USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 967 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 107 HIS : no HD1:sc= 0.104 K(o=0.16,f=-0.34) USER MOD Set 1.2: A 111 ASN : amide:sc= 0.0587 K(o=0.16,f=-0.34) USER MOD Set 2.1: A 29 THR OG1 : rot -168:sc= 1.3 USER MOD Set 2.2: A 49 GLN : amide:sc= 1.34 K(o=2.9,f=-2.3!) USER MOD Set 2.3: A 53 ASN : amide:sc= 0.228 K(o=2.9,f=-3.2) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -49:sc= 1.27 USER MOD Single : A 28 THR OG1 : rot -81:sc= 0.971 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 67:sc= 0.823 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 71:sc= 1.07 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0623 USER MOD Single : A 51 MET CE :methyl -166:sc= -0.0461 (180deg=-0.341) USER MOD Single : A 60 ASN : amide:sc= -0.253 K(o=-0.25,f=-0.94) USER MOD Single : A 62 THR OG1 : rot -140:sc= 0 USER MOD Single : A 70 THR OG1 : rot 76:sc= 0.707 USER MOD Single : A 71 MET CE :methyl -174:sc= 0 (180deg=-0.102) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.482 K(o=0.48,f=-3.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -77:sc= 0.929 USER MOD Single : A 109 MET CE :methyl -121:sc= -0.13 (180deg=-0.58) USER MOD Single : A 110 THR OG1 : rot 92:sc= 1.18 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -171:sc= 0 (180deg=-0.0854) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 137 ASN : amide:sc= -0.0304 X(o=-0.03,f=-0.5) USER MOD Single : A 138 TYR OH : rot 180:sc=-0.00216 USER MOD Single : A 143 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.65) USER MOD Single : A 144 MET CE :methyl -157:sc= -0.328 (180deg=-0.611) USER MOD Single : A 145 MET CE :methyl 175:sc= 0 (180deg=-0.0417) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.973 15.386 0.891 1.00 0.00 N ATOM 59 CA THR A 5 -12.613 16.579 0.430 1.00 0.00 C ATOM 60 C THR A 5 -13.991 16.249 -0.031 1.00 0.00 C ATOM 61 O THR A 5 -14.315 15.077 -0.212 1.00 0.00 O ATOM 62 CB THR A 5 -11.903 17.271 -0.696 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.045 16.714 -1.995 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.395 17.414 -0.433 1.00 0.00 C ATOM 0 HA THR A 5 -12.608 17.263 1.279 1.00 0.00 H new ATOM 0 HB THR A 5 -12.418 18.232 -0.705 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.540 17.253 -2.639 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.925 17.921 -1.276 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.238 17.997 0.474 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.952 16.426 -0.311 1.00 0.00 H new ATOM 72 N GLU A 6 -14.842 17.288 -0.108 1.00 0.00 N ATOM 73 CA GLU A 6 -16.184 17.217 -0.597 1.00 0.00 C ATOM 74 C GLU A 6 -16.341 16.583 -1.936 1.00 0.00 C ATOM 75 O GLU A 6 -17.120 15.653 -2.141 1.00 0.00 O ATOM 76 CB GLU A 6 -16.738 18.652 -0.613 1.00 0.00 C ATOM 77 CG GLU A 6 -18.231 18.741 -0.935 1.00 0.00 C ATOM 78 CD GLU A 6 -19.121 18.202 0.176 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.894 18.429 1.394 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.172 17.634 -0.225 1.00 0.00 O ATOM 0 H GLU A 6 -14.579 18.228 0.187 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.741 16.561 0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.559 19.110 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.183 19.236 -1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.492 19.782 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.431 18.187 -1.852 1.00 0.00 H new ATOM 87 N GLU A 7 -15.418 16.971 -2.833 1.00 0.00 N ATOM 88 CA GLU A 7 -15.408 16.360 -4.126 1.00 0.00 C ATOM 89 C GLU A 7 -15.161 14.892 -4.196 1.00 0.00 C ATOM 90 O GLU A 7 -15.707 14.092 -4.955 1.00 0.00 O ATOM 91 CB GLU A 7 -14.480 17.216 -5.004 1.00 0.00 C ATOM 92 CG GLU A 7 -14.510 16.776 -6.469 1.00 0.00 C ATOM 93 CD GLU A 7 -13.759 17.680 -7.437 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.310 18.735 -7.851 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.551 17.421 -7.683 1.00 0.00 O ATOM 0 H GLU A 7 -14.703 17.681 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.428 16.362 -4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.778 18.262 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.460 17.149 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.092 15.772 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.550 16.712 -6.790 1.00 0.00 H new ATOM 102 N GLN A 8 -14.284 14.416 -3.295 1.00 0.00 N ATOM 103 CA GLN A 8 -13.948 13.039 -3.109 1.00 0.00 C ATOM 104 C GLN A 8 -15.084 12.214 -2.610 1.00 0.00 C ATOM 105 O GLN A 8 -15.382 11.120 -3.088 1.00 0.00 O ATOM 106 CB GLN A 8 -12.693 12.934 -2.227 1.00 0.00 C ATOM 107 CG GLN A 8 -11.525 13.534 -3.014 1.00 0.00 C ATOM 108 CD GLN A 8 -10.248 13.694 -2.201 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.192 13.560 -0.980 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.128 14.054 -2.883 1.00 0.00 N ATOM 0 H GLN A 8 -13.779 15.031 -2.657 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.721 12.611 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.838 13.469 -1.289 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.489 11.894 -1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.318 12.900 -3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.823 14.509 -3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.162 14.168 -3.896 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.254 14.210 -2.382 1.00 0.00 H new ATOM 119 N ILE A 9 -15.827 12.713 -1.606 1.00 0.00 N ATOM 120 CA ILE A 9 -17.001 12.172 -0.995 1.00 0.00 C ATOM 121 C ILE A 9 -18.105 12.107 -1.994 1.00 0.00 C ATOM 122 O ILE A 9 -18.945 11.211 -1.934 1.00 0.00 O ATOM 123 CB ILE A 9 -17.348 12.832 0.306 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.143 12.790 1.262 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.616 12.305 0.999 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.347 13.743 2.439 1.00 0.00 C ATOM 0 H ILE A 9 -15.571 13.601 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.801 11.145 -0.690 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.590 13.863 0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.002 11.774 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.236 13.061 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.775 12.850 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.475 12.448 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.498 