.158 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.406 3.276 -3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.305 2.279 -3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.285 1.131 -2.648 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.362 4.639 0.067 1.00 0.00 N ATOM 1027 CA ALA A 65 -18.161 5.699 0.679 1.00 0.00 C ATOM 1028 C ALA A 65 -17.324 6.955 0.985 1.00 0.00 C ATOM 1029 O ALA A 65 -17.874 8.058 1.017 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.871 5.171 1.929 1.00 0.00 C ATOM 0 H ALA A 65 -17.376 3.755 0.575 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.919 6.007 -0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.463 5.970 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.526 4.344 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.130 4.822 2.648 1.00 0.00 H new ATOM 1036 N LEU A 66 -16.004 6.816 1.159 1.00 0.00 N ATOM 1037 CA LEU A 66 -15.082 7.936 1.278 1.00 0.00 C ATOM 1038 C LEU A 66 -15.017 8.687 -0.036 1.00 0.00 C ATOM 1039 O LEU A 66 -15.441 9.836 -0.066 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.681 7.485 1.708 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.692 6.693 3.020 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.286 6.160 3.243 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -14.144 7.587 4.188 1.00 0.00 C ATOM 0 H LEU A 66 -15.547 5.906 1.221 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.459 8.598 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.244 6.870 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.041 8.360 1.822 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.399 5.865 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.256 5.589 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.005 5.514 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.587 6.994 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.145 7.007 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.458 8.428 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.149 7.960 3.993 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.534 8.068 -1.117 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.350 8.738 -2.402 1.00 0.00 C ATOM 1057 C LEU A 67 -15.672 9.286 -2.944 1.00 0.00 C ATOM 1058 O LEU A 67 -15.699 10.371 -3.525 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.622 7.795 -3.376 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.480 6.757 -4.125 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -15.073 7.283 -5.442 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.652 5.520 -4.443 1.00 0.00 C ATOM 0 H LEU A 67 -14.260 7.086 -1.123 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.715 9.614 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.108 8.407 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.855 7.259 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.307 6.522 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.664 6.498 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.710 8.143 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.266 7.581 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.270 4.795 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.805 5.800 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.287 5.078 -3.516 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.780 8.580 -2.705 1.00 0.00 N ATOM 1075 CA GLN A 68 -18.125 8.962 -3.124 1.00 0.00 C ATOM 1076 C GLN A 68 -18.632 10.198 -2.361 1.00 0.00 C ATOM 1077 O GLN A 68 -19.649 10.785 -2.747 1.00 0.00 O ATOM 1078 CB GLN A 68 -19.075 7.763 -2.919 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.735 6.504 -3.750 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.144 6.601 -5.210 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -18.822 7.565 -5.884 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -19.794 5.587 -5.767 1.00 0.00 N ATOM 0 H GLN A 68 -16.761 7.696 -2.196 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.098 9.233 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.071 7.494 -1.863 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -20.089 8.078 -3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.662 6.323 -3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.227 5.641 -3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.063 4.781 -5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -20.025 5.613 -6.760 1.00 0.00 H new ATOM 1091 N THR A 69 -17.942 10.612 -1.292 1.00 0.00 N ATOM 1092 CA THR A 69 -18.234 11.816 -0.521 1.00 0.00 C ATOM 1093 C THR A 69 -17.033 12.772 -0.454 1.00 0.00 C ATOM 1094 O THR A 69 -17.180 13.897 0.025 1.00 0.00 O ATOM 1095 CB THR A 69 -18.802 11.429 0.856 1.00 0.00 C ATOM 1096 OG1 THR A 69 -17.893 10.695 1.650 1.00 0.00 O ATOM 1097 CG2 THR A 69 -20.078 10.593 0.720 1.00 0.00 C ATOM 0 H THR A 69 -17.139 10.097 -0.931 1.00 0.00 H new ATOM 0 HA THR A 69 -19.005 12.388 -1.037 1.00 0.00 H new ATOM 0 HB THR A 69 -19.011 12.379 1.348 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.920 9.751 1.389 1.00 0.00 H new ATOM 0 HG21 THR A 69 -20.453 10.337 1.711 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.834 11.167 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.857 9.679 0.168 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.875 12.345 -0.964 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.693 13.137 -1.248 1.00 0.00 C ATOM 1107 C GLY A 70 -13.493 12.896 -0.335 1.00 0.00 C ATOM 1108 O GLY A 70 -12.489 13.581 -0.517 1.00 0.00 O ATOM 0 H GLY A 70 -15.737 11.363 -1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -14.388 12.943 -2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.963 14.191 -1.190 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.546 12.010 0.668 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.341 11.728 1.467 1.00 0.00 C ATOM 1114 C LYS A 71 -11.458 10.775 0.674 1.00 0.00 C ATOM 1115 O LYS A 71 -11.962 10.067 -0.196 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.643 11.170 2.867 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.602 12.042 3.678 1.00 0.00 C ATOM 1118 CD LYS A 71 -15.076 11.701 3.412 1.00 0.00 C ATOM 1119 CE LYS A 71 -15.842 12.895 2.849 1.00 0.00 C ATOM 1120 NZ LYS A 71 -16.096 13.945 3.855 1.00 0.00 N ATOM 0 H LYS A 71 -14.380 11.490 0.942 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.827 12.672 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.069 10.172 2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.708 11.064 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.390 11.919 4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.426 13.090 3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.136 10.868 2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.546 11.372 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.278 13.323 2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.793 12.551 2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.619 14.729 3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.658 13.549 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.190 14.298 4.225 1.00 0.00 H new ATOM 1134 N SER A 72 -10.163 10.733 0.976 1.00 0.00 N ATOM 1135 CA SER A 72 -9.225 9.922 0.229 1.00 0.00 C ATOM 1136 C SER A 72 -9.206 8.522 0.837 1.00 0.00 C ATOM 1137 O SER A 72 -8.697 8.345 1.949 1.00 0.00 O ATOM 1138 CB SER A 72 -7.838 10.565 0.259 1.00 0.00 C ATOM 1139 OG SER A 72 -7.055 10.024 -0.786 1.00 0.00 O ATOM 0 H SER A 72 -9.743 11.259 1.742 1.00 0.00 H new ATOM 0 HA SER A 72 -9.529 9.851 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.922 11.646 0.145 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.359 10.382 1.221 1.00 0.00 H new ATOM 0 HG SER A 72 -7.044 10.647 -1.543 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.701 7.499 0.122 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.609 6.130 0.597 1.00 0.00 C ATOM 1147 C PRO A 73 -8.153 5.689 0.726 1.00 0.00 C ATOM 1148 O PRO A 73 -7.859 4.883 1.597 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.378 5.294 -0.424 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.229 6.105 -1.709 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.249 7.542 -1.228 1.00 0.00 C ATOM 0 HA PRO A 73 -10.032 6.013 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.957 4.294 -0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.424 5.173 -0.142 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.299 5.868 -2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.042 5.904 -2.406 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.651 8.183 -1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.262 7.944 -1.229 1.00 0.00 H new ATOM 1159 N THR A 74 -7.239 6.244 -0.076 1.00 0.00 N ATOM 1160 CA THR A 74 -5.811 6.001 0.049 1.00 0.00 C ATOM 1161 C THR A 74 -5.324 6.374 1.446 1.00 0.00 C ATOM 1162 O THR A 74 -4.654 5.570 2.087 1.00 0.00 O ATOM 1163 CB THR A 74 -5.051 6.830 -0.997 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.536 6.564 -2.296 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.543 6.552 -0.910 1.00 0.00 C ATOM 0 H THR A 74 -7.479 6.880 -0.836 1.00 0.00 H new ATOM 0 HA THR A 74 -5.623 4.940 -0.117 1.00 0.00 H new ATOM 0 HB THR A 74 -5.218 7.886 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.288 7.299 -2.895 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.020 7.147 -1.658 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.181 6.817 0.083 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.357 5.494 -1.093 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.598 7.605 1.890 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.050 8.103 3.137 1.00 0.00 C ATOM 1175 C CYS A 75 -5.570 7.244 4.281 1.00 0.00 C ATOM 1176 O CYS A 75 -4.785 6.797 5.113 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.439 9.582 3.313 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.812 10.242 4.881 1.00 0.00 S ATOM 0 H CYS A 75 -6.197 8.268 1.398 1.00 0.00 H new ATOM 0 HA CYS A 75 -3.962 8.044 3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.041 10.167 2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.524 9.682 3.281 1.00 0.00 H new ATOM 0 HG CYS A 75 -5.156 11.490 4.995 1.00 0.00 H new ATOM 1184 N GLU A 76 -6.881 7.016 4.320 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.494 6.197 5.349 1.00 0.00 C ATOM 1186 C GLU A 76 -6.913 4.786 5.345 1.00 0.00 C ATOM 1187 O GLU A 76 -6.637 4.261 6.423 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.009 6.138 5.111 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.751 7.429 5.504 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.667 7.822 6.979 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -9.431 6.957 7.856 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -9.928 9.008 7.283 1.00 0.00 O ATOM 0 H GLU A 76 -7.541 7.394 3.640 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.288 6.644 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.194 5.930 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.424 5.305 5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.355 8.250 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.802 7.318 5.236 1.00 0.00 H new ATOM 1199 N LEU A 77 -6.750 4.180 4.162 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.303 2.801 4.002 1.00 0.00 C ATOM 1201 C LEU A 77 -4.887 2.661 4.529 1.00 0.00 C ATOM 1202 O LEU A 77 -4.601 1.788 5.339 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.352 2.402 2.511 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.729 1.037 2.144 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.467 -0.118 2.817 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.726 0.891 0.620 1.00 0.00 C ATOM 0 H LEU A 77 -6.930 4.649 3.274 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.963 2.141 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.394 2.398 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.845 3.175 1.934 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.704 1.000 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.000 -1.062 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.419 0.001 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.509 -0.119 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.288 -0.069 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.749 0.942 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.138 1.696 0.179 1.00 0.00 H new ATOM 1218 N LEU A 78 -3.994 3.515 4.033 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.585 3.511 4.364 1.00 0.00 C ATOM 1220 C LEU A 78 -2.394 3.729 5.866 1.00 0.00 C ATOM 1221 O LEU A 78 -1.553 3.069 6.476 1.00 0.00 O ATOM 1222 CB LEU A 78 -1.876 4.604 3.540 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.621 4.232 2.061 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.882 5.391 1.383 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -0.792 2.953 1.865 1.00 0.00 C ATOM 0 H LEU A 78 -4.247 4.248 3.370 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.145 2.545 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.477 5.513 3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.921 4.835 4.013 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.600 4.044 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.695 5.142 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.492 6.293 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.067 5.563 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.660 2.765 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.184 3.076 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.311 2.110 2.321 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.156 4.649 6.467 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.038 4.944 7.887 1.00 0.00 C ATOM 1239 C PHE A 79 -3.502 3.748 8.727 1.00 0.00 C ATOM 1240 O PHE A 79 -2.830 3.373 9.693 1.00 0.00 O ATOM 1241 CB PHE A 79 -3.850 6.204 8.227 1.00 0.00 C ATOM 1242 CG PHE A 79 -3.467 6.961 9.491 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -2.432 6.545 10.359 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -4.183 8.132 9.793 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -2.140 7.282 11.519 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -3.888 8.870 10.949 1.00 0.00 C ATOM 1247 CZ PHE A 79 -2.873 8.440 11.818 1.00 0.00 C ATOM 0 H PHE