11.243 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.482 13.695 3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.463 14.761 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.242 13.454 2.991 1.00 0.00 H new ATOM 138 N ALA A 10 -18.230 13.058 -2.937 1.00 0.00 N ATOM 139 CA ALA A 10 -19.248 13.111 -3.940 1.00 0.00 C ATOM 140 C ALA A 10 -18.866 12.262 -5.104 1.00 0.00 C ATOM 141 O ALA A 10 -19.831 11.808 -5.717 1.00 0.00 O ATOM 142 CB ALA A 10 -19.387 14.590 -4.337 1.00 0.00 C ATOM 0 H ALA A 10 -17.578 13.840 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.200 12.726 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.155 14.690 -5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.669 15.176 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.436 14.953 -4.726 1.00 0.00 H new ATOM 148 N GLU A 11 -17.569 12.029 -5.374 1.00 0.00 N ATOM 149 CA GLU A 11 -17.109 10.978 -6.227 1.00 0.00 C ATOM 150 C GLU A 11 -17.528 9.630 -5.750 1.00 0.00 C ATOM 151 O GLU A 11 -18.093 8.774 -6.428 1.00 0.00 O ATOM 152 CB GLU A 11 -15.574 10.979 -6.328 1.00 0.00 C ATOM 153 CG GLU A 11 -14.911 9.824 -7.081 1.00 0.00 C ATOM 154 CD GLU A 11 -14.543 10.139 -8.524 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.658 11.024 -8.667 1.00 0.00 O ATOM 156 OE2 GLU A 11 -15.149 9.624 -9.502 1.00 0.00 O ATOM 0 H GLU A 11 -16.814 12.593 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.560 11.171 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.270 11.910 -6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.171 10.995 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.009 9.529 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.584 8.966 -7.070 1.00 0.00 H new ATOM 163 N PHE A 12 -17.266 9.430 -4.446 1.00 0.00 N ATOM 164 CA PHE A 12 -17.350 8.160 -3.795 1.00 0.00 C ATOM 165 C PHE A 12 -18.808 7.881 -3.671 1.00 0.00 C ATOM 166 O PHE A 12 -19.162 6.703 -3.649 1.00 0.00 O ATOM 167 CB PHE A 12 -16.670 8.118 -2.416 1.00 0.00 C ATOM 168 CG PHE A 12 -15.193 8.288 -2.511 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.362 8.225 -3.604 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.607 8.592 -1.304 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.000 8.402 -3.534 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.281 8.949 -1.236 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.456 8.732 -2.315 1.00 0.00 C ATOM 0 H PHE A 12 -16.984 10.184 -3.820 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.818 7.409 -4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.084 8.904 -1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.894 7.168 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.802 8.026 -4.570 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.195 8.550 -0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.377 8.286 -4.409 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.888 9.399 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.385 8.820 -2.205 1.00 0.00 H new ATOM 183 N LYS A 13 -19.705 8.872 -3.518 1.00 0.00 N ATOM 184 CA LYS A 13 -21.128 8.746 -3.578 1.00 0.00 C ATOM 185 C LYS A 13 -21.647 8.036 -4.781 1.00 0.00 C ATOM 186 O LYS A 13 -22.350 7.030 -4.706 1.00 0.00 O ATOM 187 CB LYS A 13 -21.828 10.099 -3.367 1.00 0.00 C ATOM 188 CG LYS A 13 -23.354 9.987 -3.371 1.00 0.00 C ATOM 189 CD LYS A 13 -24.175 11.146 -2.801 1.00 0.00 C ATOM 190 CE LYS A 13 -23.975 11.330 -1.295 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.200 12.732 -0.877 1.00 0.00 N ATOM 0 H LYS A 13 -19.412 9.832 -3.339 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.383 8.093 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.503 10.527 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.517 10.789 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.672 9.832 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.621 9.088 -2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -23.900 12.067 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -25.232 10.971 -3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.659 10.676 -0.755 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.964 11.028 -1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.055 12.816 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.530 13.354 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.173 13.013 -1.113 1.00 0.00 H new ATOM 205 N GLU A 14 -21.241 8.573 -5.946 1.00 0.00 N ATOM 206 CA GLU A 14 -21.526 8.047 -7.245 1.00 0.00 C ATOM 207 C GLU A 14 -20.912 6.701 -7.425 1.00 0.00 C ATOM 208 O GLU A 14 -21.499 5.816 -8.045 1.00 0.00 O ATOM 209 CB GLU A 14 -21.212 8.989 -8.419 1.00 0.00 C ATOM 210 CG GLU A 14 -22.207 10.128 -8.648 1.00 0.00 C ATOM 211 CD GLU A 14 -21.862 10.855 -9.940 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.522 10.264 -10.999 1.00 0.00 O ATOM 213 OE2 GLU A 14 -22.015 12.105 -9.933 1.00 0.00 O ATOM 0 H GLU A 14 -20.681 9.425 -5.982 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.611 7.944 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.225 9.422 -8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.154 8.395 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -23.222 9.733 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -22.179 10.823 -7.809 1.00 0.00 H new ATOM 220 N ALA A 15 -19.701 6.451 -6.896 1.00 0.00 N ATOM 221 CA ALA A 15 -19.102 5.161 -6.751 1.00 0.00 C ATOM 222 C ALA A 15 -19.937 4.194 -5.985 1.00 0.00 C ATOM 223 O ALA A 15 -20.244 3.150 -6.557 1.00 0.00 O ATOM 224 CB ALA A 15 -17.650 5.323 -6.271 1.00 0.00 C ATOM 0 H ALA A 15 -19.102 7.199 -6.547 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.054 4.678 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.192 4.340 -6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.088 5.905 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.640 5.839 -5.311 1.00 0.00 H new ATOM 230 N PHE A 16 -20.526 4.514 -4.818 1.00 0.00 N ATOM 231 CA PHE A 16 -21.183 3.653 -3.884 1.00 0.00 C ATOM 232 C PHE A 16 -22.465 3.199 -4.491 1.00 0.00 C ATOM 233 O PHE A 16 -22.752 2.006 -4.589 1.00 0.00 O ATOM 234 CB PHE A 16 -21.495 4.537 -2.665 1.00 0.00 C ATOM 235 CG PHE A 16 -22.217 3.944 -1.504 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.588 3.847 -1.528 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.494 3.264 -0.552 1.00 0.00 C ATOM 238 CE1 PHE A 16 -24.285 3.292 -0.481 1.00 0.00 C ATOM 239 CE2 PHE A 