A 79 -3.863 5.202 5.983 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.991 5.131 8.125 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.773 6.892 7.385 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.898 5.918 8.310 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.863 5.656 10.129 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.967 8.467 9.130 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.351 6.957 12.181 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.442 9.770 11.171 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.657 9.000 12.716 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.639 3.154 8.357 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.261 2.032 9.056 1.00 0.00 C ATOM 1259 C ASP A 80 -4.362 0.808 8.983 1.00 0.00 C ATOM 1260 O ASP A 80 -4.044 0.179 9.985 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.614 1.718 8.411 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.466 0.820 9.294 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.721 1.220 10.451 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -7.994 -0.199 8.791 1.00 0.00 O ATOM 0 H ASP A 80 -5.167 3.452 7.537 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.408 2.299 10.102 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.148 2.648 8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.454 1.234 7.448 1.00 0.00 H new ATOM 1269 N TRP A 81 -3.855 0.515 7.791 1.00 0.00 N ATOM 1270 CA TRP A 81 -2.949 -0.591 7.540 1.00 0.00 C ATOM 1271 C TRP A 81 -1.649 -0.479 8.342 1.00 0.00 C ATOM 1272 O TRP A 81 -1.056 -1.473 8.762 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.661 -0.591 6.048 1.00 0.00 C ATOM 1274 CG TRP A 81 -1.831 -1.735 5.585 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -1.916 -3.008 6.027 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.752 -1.716 4.619 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -0.894 -3.748 5.475 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.128 -2.996 4.616 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.261 -0.741 3.734 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.982 -3.280 3.815 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.839 -1.025 2.909 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.463 -2.285 2.956 1.00 0.00 C ATOM 0 H TRP A 81 -4.070 1.056 6.954 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.412 -1.525 7.859 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.607 -0.601 5.507 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.155 0.339 5.787 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.666 -3.386 6.706 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.726 -4.733 5.679 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.731 0.230 3.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.459 -4.248 3.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 1.209 -0.269 2.232 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.317 -2.486 2.326 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.237 0.750 8.635 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.152 1.057 9.542 1.00 0.00 C ATOM 1295 C GLY A 82 -0.338 0.426 10.916 1.00 0.00 C ATOM 1296 O GLY A 82 0.644 0.104 11.583 1.00 0.00 O ATOM 0 H GLY A 82 -1.667 1.582 8.231 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.786 0.708 9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.070 2.138 9.651 1.00 0.00 H new ATOM 1300 N THR A 83 -1.580 0.231 11.332 1.00 0.00 N ATOM 1301 CA THR A 83 -2.005 -0.312 12.605 1.00 0.00 C ATOM 1302 C THR A 83 -2.150 -1.850 12.531 1.00 0.00 C ATOM 1303 O THR A 83 -2.082 -2.518 13.563 1.00 0.00 O ATOM 1304 CB THR A 83 -3.271 0.492 12.975 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.017 1.299 14.105 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.556 -0.304 13.082 1.00 0.00 C ATOM 0 H THR A 83 -2.376 0.468 10.739 1.00 0.00 H new ATOM 0 HA THR A 83 -1.279 -0.196 13.410 1.00 0.00 H new ATOM 0 HB THR A 83 -3.476 1.135 12.119 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.824 1.807 14.332 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.376 0.363 13.346 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.770 -0.781 12.125 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.448 -1.068 13.852 1.00 0.00 H new ATOM 1314 N THR A 84 -2.210 -2.433 11.327 1.00 0.00 N ATOM 1315 CA THR A 84 -1.872 -3.836 11.053 1.00 0.00 C ATOM 1316 C THR A 84 -0.341 -4.077 11.182 1.00 0.00 C ATOM 1317 O THR A 84 0.125 -5.222 11.165 1.00 0.00 O ATOM 1318 CB THR A 84 -2.495 -4.210 9.681 1.00 0.00 C ATOM 1319 OG1 THR A 84 -3.695 -4.929 9.868 1.00 0.00 O ATOM 1320 CG2 THR A 84 -1.656 -5.079 8.746 1.00 0.00 C ATOM 0 H THR A 84 -2.504 -1.927 10.492 1.00 0.00 H new ATOM 0 HA THR A 84 -2.298 -4.511 11.795 1.00 0.00 H new ATOM 0 HB THR A 84 -2.612 -3.234 9.210 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.160 -5.019 9.010 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.210 -5.264 7.826 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.724 -4.566 8.511 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.435 -6.029 9.233 1.00 0.00 H new ATOM 1328 N ASN A 85 0.454 -3.020 11.402 1.00 0.00 N ATOM 1329 CA ASN A 85 1.884 -3.038 11.722 1.00 0.00 C ATOM 1330 C ASN A 85 2.723 -3.396 10.491 1.00 0.00 C ATOM 1331 O ASN A 85 3.528 -4.327 10.546 1.00 0.00 O ATOM 1332 CB ASN A 85 2.225 -3.939 12.935 1.00 0.00 C ATOM 1333 CG ASN A 85 1.435 -3.664 14.207 1.00 0.00 C ATOM 1334 OD1 ASN A 85 0.691 -4.519 14.677 1.00 0.00 O ATOM 1335 ND2 ASN A 85 1.594 -2.494 14.801 1.00 0.00 N ATOM 0 H ASN A 85 0.089 -2.069 11.358 1.00 0.00 H new ATOM 0 HA ASN A 85 2.147 -2.024 12.023 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.065 -4.978 12.648 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.286 -3.830 13.158 1.00 0.00 H new ATOM 0 HD21 ASN A 85 1.094 -2.289 15.666 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.217 -1.796 14.395 1.00 0.00 H new ATOM 1342 N CYS A 86 2.558 -2.659 9.387 1.00 0.00 N ATOM 1343 CA CYS A 86 3.312 -2.870 8.147 1.00 0.00 C ATOM 1344 C CYS A 86 4.082 -1.619 7.716 1.00 0.00 C ATOM 1345 O CYS A 86 3.966 -0.558 8.344 1.00 0.00 O ATOM 1346 CB CYS A 86 2.373 -3.383 7.051 1.00 0.00 C ATOM 1347 SG CYS A 86 1.887 -5.072 7.482 1.00 0.00 S ATOM 0 H CYS A 86 1.890 -1.891 9.329 1.00 0.00 H new ATOM 0 HA CYS A 86 4.071 -3.631 8.331 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.495 -2.742 6.970 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.872 -3.365 6.082 1.00 0.00 H new ATOM 0 HG CYS A 86 1.086 -5.539 6.571 1.00 0.00 H new ATOM 1353 N THR A 87 4.913 -1.763 6.680 1.00 0.00 N ATOM 1354 CA THR A 87 5.969 -0.816 6.355 1.00 0.00 C ATOM 1355 C THR A 87 5.988 -0.362 4.887 1.00 0.00 C ATOM 1356 O THR A 87 5.289 -0.906 4.031 1.00 0.00 O ATOM 1357 CB THR A 87 7.307 -1.463 6.752 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.468 -2.629 5.970 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.403 -1.854 8.228 1.00 0.00 C ATOM 0 H THR A 87 4.866 -2.554 6.038 1.00 0.00 H new ATOM 0 HA THR A 87 5.784 0.101 6.915 1.00 0.00 H new ATOM 0 HB THR A 87 8.086 -0.721 6.580 