16 -22.147 2.620 0.473 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.520 2.689 0.489 1.00 0.00 C ATOM 0 H PHE A 16 -20.541 5.482 -4.498 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.581 2.784 -3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.549 4.933 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.081 5.386 -3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -24.129 4.215 -2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.416 3.236 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -25.363 3.327 -0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.603 2.082 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 16 -24.035 2.237 1.324 1.00 0.00 H new ATOM 250 N SER A 17 -23.233 4.111 -5.113 1.00 0.00 N ATOM 251 CA SER A 17 -24.405 3.862 -5.893 1.00 0.00 C ATOM 252 C SER A 17 -24.186 3.099 -7.154 1.00 0.00 C ATOM 253 O SER A 17 -25.043 2.421 -7.719 1.00 0.00 O ATOM 254 CB SER A 17 -25.002 5.174 -6.429 1.00 0.00 C ATOM 255 OG SER A 17 -25.707 5.714 -5.321 1.00 0.00 O ATOM 0 H SER A 17 -23.014 5.106 -5.065 1.00 0.00 H new ATOM 0 HA SER A 17 -25.029 3.306 -5.193 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.223 5.854 -6.775 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.666 4.993 -7.274 1.00 0.00 H new ATOM 0 HG SER A 17 -26.122 6.563 -5.580 1.00 0.00 H new ATOM 261 N LEU A 18 -22.936 3.098 -7.652 1.00 0.00 N ATOM 262 CA LEU A 18 -22.565 2.210 -8.710 1.00 0.00 C ATOM 263 C LEU A 18 -22.606 0.772 -8.323 1.00 0.00 C ATOM 264 O LEU A 18 -23.190 -0.023 -9.058 1.00 0.00 O ATOM 265 CB LEU A 18 -21.225 2.547 -9.387 1.00 0.00 C ATOM 266 CG LEU A 18 -21.072 2.163 -10.869 1.00 0.00 C ATOM 267 CD1 LEU A 18 -21.741 3.088 -11.899 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.575 2.321 -11.183 1.00 0.00 C ATOM 0 H LEU A 18 -22.187 3.708 -7.325 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.343 2.377 -9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -21.061 3.621 -9.297 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.430 2.056 -8.826 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.526 1.176 -10.961 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -21.558 2.706 -12.904 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -22.815 3.123 -11.714 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -21.325 4.092 -11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.393 2.063 -12.226 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.273 3.353 -11.007 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.996 1.659 -10.539 1.00 0.00 H new ATOM 280 N PHE A 19 -22.071 0.478 -7.125 1.00 0.00 N ATOM 281 CA PHE A 19 -21.722 -0.847 -6.713 1.00 0.00 C ATOM 282 C PHE A 19 -22.885 -1.404 -5.967 1.00 0.00 C ATOM 283 O PHE A 19 -23.010 -2.619 -5.818 1.00 0.00 O ATOM 284 CB PHE A 19 -20.596 -0.917 -5.669 1.00 0.00 C ATOM 285 CG PHE A 19 -19.312 -0.355 -6.175 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.828 -0.582 -7.442 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.578 0.415 -5.304 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.676 0.032 -7.876 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.444 1.067 -5.725 1.00 0.00 C ATOM 290 CZ PHE A 19 -17.025 0.891 -7.022 1.00 0.00 C ATOM 0 H PHE A 19 -21.874 1.187 -6.418 1.00 0.00 H new ATOM 0 HA PHE A 19 -21.424 -1.365 -7.625 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.900 -0.373 -4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.443 -1.955 -5.374 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.359 -1.250 -8.104 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.897 0.509 -4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.291 -0.157 -8.867 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.893 1.705 -5.050 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.166 1.439 -7.378 1.00 0.00 H new ATOM 300 N ASP A 20 -23.811 -0.566 -5.467 1.00 0.00 N ATOM 301 CA ASP A 20 -25.068 -1.057 -4.994 1.00 0.00 C ATOM 302 C ASP A 20 -25.854 -1.582 -6.146 1.00 0.00 C ATOM 303 O ASP A 20 -26.383 -0.807 -6.941 1.00 0.00 O ATOM 304 CB ASP A 20 -25.787 0.057 -4.216 1.00 0.00 C ATOM 305 CG ASP A 20 -26.767 -0.505 -3.196 1.00 0.00 C ATOM 306 OD1 ASP A 20 -27.194 -1.686 -3.299 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.200 0.293 -2.323 1.00 0.00 O ATOM 0 H ASP A 20 -23.691 0.444 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.933 -1.887 -4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.050 0.678 -3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.320 0.702 -4.915 1.00 0.00 H new ATOM 312 N LYS A 21 -25.930 -2.923 -6.223 1.00 0.00 N ATOM 313 CA LYS A 21 -26.703 -3.563 -7.242 1.00 0.00 C ATOM 314 C LYS A 21 -28.173 -3.378 -7.080 1.00 0.00 C ATOM 315 O LYS A 21 -28.932 -3.161 -8.023 1.00 0.00 O ATOM 316 CB LYS A 21 -26.210 -5.018 -7.187 1.00 0.00 C ATOM 317 CG LYS A 21 -26.186 -5.808 -8.497 1.00 0.00 C ATOM 318 CD LYS A 21 -25.170 -5.285 -9.514 1.00 0.00 C ATOM 319 CE LYS A 21 -25.293 -6.067 -10.823 1.00 0.00 C ATOM 320 NZ LYS A 21 -24.257 -5.606 -11.773 1.00 0.00 N ATOM 0 H LYS A 21 -25.458 -3.562 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.558 -3.130 -8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.200 -5.015 -6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.839 -5.559 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -25.962 -6.852 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -27.180 -5.783 -8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.339 -4.224 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.160 -5.383 -9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.178 -7.134 -10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.285 -5.924 -11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.341 -6.138 -12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.386 -4.592 -11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.315 -5.764 -11.363 1.00 0.00 H new ATOM 334 N ASP A 22 -28.694 -3.565 -5.854 1.00 0.00 N ATOM 335 CA ASP A 22 -30.097 -3.453 -5.602 1.00 0.00 C ATOM 336 C ASP A 22 -30.550 -2.034 -5.591 1.00 0.00 C ATOM 337 O ASP A 22 -31.648 -1.698 -6.034 1.00 0.00 O ATOM 338 CB ASP A 22 -30.640 -4.211 -4.379 1.00 0.00 C ATOM 339 CG ASP A 22 -29.669 -5.322 -4.006 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.672 -4.952 -3.329 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.834 -6.510 -4.389 1.00 0.00 O ATOM 