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.316 -3.063 6.201 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.377 -2.303 8.423 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.282 -0.966 8.848 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.619 -2.572 8.466 1.00 0.00 H new ATOM 1367 N VAL A 88 6.831 0.628 4.586 1.00 0.00 N ATOM 1368 CA VAL A 88 7.036 1.186 3.254 1.00 0.00 C ATOM 1369 C VAL A 88 7.504 0.093 2.287 1.00 0.00 C ATOM 1370 O VAL A 88 7.112 0.096 1.121 1.00 0.00 O ATOM 1371 CB VAL A 88 8.108 2.296 3.352 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.712 2.699 1.998 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.522 3.556 3.983 1.00 0.00 C ATOM 0 H VAL A 88 7.411 1.079 5.294 1.00 0.00 H new ATOM 0 HA VAL A 88 6.100 1.598 2.877 1.00 0.00 H new ATOM 0 HB VAL A 88 8.900 1.868 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.455 3.482 2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.187 1.832 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.923 3.070 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.292 4.325 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.695 3.918 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.160 3.326 4.985 1.00 0.00 H new ATOM 1383 N GLY A 89 8.387 -0.796 2.743 1.00 0.00 N ATOM 1384 CA GLY A 89 8.939 -1.839 1.903 1.00 0.00 C ATOM 1385 C GLY A 89 7.888 -2.897 1.624 1.00 0.00 C ATOM 1386 O GLY A 89 7.880 -3.442 0.521 1.00 0.00 O ATOM 0 H GLY A 89 8.733 -0.807 3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.293 -1.411 0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.801 -2.292 2.392 1.00 0.00 H new ATOM 1390 N ASP A 90 6.989 -3.142 2.584 1.00 0.00 N ATOM 1391 CA ASP A 90 5.805 -3.964 2.362 1.00 0.00 C ATOM 1392 C ASP A 90 5.001 -3.339 1.216 1.00 0.00 C ATOM 1393 O ASP A 90 4.749 -3.998 0.206 1.00 0.00 O ATOM 1394 CB ASP A 90 4.975 -4.092 3.657 1.00 0.00 C ATOM 1395 CG ASP A 90 4.266 -5.440 3.770 1.00 0.00 C ATOM 1396 OD1 ASP A 90 3.383 -5.741 2.936 1.00 0.00 O ATOM 1397 OD2 ASP A 90 4.593 -6.196 4.711 1.00 0.00 O ATOM 0 H ASP A 90 7.066 -2.775 3.533 1.00 0.00 H new ATOM 0 HA ASP A 90 6.091 -4.978 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.629 -3.957 4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.235 -3.293 3.690 1.00 0.00 H new ATOM 1402 N LEU A 91 4.671 -2.044 1.359 1.00 0.00 N ATOM 1403 CA LEU A 91 3.863 -1.230 0.448 1.00 0.00 C ATOM 1404 C LEU A 91 4.390 -1.289 -0.984 1.00 0.00 C ATOM 1405 O LEU A 91 3.650 -1.700 -1.870 1.00 0.00 O ATOM 1406 CB LEU A 91 3.765 0.212 0.988 1.00 0.00 C ATOM 1407 CG LEU A 91 3.031 1.224 0.086 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.654 0.795 -0.443 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.857 2.531 0.872 1.00 0.00 C ATOM 0 H LEU A 91 4.984 -1.507 2.168 1.00 0.00 H new ATOM 0 HA LEU A 91 2.855 -1.642 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.260 0.183 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.775 0.581 1.167 1.00 0.00 H new ATOM 0 HG LEU A 91 3.659 1.323 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.239 1.589 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.759 -0.113 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.985 0.604 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.339 3.262 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.272 2.339 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.836 2.921 1.151 1.00 0.00 H new ATOM 1421 N VAL A 92 5.634 -0.874 -1.229 1.00 0.00 N ATOM 1422 CA VAL A 92 6.280 -0.915 -2.540 1.00 0.00 C ATOM 1423 C VAL A 92 6.097 -2.282 -3.204 1.00 0.00 C ATOM 1424 O VAL A 92 5.758 -2.342 -4.384 1.00 0.00 O ATOM 1425 CB VAL A 92 7.765 -0.562 -2.349 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.699 -1.094 -3.438 1.00 0.00 C ATOM 1427 CG2 VAL A 92 7.972 0.936 -2.142 1.00 0.00 C ATOM 0 H VAL A 92 6.236 -0.490 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 92 5.819 -0.190 -3.210 1.00 0.00 H new ATOM 0 HB VAL A 92 8.050 -1.088 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.723 -0.795 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.638 -2.182 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.402 -0.685 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.034 1.142 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.602 1.478 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.428 1.259 -1.255 1.00 0.00 H new ATOM 1437 N ASP A 93 6.339 -3.363 -2.465 1.00 0.00 N ATOM 1438 CA ASP A 93 6.356 -4.724 -3.004 1.00 0.00 C ATOM 1439 C ASP A 93 5.034 -5.059 -3.696 1.00 0.00 C ATOM 1440 O ASP A 93 5.001 -5.636 -4.790 1.00 0.00 O ATOM 1441 CB ASP A 93 6.582 -5.731 -1.873 1.00 0.00 C ATOM 1442 CG ASP A 93 7.371 -6.939 -2.370 1.00 0.00 C ATOM 1443 OD1 ASP A 93 8.571 -6.793 -2.705 1.00 0.00 O ATOM 1444 OD2 ASP A 93 6.813 -8.054 -2.444 1.00 0.00 O ATOM 0 H ASP A 93 6.531 -3.319 -1.464 1.00 0.00 H new ATOM 0 HA ASP A 93 7.166 -4.783 -3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.120 -5.251 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.622 -6.058 -1.474 1.00 0.00 H new ATOM 1449 N LEU A 94 3.946 -4.670 -3.028 1.00 0.00 N ATOM 1450 CA LEU A 94 2.562 -4.802 -3.436 1.00 0.00 C ATOM 1451 C LEU A 94 2.215 -3.780 -4.510 1.00 0.00 C ATOM 1452 O LEU A 94 1.492 -4.116 -5.440 1.00 0.00 O ATOM 1453 CB LEU A 94 1.679 -4.564 -2.205 1.00 0.00 C ATOM 1454 CG LEU A 94 1.835 -5.678 -1.155 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.622 -5.112 0.243 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.842 -6.796 -1.433 1.00 0.00 C ATOM 0 H LEU A 94 4.026 -4.220 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 94 2.398 -5.798 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.936 -3.605 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.636 -4.502 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 94 2.844 -6.085 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.734 -5.908 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.359 -4.333 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.620 -4.690 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.959 -7.581 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.173 -6.401 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.027 -7.209 -2.425 1.00 0.00 H new ATOM 1468 N LEU A 95 2.711 -2.541 -4.410 1.00 0.00 N ATOM 1469 CA LEU A 95 2.468 -1.498 -5.403 1.00 0.00 C ATOM 1470 C LEU A 95 2.957 -1.963 -6.771 1.00 0.00 C ATOM 1471 O LEU A 95 2.251 -1.787 -7.760 1.00 0.00 O ATOM 1472 CB LEU A 95 3.131 -0.162 -5.023 1.00 0.00 C ATOM 1473 CG LEU A 95 2.454 0.626 -3.896 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.295 1.864 -3.573 1.00 0.00 C ATOM 1475 CD2 LEU A 95 1.033 1.062 -4.259 1.00 0.00 C ATOM 0 H LEU A 95 3.295 -2.236 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 95 1.393 -1.321 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.163 -0.361 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.166 0.469 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 95 2.383 -0.033 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.818 2.429 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.291 1.555 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.375 2.491 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.599 1.616 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.062 1.699 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.424 0.182 -4.466 1.00 0.00 H new ATOM 1487 N VAL A 96 4.137 -2.576 -6.844 1.00 0.00 N ATOM 1488 CA VAL A 96 4.648 -3.129 -8.090 1.00 0.00 C ATOM 1489 C VAL A 96 3.774 -4.319 -8.539 1.00 0.00 C ATOM 1490 O VAL A 96 3.522 -4.442 -9.738 1.00 0.00 O ATOM 1491 CB VAL A 96 6.150 -3.454 -7.933 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.770 -3.990 -9.224 1.00 0.00 C ATOM 1493 CG2 VAL A 96 6.977 -2.211 -7.548 1.00 0.00 C ATOM 0 H VAL A 96 4.759 -2.701 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 96 4.581 -2.400 -8.898 1.00 0.00 H new ATOM 0 HB VAL A 96 6.184 -4.207 -7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.826 -4.202 -9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.258 -4.905 -9.521 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.668 -3.245 -10.013 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.026 -2.489 -7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.874 -1.451 -8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.616 -1.813 -6.600 1.00 0.00 H new ATOM 1503 N GLN A 97 3.226 -5.136 -7.623 1.00 0.00 N ATOM 1504 CA GLN A 97 2.322 -6.239 -7.977 1.00 0.00 C ATOM 1505 C GLN A 97 1.020 -5.741 -8.629 1.00 0.00 C ATOM 1506 O GLN A 97 0.383 -6.483 -9.380 1.00 0.00 O ATOM 1507 CB GLN A 97 2.087 -7.194 -6.776 1.00 0.00 C ATOM 1508 CG GLN A 97 0.651 -7.282 -6.216 1.00 0.00 C ATOM 1509 CD GLN A 97 0.396 -8.464 -5.282 1.00 0.00 C ATOM 1510 OE1 GLN A 97 1.296 -9.060 -4.702 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -0.866 -8.824 -5.125 1.00 0.00 N ATOM 0 H GLN A 97 3.398 -5.049 -6.621 1.00 0.00 H new ATOM 0 HA GLN A 97 2.818 -6.834 -8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.395 -8.196 -7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.748 -6.886 -5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.429 -6.359 -5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.046 -7.341 -7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.605 -8.319 -5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -1.101 -9.607 -4.515 1.00 0.00 H new ATOM 1520 N ILE A 98 0.607 -4.499 -8.376 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.579 -3.880 -8.975 1.00 0.00 C ATOM 1522 C ILE A 98 -0.177 -2.901 -10.093 1.00 0.00 C ATOM 1523 O ILE A 98 -0.978 -2.063 -10.521 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.498 -3.297 -7.884 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.805 -2.158 -7.135 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.939 -4.410 -6.914 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.705 -1.412 -6.162 1.00 0.00 C ATOM 0 H ILE A 98 1.099 -3.879 -7.733 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.185 -4.637 -9.474 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.386 -2.883 -8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.046 -2.563 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.408 -1.449 -7.862 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.588 -3.988 -6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.481 -5.179 -7.465 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.061 -4.852 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.136 -0.621 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.543 -0.974 -6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.082 -2.105 -5.410 1.00 0.00 H new ATOM 1539 N GLU A 99 1.068 -3.002 -10.575 1.00 0.00 N ATOM 1540 CA GLU A 99 1.634 -2.257 -11.694 1.00 0.00 C ATOM 1541 C GLU A 99 1.779 -0.751 -11.377 1.00 0.00 C ATOM 1542 O GLU A 99 2.047 0.057 -12.271 1.00 0.00 O ATOM 1543 CB GLU A 99 0.798 -2.562 -12.955 1.00 0.00 C ATOM 1544 CG GLU A 99 1.540 -2.418 -14.287 1.00 0.00 C ATOM 1545 CD GLU A 99 2.162 -3.719 -14.793 1.00 0.00 C ATOM 1546 OE1 GLU A 99 2.703 -4.511 -14.000 1.00 0.00 O ATOM 1547 OE2 GLU A 99 2.090 -3.971 -16.018 1.00 0.00 O ATOM 0 H GLU A 99 1.744 -3.647 -10.165 1.00 0.00 H new ATOM 0 HA GLU A 99 2.657 -2.582 -11.884 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.416 -3.580 -12.880 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.066 -1.898 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.847 -2.042 -15.039 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.325 -1.671 -14.175 1.00 0.00 H new ATOM 1554 N LEU A 100 1.595 -0.337 -10.115 1.00 0.00 N ATOM 1555 CA LEU A 100 1.696 1.044 -9.651 1.00 0.00 C ATOM 1556 C LEU A 100 3.167 1.392 -9.415 1.00 0.00 C ATOM 1557 O LEU A 100 3.646 1.587 -8.292 1.00 0.00 O ATOM 1558 CB LEU A 100 0.824 1.303 -8.404 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.512 2.043 -8.611 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.381 3.283 -9.507 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.603 1.126 -9.149 1.00 0.00 C ATOM 0 H LEU A 100 1.362 -0.986 -9.363 1.00 0.00 H new ATOM 0 HA LEU A 100 1.303 1.704 -10.424 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.607 0.341 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.418 1.875 -7.691 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.804 2.383 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.356 3.759 -9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.319 3.986 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.013 2.985 -10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.525 1.694 -9.278 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.292 0.716 -10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.774 0.312 -8.445 1.00 0.00 H new ATOM 1573 N PHE A 101 3.894 1.526 -10.514 1.00 0.00 N ATOM 1574 CA PHE A 101 5.312 1.819 -10.500 1.00 0.00 C ATOM 1575 C PHE A 101 5.564 3.243 -10.007 1.00 0.00 C ATOM 1576 O PHE A 101 6.506 3.458 -9.255 1.00 0.00 O ATOM 1577 CB PHE A 101 5.907 1.576 -11.895 1.00 0.00 C ATOM 1578 CG PHE A 101 5.601 0.213 -12.504 1.00 0.00 C ATOM 1579 CD1 PHE A 101 5.671 -0.967 -11.731 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.249 0.124 -13.865 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.382 -2.213 -12.317 1.00 0.00 C ATOM 1582 CE2 PHE A 101 4.994 -1.124 -14.457 1.00 0.00 C ATOM 1583 CZ PHE A 101 5.062 -2.292 -13.682 1.00 0.00 C ATOM 0 H PHE A 101 3.506 1.432 -11.453 1.00 0.00 H new ATOM 0 HA PHE A 101 5.813 1.149 -9.802 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.537 2.348 -12.569 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.989 1.695 -11.836 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.947 -0.913 -10.688 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.175 1.023 -14.459 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.406 -3.110 -11.716 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.746 -1.185 -15.506 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.868 -3.253 -14.136 1.00 0.00 H new ATOM 1593 N ALA A 102 4.709 4.209 -10.361 1.00 0.00 N ATOM 1594 CA ALA A 102 4.796 5.595 -9.902 1.00 0.00 C ATOM 1595 C ALA A 102 4.934 5.717 -8.369 1.00 0.00 C ATOM 1596 O ALA A 102 5.949 