0 H ASP A 22 -28.138 -3.796 -5.031 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.538 -3.972 -6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.768 -3.527 -3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.621 -4.629 -4.602 1.00 0.00 H new ATOM 346 N GLY A 23 -29.616 -1.183 -5.130 1.00 0.00 N ATOM 347 CA GLY A 23 -29.834 0.223 -4.990 1.00 0.00 C ATOM 348 C GLY A 23 -30.567 0.513 -3.725 1.00 0.00 C ATOM 349 O GLY A 23 -31.412 1.405 -3.677 1.00 0.00 O ATOM 0 H GLY A 23 -28.683 -1.481 -4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.878 0.747 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.404 0.595 -5.841 1.00 0.00 H new ATOM 353 N ASP A 24 -30.195 -0.163 -2.624 1.00 0.00 N ATOM 354 CA ASP A 24 -30.850 -0.073 -1.356 1.00 0.00 C ATOM 355 C ASP A 24 -30.186 0.799 -0.347 1.00 0.00 C ATOM 356 O ASP A 24 -30.776 1.254 0.631 1.00 0.00 O ATOM 357 CB ASP A 24 -31.061 -1.495 -0.808 1.00 0.00 C ATOM 358 CG ASP A 24 -29.787 -2.226 -0.410 1.00 0.00 C ATOM 359 OD1 ASP A 24 -29.233 -1.979 0.695 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.266 -2.973 -1.281 1.00 0.00 O ATOM 0 H ASP A 24 -29.400 -0.802 -2.617 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.802 0.426 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.717 -1.440 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.580 -2.086 -1.563 1.00 0.00 H new ATOM 365 N GLY A 25 -28.883 1.120 -0.445 1.00 0.00 N ATOM 366 CA GLY A 25 -28.158 1.864 0.537 1.00 0.00 C ATOM 367 C GLY A 25 -27.108 1.055 1.218 1.00 0.00 C ATOM 368 O GLY A 25 -26.474 1.554 2.147 1.00 0.00 O ATOM 0 H GLY A 25 -28.310 0.849 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.693 2.727 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.855 2.248 1.282 1.00 0.00 H new ATOM 372 N THR A 26 -26.725 -0.145 0.747 1.00 0.00 N ATOM 373 CA THR A 26 -25.774 -0.975 1.419 1.00 0.00 C ATOM 374 C THR A 26 -24.915 -1.696 0.437 1.00 0.00 C ATOM 375 O THR A 26 -25.406 -2.196 -0.574 1.00 0.00 O ATOM 376 CB THR A 26 -26.254 -1.986 2.418 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.110 -2.985 1.882 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.924 -1.312 3.627 1.00 0.00 C ATOM 0 H THR A 26 -27.084 -0.547 -0.119 1.00 0.00 H new ATOM 0 HA THR A 26 -25.247 -0.231 2.016 1.00 0.00 H new ATOM 0 HB THR A 26 -25.350 -2.501 2.742 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.812 -2.561 1.346 1.00 0.00 H new ATOM 0 HG21 THR A 26 -27.259 -2.075 4.329 1.00 0.00 H new ATOM 0 HG22 THR A 26 -26.208 -0.654 4.120 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.780 -0.728 3.290 1.00 0.00 H new ATOM 386 N ILE A 27 -23.597 -1.857 0.647 1.00 0.00 N ATOM 387 CA ILE A 27 -22.754 -2.718 -0.123 1.00 0.00 C ATOM 388 C ILE A 27 -22.552 -3.922 0.730 1.00 0.00 C ATOM 389 O ILE A 27 -22.069 -3.817 1.856 1.00 0.00 O ATOM 390 CB ILE A 27 -21.424 -2.186 -0.567 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.569 -0.702 -0.944 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.945 -3.074 -1.727 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.291 -0.034 -1.449 1.00 0.00 C ATOM 0 H ILE A 27 -23.096 -1.365 1.387 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.259 -2.891 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.673 -2.223 0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.336 -0.612 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.926 -0.155 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.977 -2.720 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.851 -4.104 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.668 -3.029 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.496 1.009 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.524 -0.085 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.940 -0.549 -2.343 1.00 0.00 H new ATOM 405 N THR A 28 -23.034 -5.083 0.250 1.00 0.00 N ATOM 406 CA THR A 28 -22.851 -6.378 0.829 1.00 0.00 C ATOM 407 C THR A 28 -21.501 -6.892 0.464 1.00 0.00 C ATOM 408 O THR A 28 -20.859 -6.365 -0.443 1.00 0.00 O ATOM 409 CB THR A 28 -23.884 -7.371 0.387 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.812 -7.434 -1.029 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.336 -6.925 0.634 1.00 0.00 C ATOM 0 H THR A 28 -23.591 -5.118 -0.604 1.00 0.00 H new ATOM 0 HA THR A 28 -22.953 -6.262 1.908 1.00 0.00 H new ATOM 0 HB THR A 28 -23.678 -8.290 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.307 -6.682 -1.416 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.019 -7.700 0.286 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.489 -6.759 1.700 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.530 -6.000 0.091 1.00 0.00 H new ATOM 419 N THR A 29 -21.107 -7.983 1.144 1.00 0.00 N ATOM 420 CA THR A 29 -19.875 -8.680 0.943 1.00 0.00 C ATOM 421 C THR A 29 -19.900 -9.389 -0.367 1.00 0.00 C ATOM 422 O THR A 29 -18.819 -9.437 -0.952 1.00 0.00 O ATOM 423 CB THR A 29 -19.612 -9.718 1.994 1.00 0.00 C ATOM 424 OG1 THR A 29 -19.901 -9.258 3.306 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.124 -10.087 1.877 1.00 0.00 C ATOM 0 H THR A 29 -21.681 -8.402 1.875 1.00 0.00 H new ATOM 0 HA THR A 29 -19.092 -7.923 0.986 1.00 0.00 H new ATOM 0 HB THR A 29 -20.264 -10.576 1.831 1.00 0.00 H new ATOM 0 HG1 THR A 29 -19.534 -9.887 3.962 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.877 -10.843 2.623 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.924 -10.481 0.881 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.515 -9.199 2.045 1.00 0.00 H new ATOM 433 N LYS A 30 -21.057 -9.796 -0.920 1.00 0.00 N ATOM 434 CA LYS A 30 -21.180 -10.181 -2.291 1.00 0.00 C ATOM 435 C LYS A 30 -21.019 -9.169 -3.373 1.00 0.00 C ATOM 436 O LYS A 30 -20.493 -9.394 -4.461 1.00 0.00 O ATOM 437 CB LYS A 30 -22.466 -11.010 -2.454 1.00 0.00 C ATOM 438 CG LYS A 30 -23.802 -10.377 -2.063 1.00 0.00 C ATOM 439 CD LYS A 30 -24.958 -11.372 -2.188 1.00 0.00 C ATOM 440 CE LYS A 30 -26.315 -10.715 -2.444 1.00 0.00 C ATOM 441 NZ LYS A 30 -27.330 -11.646 -1.901 1.00 0.00 N ATOM 0 H LYS A 30 -21.931 -9.859 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.274 -10.760 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.536 -11.310 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.348 -11.922 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.745 -10.012 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.995 -9.513 