6.230 -7.897 1.00 0.00 O ATOM 1597 CB ALA A 102 3.621 6.409 -10.464 1.00 0.00 C ATOM 0 H ALA A 102 3.922 4.043 -10.988 1.00 0.00 H new ATOM 0 HA ALA A 102 5.719 6.020 -10.295 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.694 7.440 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.653 6.390 -11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.681 5.976 -10.121 1.00 0.00 H new ATOM 1603 N PRO A 103 3.966 5.277 -7.548 1.00 0.00 N ATOM 1604 CA PRO A 103 4.051 5.413 -6.099 1.00 0.00 C ATOM 1605 C PRO A 103 5.076 4.458 -5.459 1.00 0.00 C ATOM 1606 O PRO A 103 5.633 4.816 -4.424 1.00 0.00 O ATOM 1607 CB PRO A 103 2.635 5.176 -5.580 1.00 0.00 C ATOM 1608 CG PRO A 103 2.067 4.227 -6.626 1.00 0.00 C ATOM 1609 CD PRO A 103 2.681 4.730 -7.919 1.00 0.00 C ATOM 0 HA PRO A 103 4.416 6.403 -5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.635 4.733 -4.584 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.064 6.102 -5.517 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.344 3.192 -6.424 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.978 4.265 -6.656 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.792 3.921 -8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.051 5.488 -8.384 1.00 0.00 H new ATOM 1617 N ALA A 104 5.367 3.292 -6.057 1.00 0.00 N ATOM 1618 CA ALA A 104 6.510 2.457 -5.675 1.00 0.00 C ATOM 1619 C ALA A 104 7.771 3.330 -5.783 1.00 0.00 C ATOM 1620 O ALA A 104 8.482 3.481 -4.796 1.00 0.00 O ATOM 1621 CB ALA A 104 6.569 1.231 -6.597 1.00 0.00 C ATOM 0 H ALA A 104 4.813 2.903 -6.820 1.00 0.00 H new ATOM 0 HA ALA A 104 6.423 2.086 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.417 0.606 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.648 0.657 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.684 1.558 -7.630 1.00 0.00 H new ATOM 1627 N THR A 105 7.989 4.003 -6.921 1.00 0.00 N ATOM 1628 CA THR A 105 9.143 4.853 -7.165 1.00 0.00 C ATOM 1629 C THR A 105 9.174 6.029 -6.179 1.00 0.00 C ATOM 1630 O THR A 105 10.241 6.445 -5.743 1.00 0.00 O ATOM 1631 CB THR A 105 9.070 5.427 -8.601 1.00 0.00 C ATOM 1632 OG1 THR A 105 8.897 4.451 -9.606 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.291 6.236 -9.026 1.00 0.00 C ATOM 0 H THR A 105 7.346 3.965 -7.712 1.00 0.00 H new ATOM 0 HA THR A 105 10.041 4.249 -7.037 1.00 0.00 H new ATOM 0 HB THR A 105 8.193 6.070 -8.525 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.940 4.321 -9.774 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.151 6.598 -10.045 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.417 7.085 -8.354 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.178 5.605 -8.984 1.00 0.00 H new ATOM 1641 N LEU A 106 8.016 6.609 -5.841 1.00 0.00 N ATOM 1642 CA LEU A 106 7.921 7.758 -4.948 1.00 0.00 C ATOM 1643 C LEU A 106 8.514 7.410 -3.581 1.00 0.00 C ATOM 1644 O LEU A 106 9.121 8.263 -2.928 1.00 0.00 O ATOM 1645 CB LEU A 106 6.436 8.141 -4.835 1.00 0.00 C ATOM 1646 CG LEU A 106 6.128 9.248 -3.816 1.00 0.00 C ATOM 1647 CD1 LEU A 106 6.608 10.621 -4.294 1.00 0.00 C ATOM 1648 CD2 LEU A 106 4.624 9.286 -3.535 1.00 0.00 C ATOM 0 H LEU A 106 7.112 6.286 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 106 8.487 8.603 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.083 8.462 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.866 7.252 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 106 6.670 9.016 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.369 11.372 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.686 10.595 -4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.111 10.874 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.409 10.072 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.086 9.488 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.305 8.325 -3.132 1.00 0.00 H new ATOM 1660 N LEU A 107 8.300 6.170 -3.143 1.00 0.00 N ATOM 1661 CA LEU A 107 8.779 5.646 -1.880 1.00 0.00 C ATOM 1662 C LEU A 107 10.221 5.172 -2.016 1.00 0.00 C ATOM 1663 O LEU A 107 11.041 5.544 -1.184 1.00 0.00 O ATOM 1664 CB LEU A 107 7.870 4.493 -1.443 1.00 0.00 C ATOM 1665 CG LEU A 107 6.454 4.954 -1.051 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.516 3.750 -1.059 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.428 5.647 0.321 1.00 0.00 C ATOM 0 H LEU A 107 7.770 5.485 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 107 8.754 6.431 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.798 3.768 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.326 3.980 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 107 6.121 5.691 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.511 4.070 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.495 3.312 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.871 3.008 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.409 5.954 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.782 4.955 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.075 6.524 0.298 1.00 0.00 H new ATOM 1679 N LEU A 108 10.521 4.368 -3.040 1.00 0.00 N ATOM 1680 CA LEU A 108 11.812 3.748 -3.314 1.00 0.00 C ATOM 1681 C LEU A 108 11.993 3.675 -4.837 1.00 0.00 C ATOM 1682 O LEU A 108 11.524 2.730 -5.471 1.00 0.00 O ATOM 1683 CB LEU A 108 11.870 2.342 -2.699 1.00 0.00 C ATOM 1684 CG LEU A 108 12.682 2.252 -1.407 1.00 0.00 C ATOM 1685 CD1 LEU A 108 12.297 0.988 -0.631 1.00 0.00 C ATOM 1686 CD2 LEU A 108 14.188 2.243 -1.702 1.00 0.00 C ATOM 0 H LEU A 108 9.823 4.120 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 108 12.614 4.339 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.853 2.004 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.296 1.656 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 108 12.456 3.130 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.881 0.933 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.236 1.021 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.500 0.109 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.742 2.178 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.431 1.384 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.462 3.160 -2.223 1.00 0.00 H new ATOM 1698 N PRO A 109 12.670 4.654 -5.452 1.00 0.00 N ATOM 1699 CA PRO A 109 12.908 4.677 -6.887 1.00 0.00 C ATOM 1700 C PRO A 109 13.764 3.517 -7.385 1.00 0.00 C ATOM 1701 O PRO A 109 13.688 3.175 -8.562 1.00 0.00 O ATOM 1702 CB PRO A 109 13.574 6.017 -7.195 1.00 0.00 C ATOM 1703 CG PRO A 109 13.435 6.856 -5.929 1.00 0.00 C ATOM 1704 CD PRO A 109 13.153 5.856 -4.816 1.00 0.00 C ATOM 0 HA PRO A 109 11.958 4.562 -7.409 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.623 5.880 -7.459 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.093 6.506 -8.042 1.00 0.00 H new ATOM 0 HG2 PRO A 109 14.345 7.421 -5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 109 12.625 7.579 -6.023 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.056 5.653 -4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.413 6.250 -4.120 1.00 0.00 H new ATOM 1712 N ASP A 110 14.575 2.931 -6.502 1.00 0.00 N ATOM 1713 CA ASP A 110 15.454 1.814 -6.827 1.00 0.00 C ATOM 1714 C ASP A 110 14.705 0.484 -6.754 1.00 0.00 C ATOM 1715 O ASP A 110 15.033 -0.428 -7.506 1.00 0.00 O ATOM 1716 CB ASP A 110 16.643 1.786 -5.854 1.00 0.00 C ATOM 1717 CG ASP A 110 17.577 2.975 -6.052 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.338 3.015 -7.046 1.00 0.00 O ATOM 1719 OD2 ASP A 110 17.595 3.897 -5.200 1.00 0.00 O ATOM 0 H ASP A 110 14.638 3.226 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 110 15.814 1.952 -7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.272 1.784 -4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 110 17.202 0.860 -5.992 1.00 0.00 H new ATOM 1724 N ALA A 111 13.715 0.352 -5.858 1.00 0.00 N ATOM 1725 CA ALA A 111 13.046 -0.923 -5.596 1.00 0.00 C ATOM 1726 C ALA A 111 12.105 -1.393 -6.709 1.00 0.00 C ATOM 1727 O ALA A 111 11.521 -2.472 -6.603 1.00 0.00 O ATOM 1728 CB ALA A 111 12.207 -0.769 -4.334 1.00 0.00 C ATOM 0 H ALA A 111 13.359 1.127 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 111 13.838 -1.667 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.698 -1.709 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.854 -0.506 -3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.468 0.018 -4.482 1.00 0.00 H new ATOM 1734 N VAL A 112 11.859 -0.576 -7.724 1.00 0.00 N ATOM 1735 CA VAL A 112 10.998 -0.912 -8.846 1.00 0.00 C ATOM 1736 C VAL A 112 11.922 -1.362 -9.986 1.00 0.00 C ATOM 1737 O VAL A 112 12.993 -0.776 -10.144 1.00 0.00 O ATOM 1738 CB VAL A 112 10.114 0.314 -9.153 1.00 0.00 C ATOM 1739 CG1 VAL A 112 10.916 1.605 -9.361 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.166 0.104 -10.339 1.00 0.00 C ATOM 0 H VAL A 112 12.262 0.359 -7.790 1.00 0.00 H new ATOM 0 HA VAL A 112 10.304 -1.731 -8.656 1.00 0.00 H new ATOM 0 HB VAL A 112 9.509 0.428 -8.253 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.233 2.428 -9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.485 1.829 -8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.601 1.477 -10.199 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.576 1.006 -10.497 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.747 -0.111 -11.236 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.500 -0.733 -10.129 1.00 0.00 H new ATOM 1750 N PRO A 113 11.554 -2.370 -10.797 1.00 0.00 N ATOM 1751 CA PRO A 113 12.385 -2.848 -11.900 1.00 0.00 C ATOM 1752 C PRO A 113 12.347 -1.885 -13.103 1.00 0.00 C ATOM 1753 O PRO A 113 11.929 -2.223 -14.213 1.00 0.00 O ATOM 1754 CB PRO A 113 11.866 -4.254 -12.195 1.00 0.00 C ATOM 1755 CG PRO A 113 10.381 -4.158 -11.849 1.00 0.00 C ATOM 1756 CD PRO A 113 10.391 -3.232 -10.636 1.00 0.00 C ATOM 0 HA PRO A 113 13.446 -2.884 -11.651 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.019 -4.529 -13.239 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.373 -5.006 -11.590 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.797 -3.745 -12.672 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.954 -5.133 -11.613 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.474 -2.645 -10.586 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.454 -3.803 -9.710 1.00 0.00 H new ATOM 1764 N GLN A 114 12.826 -0.668 -12.878 1.00 0.00 N ATOM 1765 CA GLN A 114 13.204 0.347 -13.840 1.00 0.00 C ATOM 1766 C GLN A 114 14.496 0.980 -13.307 1.00 0.00 C ATOM 1767 O GLN A 114 15.046 0.531 -12.295 1.00 0.00 O ATOM 1768 CB GLN A 114 12.064 1.376 -14.022 1.00 0.00 C ATOM 1769 CG GLN A 114 11.398 1.300 -15.406 1.00 0.00 C ATOM 1770 CD GLN A 114 12.316 1.654 -16.579 1.00 0.00 C ATOM 1771 OE1 GLN A 114 13.528 1.788 -16.455 1.00 0.00 O ATOM 1772 NE2 GLN A 114 11.772 1.784 -17.777 1.00 0.00 N ATOM 0 H GLN A 114 12.972 -0.340 -11.923 1.00 0.00 H new ATOM 0 HA GLN A 114 13.377 -0.072 -14.831 1.00 0.00 H new ATOM 0 HB2 GLN A 114 11.309 1.213 -13.253 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.461 2.380 -13.871 1.00 0.00 H new ATOM 0 HG2 GLN A 114 11.015 0.291 -15.554 1.00 0.00 H new ATOM 0 HG3 GLN A 114 10.540 1.972 -15.418 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.765 1.675 -17.894 1.00 0.00 H new ATOM 0 HE22 GLN A 114 12.360 1.993 -18.584 1.00 0.00 H new ATOM 1781 N THR A 115 15.003 2.016 -13.969 1.00 0.00 N ATOM 1782 CA THR A 115 16.073 2.838 -13.426 1.00 0.00 C ATOM 1783 C THR A 115 15.645 4.301 -13.496 1.00 0.00 C ATOM 1784 O THR A 115 14.786 4.659 -14.311 1.00 0.00 O ATOM 1785 CB THR A 115 17.399 2.531 -14.146 1.00 0.00 C ATOM 1786 OG1 THR A 115 17.377 2.988 -15.477 1.00 0.00 O ATOM 1787 CG2 THR A 115 17.779 1.044 -14.143 1.00 0.00 C ATOM 0 H THR A 115 14.683 2.306 -14.893 1.00 0.00 H new ATOM 0 HA THR A 115 16.256 2.608 -12.376 1.00 0.00 H new ATOM 0 HB THR A 115 18.156 3.066 -13.573 1.00 0.00 H new ATOM 0 HG1 THR A 115 18.232 2.781 -15.908 1.00 0.00 H new ATOM 0 HG21 THR A 115 18.724 0.909 -14.669 1.00 0.00 H new ATOM 0 HG22 THR A 115 17.883 0.697 -13.115 1.00 0.00 H new ATOM 0 HG23 THR A 115 17.000 0.468 -14.643 1.00 0.00 H new ATOM 1795 N VAL A 116 16.247 5.169 -12.686 1.00 0.00 N ATOM 1796 CA VAL A 116 16.011 6.607 -12.714 1.00 0.00 C ATOM 1797 C VAL A 116 17.372 7.298 -12.732 1.00 0.00 C ATOM 1798 O VAL A 116 17.941 7.663 -11.698 1.00 0.00 O ATOM 1799 CB VAL A 116 15.054 7.059 -11.589 1.00 0.00 C ATOM 1800 CG1 VAL A 116 13.611 6.626 -11.895 1.00 0.00 C ATOM 1801 CG2 VAL A 116 15.406 6.532 -10.192 1.00 0.00 C ATOM 0 H VAL A 116 16.925 4.885 -11.979 1.00 0.00 H new ATOM 0 HA VAL A 116 15.478 6.903 -13.618 1.00 0.00 H new ATOM 0 HB VAL A 116 15.160 8.144 -11.569 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.954 6.955 -11.090 1.00 0.00 H new ATOM 0 HG12 VAL A 116 13.287 7.076 -12.834 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.567 5.540 -11.979 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.679 6.902 -9.470 1.00 0.00 H new ATOM 0 HG22 VAL A 116 15.388 5.442 -10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 116 16.402 6.877 -9.913 1.00 0.00 H new ATOM 1811 N LYS A 117 17.947 7.409 -13.932 1.00 0.00 N ATOM 1812 CA LYS A 117 19.108 8.263 -14.129 1.00 0.00 C ATOM 1813 C LYS A 117 18.651 9.728 -14.146 1.00 0.00 C ATOM 1814 O LYS A 117 17.510 10.011 -14.509 1.00 0.00 O ATOM 1815 CB LYS A 117 19.904 7.812 -15.372 1.00 0.00 C ATOM 1816 CG LYS A 117 19.197 7.614 -16.730 1.00 0.00 C ATOM 1817 CD LYS A 117 18.278 8.763 -17.141 1.00 0.00 C ATOM 1818 CE LYS A 117 17.794 8.714 -18.588 1.00 0.00 C ATOM 1819 NZ LYS A 117 17.004 9.926 -18.887 1.00 0.00 N ATOM 0 H LYS A 117 17.628 6.922 -14.770 1.00 0.00 H new ATOM 0 HA LYS A 117 19.812 8.172 -13.302 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.698 8.542 -15.527 1.00 0.00 H new ATOM 0 HB3 LYS A 117 20.385 6.867 -15.120 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.954 7.477 -17.502 1.00 0.00 H new ATOM 0 HG3 LYS A 117 18.612 6.695 -16.690 1.00 0.00 H new ATOM 0 HD2 LYS A 117 17.409 8.767 -16.483 1.00 0.00 H new ATOM 0 HD3 LYS A 117 18.804 9.704 -16.981 1.00 0.00 H new ATOM 0 HE2 LYS A 117 18.646 8.646 -19.265 1.00 0.00 H new ATOM 0 HE3 LYS A 117 17.187 7.823 -18.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 16.675 9.891 -19.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 16.184 9.972 -18.