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.742 -12.065 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.017 -11.962 -1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.376 -9.743 -1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.471 -10.546 -3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -28.280 -11.248 -2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.258 -12.561 -2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.166 -11.783 -0.883 1.00 0.00 H new ATOM 455 N GLU A 31 -21.548 -7.950 -3.163 1.00 0.00 N ATOM 456 CA GLU A 31 -21.369 -6.771 -3.952 1.00 0.00 C ATOM 457 C GLU A 31 -20.002 -6.181 -3.898 1.00 0.00 C ATOM 458 O GLU A 31 -19.491 -5.716 -4.916 1.00 0.00 O ATOM 459 CB GLU A 31 -22.361 -5.670 -3.540 1.00 0.00 C ATOM 460 CG GLU A 31 -23.827 -5.975 -3.855 1.00 0.00 C ATOM 461 CD GLU A 31 -24.824 -5.075 -3.139 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.872 -5.071 -1.880 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.566 -4.254 -3.741 1.00 0.00 O ATOM 0 H GLU A 31 -22.158 -7.776 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.545 -7.113 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.263 -5.495 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.082 -4.743 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.981 -5.885 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.035 -7.011 -3.589 1.00 0.00 H new ATOM 470 N LEU A 32 -19.308 -6.187 -2.746 1.00 0.00 N ATOM 471 CA LEU A 32 -17.945 -5.752 -2.754 1.00 0.00 C ATOM 472 C LEU A 32 -17.071 -6.782 -3.382 1.00 0.00 C ATOM 473 O LEU A 32 -16.049 -6.519 -4.014 1.00 0.00 O ATOM 474 CB LEU A 32 -17.492 -5.298 -1.356 1.00 0.00 C ATOM 475 CG LEU A 32 -16.105 -4.638 -1.432 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.155 -3.281 -2.155 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.575 -4.394 -0.009 1.00 0.00 C ATOM 0 H LEU A 32 -19.672 -6.481 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.854 -4.864 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.215 -4.594 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.459 -6.154 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.454 -5.313 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.155 -2.849 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.521 -3.424 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.824 -2.608 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.592 -3.926 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.261 -3.738 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.496 -5.345 0.518 1.00 0.00 H new ATOM 489 N GLY A 33 -17.381 -8.086 -3.278 1.00 0.00 N ATOM 490 CA GLY A 33 -16.856 -9.134 -4.097 1.00 0.00 C ATOM 491 C GLY A 33 -16.955 -8.969 -5.574 1.00 0.00 C ATOM 492 O GLY A 33 -15.958 -9.244 -6.240 1.00 0.00 O ATOM 0 H GLY A 33 -18.039 -8.429 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.804 -9.264 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.366 -10.059 -3.827 1.00 0.00 H new ATOM 496 N THR A 34 -18.105 -8.501 -6.091 1.00 0.00 N ATOM 497 CA THR A 34 -18.364 -8.248 -7.475 1.00 0.00 C ATOM 498 C THR A 34 -17.415 -7.254 -8.050 1.00 0.00 C ATOM 499 O THR A 34 -16.884 -7.487 -9.135 1.00 0.00 O ATOM 500 CB THR A 34 -19.760 -7.733 -7.666 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.686 -8.717 -7.230 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.138 -7.532 -9.144 1.00 0.00 C ATOM 0 H THR A 34 -18.908 -8.285 -5.501 1.00 0.00 H new ATOM 0 HA THR A 34 -18.236 -9.199 -7.993 1.00 0.00 H new ATOM 0 HB THR A 34 -19.794 -6.791 -7.119 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.607 -8.834 -6.260 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.160 -7.158 -9.211 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.458 -6.812 -9.599 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.065 -8.483 -9.671 1.00 0.00 H new ATOM 510 N VAL A 35 -17.110 -6.142 -7.358 1.00 0.00 N ATOM 511 CA VAL A 35 -16.184 -5.120 -7.735 1.00 0.00 C ATOM 512 C VAL A 35 -14.847 -5.669 -8.096 1.00 0.00 C ATOM 513 O VAL A 35 -14.221 -5.457 -9.133 1.00 0.00 O ATOM 514 CB VAL A 35 -16.041 -4.098 -6.646 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.904 -3.092 -6.893 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.288 -3.199 -6.606 1.00 0.00 C ATOM 0 H VAL A 35 -17.549 -5.943 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.595 -4.641 -8.624 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.866 -4.683 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.859 -2.383 -6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.956 -3.625 -6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.090 -2.554 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.178 -2.459 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.401 -2.691 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.170 -3.809 -6.413 1.00 0.00 H new ATOM 526 N MET A 36 -14.416 -6.511 -7.140 1.00 0.00 N ATOM 527 CA MET A 36 -13.083 -7.025 -7.069 1.00 0.00 C ATOM 528 C MET A 36 -12.897 -8.173 -8.000 1.00 0.00 C ATOM 529 O MET A 36 -11.812 -8.311 -8.564 1.00 0.00 O ATOM 530 CB MET A 36 -12.658 -7.530 -5.680 1.00 0.00 C ATOM 531 CG MET A 36 -12.522 -6.494 -4.563 1.00 0.00 C ATOM 532 SD MET A 36 -11.652 -4.965 -5.021 1.00 0.00 S ATOM 533 CE MET A 36 -11.534 -4.360 -3.313 1.00 0.00 C ATOM 0 H MET A 36 -15.018 -6.847 -6.388 1.00 0.00 H new ATOM 0 HA MET A 36 -12.467 -6.166 -7.335 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.382 -8.278 -5.358 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.700 -8.038 -5.786 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.519 -6.233 -4.209 1.00 0.00 H new ATOM 0 HG3 MET A 36 -11.997 -6.954 -3.726 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.022 -3.398 -3.302 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.535 -4.243 -2.898 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.974 -5.076 -2.711 1.00 0.00 H new ATOM 543 N ARG A 37 -13.946 -8.951 -8.320 1.00 0.00 N ATOM 544 CA ARG A 37 -13.838 -9.887 -9.396 1.00 0.00 C ATOM 545 C ARG A 37 -13.671 -9.226 -10.721 1.00 0.00 C ATOM 546 O ARG A 37 -12.977 -9.640 -11.648 1.00 0.00 O ATOM 547 CB ARG A 37 -15.096 -10.769 -9.453 1.00 0.00 C ATOM 548 CG ARG A 37 -15.381 -11.688 -8.263 1.00 0.00 C ATOM 549 CD ARG A 37 -14.193 -12.174 -7.430 1.00 0.00 C ATOM 550 NE ARG A 37 -13.315 -13.032 -8.274 1.00 0.00 N ATOM 551 CZ ARG A 37 -13.627 -14.312 -8.630 1.00 0.00 C ATOM 552 NH1 ARG A 37 -14.775 -14.963 -8.283 1.00 0.00 N ATOM 553 NH2 ARG A 37 -12.756 -15.061 -9.368 1.00 0.00 N ATOM 0 H ARG A 37 -14.849 -8.935 -7.847 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.948 -10.484 -9.198 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.958 -10.114 -9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.029 -11.390 -10.346 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.066 -11.166 -7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.908 -12.566 -8.638 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.630 -11.322 -7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.546 -12.736 -6.565 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.432 -12.641 -8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.478 -14.490 -7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.930 -15.923 -8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.862 -14.665 -9.659 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.999 -16.017 -9.629 1.00 0.00 H new ATOM 567 N SER A 38 -14.424 -8.120 -10.861 1.00 0.00 N ATOM 568 CA SER A 38 -14.475 -7.298 -12.030 1.00 0.00 C ATOM 569 C SER A 38 -13.152 -6.737 -12.421 1.00 0.00 C ATOM 570 O SER A 38 -12.809 -6.595 -13.594 1.00 0.00 O ATOM 571 CB SER A 38 -15.613 -6.264 -12.067 1.00 0.00 C ATOM 572 OG SER A 38 -16.911 -6.795 -11.844 1.00 0.00 O ATOM 0 H SER A 38 -15.032 -7.781 -10.115 1.00 0.00 H new ATOM 0 HA SER A 38 -14.748 -8.001 -12.817 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.415 -5.500 -11.315 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.601 -5.767 -13.037 1.00 0.00 H new ATOM 0 HG SER A 38 -17.001 -7.056 -10.904 1.00 0.00 H new ATOM 578 N LEU A 39 -12.325 -6.403 -11.414 1.00 0.00 N ATOM 579 CA LEU A 39 -11.005 -5.877 -11.574 1.00 0.00 C ATOM 580 C LEU A 39 -10.019 -6.969 -11.811 1.00 0.00 C ATOM 581 O LEU A 39 -8.843 -6.694 -12.041 1.00 0.00 O ATOM 582 CB LEU A 39 -10.506 -5.251 -10.261 1.00 0.00 C ATOM 583 CG LEU A 39 -11.213 -3.970 -9.784 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.345 -3.497 -8.606 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.363 -2.827 -10.802 1.00 0.00 C ATOM 0 H LEU A 39 -12.593 -6.506 -10.435 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.069 -5.168 -12.399 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.594 -6.000 -9.474 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.444 -5.030 -10.373 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.250 -4.214 -9.554 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.765 -2.581 -8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.323 -4.269 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.331 -3.305 -8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.878 -1.988 -10.334 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.377 -2.506 -11.137 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.941 -3.176 -11.658 1.00 0.00 H new ATOM 597 N GLY A 40 -10.343 -8.270 -11.919 1.00 0.00 N ATOM 598 CA GLY A 40 -9.423 -9.328 -12.201 1.00 0.00 C ATOM 599 C GLY A 40 -8.869 -10.064 -11.030 1.00 0.00 C ATOM 600 O GLY A 40 -7.857 -10.757 -11.130 1.00 0.00 O ATOM 0 H GLY A 40 -11.301 -8.602 -11.803 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.921 -10.048 -12.850 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.589 -8.912 -12.767 1.00 0.00 H new ATOM 604 N GLN A 41 -9.425 -9.765 -9.843 1.00 0.00 N ATOM 605 CA GLN A 41 -8.982 -10.414 -8.649 1.00 0.00 C ATOM 606 C GLN A 41 -9.952 -11.379 -8.058 1.00 0.00 C ATOM 607 O GLN A 41 -11.078 -11.619 -8.489 1.00 0.00 O ATOM 608 CB GLN A 41 -8.710 -9.302 -7.621 1.00 0.00 C ATOM 609 CG GLN A 41 -7.630 -8.315 -8.065 1.00 0.00 C ATOM 610 CD GLN A 41 -6.208 -8.811 -7.845 1.00 0.00 C ATOM 611 OE1 GLN A 41 -5.567 -9.363 -8.739 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.724 -8.744 -6.576 1.00 0.00 N ATOM 0 H GLN A 41 -10.172 -9.083 -9.710 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.104 -11.007 -8.906 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.635 -8.757 -7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.411 -9.756 -6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.767 -8.095 -9.124 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.764 -7.378 -7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.268 -8.283 -5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.817 -9.155 -6.354 1.00 0.00 H new ATOM 621 N ASN A 42 -9.545 -12.058 -6.971 1.00 0.00 N ATOM 622 CA ASN A 42 -10.083 -13.192 -6.284 1.00 0.00 C ATOM 623 C ASN A 42 -9.631 -13.278 -4.867 1.00 0.00 C ATOM 624 O ASN A 42 -8.809 -14.148 -4.584 1.00 0.00 O ATOM 625 CB ASN A 42 -9.846 -14.498 -7.060 1.00 0.00 C ATOM 626 CG ASN A 42 -10.778 -15.638 -6.672 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.815 -15.290 -6.110 1.00 0.00 O ATOM 628 ND2 ASN A 42 -10.445 -16.952 -6.775 1.00 0.00 N ATOM 0 H ASN A 42 -8.693 -11.753 -6.500 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.162 -13.044 -6.240 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.959 -14.299 -8.126 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.816 -14.818 -6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.059 -17.666 -6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.581 -17.224 -7.244 1.00 0.00 H new ATOM 635 N PRO A 43 -10.188 -12.433 -4.050 1.00 0.00 N ATOM 636 CA PRO A 43 -10.002 -12.580 -2.636 1.00 0.00 C ATOM 637 C PRO A 43 -10.695 -13.811 -2.161 1.00 0.00 C ATOM 638 O PRO A 43 -11.591 -14.309 -2.840 1.00 0.00 O ATOM 639 CB PRO A 43 -10.522 -11.309 -1.967 1.00 0.00 C ATOM 640 CG PRO A 43 -11.621 -10.872 -2.948 1.00 0.00 C ATOM 641 CD PRO A 43 -11.015 -11.264 -4.305 1.00 0.00 C ATOM 0 HA PRO A 43 -8.950 -12.702 -2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.916 -11.503 -0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.743 -10.554 -1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.564 -11.385 -2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.822 -9.803 -2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.796 -11.489 -5.031 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.421 -10.448 -4.718 1.00 0.00 H new ATOM 649 N THR A 44 -10.491 -14.230 -0.900 1.00 0.00 N ATOM 650 CA THR A 44 -11.491 -15.002 -0.229 1.00 0.00 C ATOM 651 C THR A 44 -12.577 -14.120 0.283 1.00 0.00 C ATOM 652 O THR A 44 -12.481 -12.905 0.450 1.00 0.00 O