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 17.597 10.769 -18.749 1.00 0.00 H new ATOM 1833 N SER A 118 19.560 10.656 -13.852 1.00 0.00 N ATOM 1834 CA SER A 118 19.396 12.086 -14.104 1.00 0.00 C ATOM 1835 C SER A 118 20.794 12.689 -14.240 1.00 0.00 C ATOM 1836 O SER A 118 21.150 13.147 -15.326 1.00 0.00 O ATOM 1837 CB SER A 118 18.560 12.782 -13.012 1.00 0.00 C ATOM 1838 OG SER A 118 17.173 12.643 -13.268 1.00 0.00 O ATOM 0 H SER A 118 20.455 10.427 -13.420 1.00 0.00 H new ATOM 0 HA SER A 118 18.833 12.240 -15.024 1.00 0.00 H new ATOM 0 HB2 SER A 118 18.798 12.354 -12.038 1.00 0.00 H new ATOM 0 HB3 SER A 118 18.821 13.839 -12.968 1.00 0.00 H new ATOM 0 HG SER A 118 17.009 11.792 -13.726 1.00 0.00 H new ATOM 1844 N LEU A 119 21.615 12.631 -13.185 1.00 0.00 N ATOM 1845 CA LEU A 119 22.996 13.128 -13.153 1.00 0.00 C ATOM 1846 C LEU A 119 23.935 12.070 -12.545 1.00 0.00 C ATOM 1847 O LEU A 119 23.426 11.103 -11.959 1.00 0.00 O ATOM 1848 CB LEU A 119 23.039 14.504 -12.447 1.00 0.00 C ATOM 1849 CG LEU A 119 22.971 14.502 -10.906 1.00 0.00 C ATOM 1850 CD1 LEU A 119 23.510 15.821 -10.356 1.00 0.00 C ATOM 1851 CD2 LEU A 119 21.537 14.326 -10.397 1.00 0.00 C ATOM 0 H LEU A 119 21.325 12.221 -12.297 1.00 0.00 H new ATOM 0 HA LEU A 119 23.366 13.294 -14.165 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.958 15.009 -12.745 1.00 0.00 H new ATOM 0 HB3 LEU A 119 22.209 15.103 -12.822 1.00 0.00 H new ATOM 0 HG LEU A 119 23.575 13.662 -10.563 1.00 0.00 H new ATOM 0 HD11 LEU A 119 23.458 15.810 -9.267 1.00 0.00 H new ATOM 0 HD12 LEU A 119 24.546 15.949 -10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 119 22.911 16.647 -10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 119 21.535 14.330 -9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 119 20.918 15.144 -10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 119 21.137 13.378 -10.757 1.00 0.00 H new ATOM 1863 N PRO A 120 25.268 12.159 -12.719 1.00 0.00 N ATOM 1864 CA PRO A 120 26.210 11.151 -12.217 1.00 0.00 C ATOM 1865 C PRO A 120 26.317 11.151 -10.675 1.00 0.00 C ATOM 1866 O PRO A 120 25.728 12.015 -10.017 1.00 0.00 O ATOM 1867 CB PRO A 120 27.543 11.469 -12.916 1.00 0.00 C ATOM 1868 CG PRO A 120 27.453 12.946 -13.268 1.00 0.00 C ATOM 1869 CD PRO A 120 25.969 13.141 -13.540 1.00 0.00 C ATOM 0 HA PRO A 120 25.877 10.139 -12.445 1.00 0.00 H new ATOM 0 HB2 PRO A 120 28.391 11.269 -12.261 1.00 0.00 H new ATOM 0 HB3 PRO A 120 27.678 10.857 -13.808 1.00 0.00 H new ATOM 0 HG2 PRO A 120 27.800 13.578 -12.451 1.00 0.00 H new ATOM 0 HG3 PRO A 120 28.059 13.191 -14.140 1.00 0.00 H new ATOM 0 HD2 PRO A 120 25.657 14.154 -13.285 1.00 0.00 H new ATOM 0 HD3 PRO A 120 25.745 12.995 -14.597 1.00 0.00 H new ATOM 1877 N PRO A 121 27.054 10.193 -10.072 1.00 0.00 N ATOM 1878 CA PRO A 121 27.229 10.092 -8.618 1.00 0.00 C ATOM 1879 C PRO A 121 28.127 11.175 -7.991 1.00 0.00 C ATOM 1880 O PRO A 121 28.450 11.083 -6.807 1.00 0.00 O ATOM 1881 CB PRO A 121 27.783 8.680 -8.365 1.00 0.00 C ATOM 1882 CG PRO A 121 28.531 8.361 -9.653 1.00 0.00 C ATOM 1883 CD PRO A 121 27.651 9.021 -10.713 1.00 0.00 C ATOM 0 HA PRO A 121 26.269 10.262 -8.130 1.00 0.00 H new ATOM 0 HB2 PRO A 121 28.445 8.657 -7.499 1.00 0.00 H new ATOM 0 HB3 PRO A 121 26.985 7.963 -8.175 1.00 0.00 H new ATOM 0 HG2 PRO A 121 29.541 8.772 -9.649 1.00 0.00 H new ATOM 0 HG3 PRO A 121 28.625 7.287 -9.813 1.00 0.00 H new ATOM 0 HD2 PRO A 121 28.240 9.310 -11.583 1.00 0.00 H new ATOM 0 HD3 PRO A 121 26.881 8.334 -11.063 1.00 0.00 H new ATOM 1891 N SER A 122 28.572 12.176 -8.753 1.00 0.00 N ATOM 1892 CA SER A 122 29.539 13.179 -8.325 1.00 0.00 C ATOM 1893 C SER A 122 29.104 13.891 -7.033 1.00 0.00 C ATOM 1894 O SER A 122 27.912 14.130 -6.816 1.00 0.00 O ATOM 1895 CB SER A 122 29.708 14.178 -9.477 1.00 0.00 C ATOM 1896 OG SER A 122 29.902 13.486 -10.702 1.00 0.00 O ATOM 0 H SER A 122 28.257 12.312 -9.714 1.00 0.00 H new ATOM 0 HA SER A 122 30.488 12.696 -8.093 1.00 0.00 H new ATOM 0 HB2 SER A 122 28.827 14.816 -9.547 1.00 0.00 H new ATOM 0 HB3 SER A 122 30.559 14.830 -9.281 1.00 0.00 H new ATOM 0 HG SER A 122 30.007 14.133 -11.430 1.00 0.00 H new ATOM 1902 N GLY A 123 30.073 14.270 -6.198 1.00 0.00 N ATOM 1903 CA GLY A 123 29.856 14.992 -4.950 1.00 0.00 C ATOM 1904 C GLY A 123 31.043 14.772 -4.013 1.00 0.00 C ATOM 1905 O GLY A 123 30.910 13.994 -3.071 1.00 0.00 O ATOM 0 H GLY A 123 31.058 14.076 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 123 29.732 16.056 -5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 123 28.937 14.648 -4.475 1.00 0.00 H new ATOM 1909 N PRO A 124 32.220 15.361 -4.290 1.00 0.00 N ATOM 1910 CA PRO A 124 33.419 15.133 -3.489 1.00 0.00 C ATOM 1911 C PRO A 124 33.347 15.899 -2.163 1.00 0.00 C ATOM 1912 O PRO A 124 32.669 16.927 -2.066 1.00 0.00 O ATOM 1913 CB PRO A 124 34.567 15.660 -4.357 1.00 0.00 C ATOM 1914 CG PRO A 124 33.917 16.811 -5.128 1.00 0.00 C ATOM 1915 CD PRO A 124 32.492 16.309 -5.364 1.00 0.00 C ATOM 0 HA PRO A 124 33.544 14.083 -3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 124 35.406 16.003 -3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 124 34.951 14.891 -5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 124 33.928 17.738 -4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 124 34.435 17.011 -6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 124 31.779 17.134 -5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 124 32.403 15.831 -6.339 1.00 0.00 H new ATOM 1923 N SER A 125 34.114 15.473 -1.161 1.00 0.00 N ATOM 1924 CA SER A 125 34.487 16.250 0.017 1.00 0.00 C ATOM 1925 C SER A 125 35.782 15.659 0.584 1.00 0.00 C ATOM 1926 O SER A 125 36.245 14.613 0.126 1.00 0.00 O ATOM 1927 CB SER A 125 33.360 16.198 1.056 1.00 0.00 C ATOM 1928 OG SER A 125 32.220 16.882 0.570 1.00 0.00 O ATOM 0 H SER A 125 34.510 14.533 -1.149 1.00 0.00 H new ATOM 0 HA SER A 125 34.646 17.295 -0.247 1.00 0.00 H new ATOM 0 HB2 SER A 125 33.105 15.161 1.277 1.00 0.00 H new ATOM 0 HB3 SER A 125 33.694 16.650 1.990 1.00 0.00 H new ATOM 0 HG SER A 125 32.420 17.268 -0.308 1.00 0.00 H new ATOM 1934 N SER A 126 36.380 16.322 1.567 1.00 0.00 N ATOM 1935 CA SER A 126 37.412 15.801 2.451 1.00 0.00 C ATOM 1936 C SER A 126 37.330 16.649 3.720 1.00 0.00 C ATOM 1937 O SER A 126 37.030 17.843 3.623 1.00 0.00 O ATOM 1938 CB SER A 126 38.789 15.940 1.791 1.00 0.00 C ATOM 1939 OG SER A 126 38.873 15.165 0.608 1.00 0.00 O ATOM 0 H SER A 126 36.143 17.291 1.779 1.00 0.00 H new ATOM 0 HA SER A 126 37.269 14.743 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 126 38.978 16.987 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 126 39.563 15.625 2.490 1.00 0.00 H new ATOM 0 HG SER A 126 37.992 14.792 0.398 1.00 0.00 H new ATOM 1945 N GLY A 127 37.571 16.045 4.880 1.00 0.00 N ATOM 1946 CA GLY A 127 37.314 16.617 6.189 1.00 0.00 C ATOM 1947 C GLY A 127 36.633 15.534 7.005 1.00 0.00 C ATOM 1948 O GLY A 127 36.871 14.348 6.697 1.00 0.00 O ATOM 0 H GLY A 127 37.967 15.106 4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 127 38.243 16.934 6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 127 36.679 17.500 6.109 1.00 0.00 H new TER 1952 GLY A 127