ATOM 653 CB THR A 44 -11.082 -15.857 0.934 1.00 0.00 C ATOM 654 OG1 THR A 44 -10.546 -15.085 1.999 1.00 0.00 O ATOM 655 CG2 THR A 44 -9.979 -16.772 0.374 1.00 0.00 C ATOM 0 H THR A 44 -9.651 -14.040 -0.353 1.00 0.00 H new ATOM 0 HA THR A 44 -11.787 -15.688 -1.022 1.00 0.00 H new ATOM 0 HB THR A 44 -11.938 -16.397 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.293 -15.677 2.738 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.621 -17.434 1.162 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.382 -17.368 -0.445 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.152 -16.163 0.008 1.00 0.00 H new ATOM 663 N GLU A 45 -13.770 -14.690 0.526 1.00 0.00 N ATOM 664 CA GLU A 45 -14.817 -14.052 1.262 1.00 0.00 C ATOM 665 C GLU A 45 -14.513 -13.635 2.660 1.00 0.00 C ATOM 666 O GLU A 45 -14.952 -12.520 2.936 1.00 0.00 O ATOM 667 CB GLU A 45 -16.110 -14.880 1.183 1.00 0.00 C ATOM 668 CG GLU A 45 -16.554 -15.251 -0.233 1.00 0.00 C ATOM 669 CD GLU A 45 -17.890 -15.961 -0.395 1.00 0.00 C ATOM 670 OE1 GLU A 45 -18.684 -15.902 0.582 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.266 -16.550 -1.444 1.00 0.00 O ATOM 0 H GLU A 45 -14.014 -15.625 0.200 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.946 -13.095 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.972 -15.797 1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.912 -14.320 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.587 -14.336 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.783 -15.885 -0.670 1.00 0.00 H new ATOM 678 N ALA A 46 -13.729 -14.362 3.476 1.00 0.00 N ATOM 679 CA ALA A 46 -13.432 -13.957 4.815 1.00 0.00 C ATOM 680 C ALA A 46 -12.505 -12.791 4.833 1.00 0.00 C ATOM 681 O ALA A 46 -12.635 -11.965 5.736 1.00 0.00 O ATOM 682 CB ALA A 46 -12.880 -15.175 5.575 1.00 0.00 C ATOM 0 H ALA A 46 -13.295 -15.244 3.203 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.337 -13.615 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.646 -14.889 6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.627 -15.969 5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.975 -15.532 5.083 1.00 0.00 H new ATOM 688 N GLU A 47 -11.527 -12.625 3.925 1.00 0.00 N ATOM 689 CA GLU A 47 -10.768 -11.426 3.747 1.00 0.00 C ATOM 690 C GLU A 47 -11.558 -10.232 3.334 1.00 0.00 C ATOM 691 O GLU A 47 -11.251 -9.149 3.829 1.00 0.00 O ATOM 692 CB GLU A 47 -9.495 -11.671 2.920 1.00 0.00 C ATOM 693 CG GLU A 47 -8.504 -12.556 3.680 1.00 0.00 C ATOM 694 CD GLU A 47 -7.322 -13.103 2.893 1.00 0.00 C ATOM 695 OE1 GLU A 47 -6.678 -12.254 2.221 1.00 0.00 O ATOM 696 OE2 GLU A 47 -6.959 -14.308 2.956 1.00 0.00 O ATOM 0 H GLU A 47 -11.251 -13.367 3.281 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.431 -11.142 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.758 -12.144 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.025 -10.717 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.115 -11.983 4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.054 -13.400 4.096 1.00 0.00 H new ATOM 703 N LEU A 48 -12.635 -10.407 2.547 1.00 0.00 N ATOM 704 CA LEU A 48 -13.511 -9.345 2.162 1.00 0.00 C ATOM 705 C LEU A 48 -14.351 -9.016 3.348 1.00 0.00 C ATOM 706 O LEU A 48 -14.435 -7.840 3.699 1.00 0.00 O ATOM 707 CB LEU A 48 -14.481 -9.770 1.047 1.00 0.00 C ATOM 708 CG LEU A 48 -13.955 -9.774 -0.398 1.00 0.00 C ATOM 709 CD1 LEU A 48 -14.991 -10.609 -1.168 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.817 -8.332 -0.915 1.00 0.00 C ATOM 0 H LEU A 48 -12.904 -11.315 2.167 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.904 -8.512 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.836 -10.775 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.347 -9.109 1.086 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.958 -10.201 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.702 -10.670 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.037 -11.612 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.970 -10.137 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.444 -8.347 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.790 -7.842 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.119 -7.784 -0.282 1.00 0.00 H new ATOM 722 N GLN A 49 -14.844 -9.976 4.152 1.00 0.00 N ATOM 723 CA GLN A 49 -15.484 -9.781 5.416 1.00 0.00 C ATOM 724 C GLN A 49 -14.587 -9.164 6.434 1.00 0.00 C ATOM 725 O GLN A 49 -15.019 -8.341 7.239 1.00 0.00 O ATOM 726 CB GLN A 49 -16.065 -11.093 5.969 1.00 0.00 C ATOM 727 CG GLN A 49 -17.208 -10.871 6.962 1.00 0.00 C ATOM 728 CD GLN A 49 -18.416 -10.188 6.336 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.061 -10.702 5.424 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.719 -8.980 6.884 1.00 0.00 N ATOM 0 H GLN A 49 -14.790 -10.962 3.898 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.299 -9.083 5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.425 -11.702 5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.271 -11.658 6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.515 -11.832 7.375 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -16.847 -10.267 7.794 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.146 -8.605 7.640 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.519 -8.450 6.539 1.00 0.00 H new ATOM 739 N ASP A 50 -13.261 -9.387 6.466 1.00 0.00 N ATOM 740 CA ASP A 50 -12.370 -8.749 7.386 1.00 0.00 C ATOM 741 C ASP A 50 -12.263 -7.287 7.120 1.00 0.00 C ATOM 742 O ASP A 50 -12.531 -6.561 8.076 1.00 0.00 O ATOM 743 CB ASP A 50 -11.056 -9.541 7.282 1.00 0.00 C ATOM 744 CG ASP A 50 -10.044 -9.167 8.355 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.466 -9.139 9.542 1.00 0.00 O ATOM 746 OD2 ASP A 50 -8.818 -8.980 8.129 1.00 0.00 O ATOM 0 H ASP A 50 -12.793 -10.033 5.830 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.722 -8.773 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.275 -10.606 7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.614 -9.372 6.300 1.00 0.00 H new ATOM 751 N MET A 51 -12.088 -6.875 5.852 1.00 0.00 N ATOM 752 CA MET A 51 -12.062 -5.521 5.394 1.00 0.00 C ATOM 753 C MET A 51 -13.247 -4.697 5.765 1.00 0.00 C ATOM 754 O MET A 51 -13.135 -3.547 6.185 1.00 0.00 O ATOM 755 CB MET A 51 -12.044 -5.550 3.856 1.00 0.00 C ATOM 756 CG MET A 51 -11.898 -4.301 2.984 1.00 0.00 C ATOM 757 SD MET A 51 -12.130 -4.631 1.211 1.00 0.00 S ATOM 758 CE MET A 51 -10.746 -5.761 0.887 1.00 0.00 C ATOM 0 H MET A 51 -11.955 -7.540 5.090 1.00 0.00 H new ATOM 0 HA MET A 51 -11.188 -5.070 5.864 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.230 -6.218 3.572 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.973 -6.031 3.548 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.624 -3.555 3.306 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.909 -3.871 3.140 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.600 -5.858 -0.189 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.838 -5.365 1.343 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.968 -6.740 1.312 1.00 0.00 H new ATOM 768 N ILE A 52 -14.433 -5.315 5.616 1.00 0.00 N ATOM 769 CA ILE A 52 -15.743 -4.854 5.955 1.00 0.00 C ATOM 770 C ILE A 52 -15.860 -4.692 7.431 1.00 0.00 C ATOM 771 O ILE A 52 -16.158 -3.665 8.039 1.00 0.00 O ATOM 772 CB ILE A 52 -16.835 -5.680 5.341 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.788 -5.530 3.811 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.201 -5.272 5.920 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.550 -6.661 3.122 1.00 0.00 C ATOM 0 H ILE A 52 -14.473 -6.249 5.209 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.885 -3.869 5.511 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.686 -6.732 5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.218 -4.570 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.751 -5.529 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.984 -5.879 5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.200 -5.428 6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.387 -4.220 5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.499 -6.528 2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.103 -7.618 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.592 -6.645 3.441 1.00 0.00 H new ATOM 787 N ASN A 53 -15.664 -5.811 8.151 1.00 0.00 N ATOM 788 CA ASN A 53 -15.727 -5.902 9.577 1.00 0.00 C ATOM 789 C ASN A 53 -14.801 -4.990 10.304 1.00 0.00 C ATOM 790 O ASN A 53 -15.109 -4.704 11.460 1.00 0.00 O ATOM 791 CB ASN A 53 -15.403 -7.297 10.139 1.00 0.00 C ATOM 792 CG ASN A 53 -16.549 -8.263 9.874 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.657 -7.932 9.453 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.154 -9.531 10.163 1.00 0.00 N ATOM 0 H ASN A 53 -15.449 -6.706 7.711 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.768 -5.628 9.747 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.489 -7.675 9.682 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.219 -7.229 11.211 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.801 -10.309 10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.210 -9.705 10.509 1.00 0.00 H new ATOM 801 N GLU A 54 -13.742 -4.486 9.644 1.00 0.00 N ATOM 802 CA GLU A 54 -12.845 -3.486 10.133 1.00 0.00 C ATOM 803 C GLU A 54 -13.576 -2.217 10.409 1.00 0.00 C ATOM 804 O GLU A 54 -13.481 -1.646 11.494 1.00 0.00 O ATOM 805 CB GLU A 54 -11.565 -3.381 9.287 1.00 0.00 C ATOM 806 CG GLU A 54 -10.246 -3.033 9.981 1.00 0.00 C ATOM 807 CD GLU A 54 -10.373 -1.856 10.937 1.00 0.00 C ATOM 808 OE1 GLU A 54 -10.250 -0.728 10.389 1.00 0.00 O ATOM 809 OE2 GLU A 54 -10.375 -2.026 12.185 1.00 0.00 O ATOM 0 H GLU A 54 -13.497 -4.800 8.705 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.453 -3.789 11.104 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.428 -4.335 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.740 -2.630 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.889 -3.904 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.494 -2.802 9.226 1.00 0.00 H new ATOM 816 N VAL A 55 -14.436 -1.790 9.467 1.00 0.00 N ATOM 817 CA VAL A 55 -15.181 -0.570 9.494 1.00 0.00 C ATOM 818 C VAL A 55 -16.626 -0.636 9.851 1.00 0.00 C ATOM 819 O VAL A 55 -17.344 0.357 9.744 1.00 0.00 O ATOM 820 CB VAL A 55 -15.127 0.148 8.179 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.685 0.419 7.716 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.681 -0.668 6.999 1.00 0.00 C ATOM 0 H VAL A 55 -14.623 -2.338 8.627 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.670 -0.052 10.306 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.710 1.046 8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.702 0.941 6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.175 1.035 8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.155 -0.527 7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.607 -0.080 6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.104 -1.586 6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.725 -0.917 7.187 1.00 0.00 H new ATOM 832 N ASP A 56 -17.082 -1.822 10.295 1.00 0.00 N ATOM 833 CA ASP A 56 -18.426 -1.993 10.751 1.00 0.00 C ATOM 834 C ASP A 56 -18.661 -1.411 12.102 1.00 0.00 C ATOM 835 O ASP A 56 -18.212 -1.957 13.109 1.00 0.00 O ATOM 836 CB ASP A 56 -18.927 -3.429 10.522 1.00 0.00 C ATOM 837 CG ASP A 56 -20.422 -3.700 10.600 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.082 -2.830 9.971 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.872 -4.678 11.256 1.00 0.00 O ATOM 0 H ASP A 56 -16.514 -2.668 10.338 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.079 -1.387 10.123 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.584 -3.746 9.537 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.436 -4.071 11.253 1.00 0.00 H new ATOM 844 N ALA A 57 -19.321 -0.240 12.153 1.00 0.00 N ATOM 845 CA ALA A 57 -19.602 0.390 13.405 1.00 0.00 C ATOM 846 C ALA A 57 -20.823 -0.086 14.115 1.00 0.00 C ATOM 847 O ALA A 57 -20.766 -0.340 15.317 1.00 0.00 O ATOM 848 CB ALA A 57 -19.642 1.924 13.306 1.00 0.00 C ATOM 0 H ALA A 57 -19.658 0.267 11.334 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.752 0.079 14.013 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.859 2.346 14.287 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.676 2.291 12.959 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -20.419 2.223 12.602 1.00 0.00 H new ATOM 854 N ASP A 58 -21.913 -0.307 13.357 1.00 0.00 N ATOM 855 CA ASP A 58 -23.236 -0.529 13.851 1.00 0.00 C ATOM 856 C ASP A 58 -23.661 -1.951 13.983 1.00 0.00 C ATOM 857 O ASP A 58 -24.635 -2.271 14.664 1.00 0.00 O ATOM 858 CB ASP A 58 -24.240 0.356 13.093 1.00 0.00 C ATOM 859 CG ASP A 58 -24.301 -0.091 11.639 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.286 0.045 10.904 1.00 0.00 O ATOM 861 OD2 ASP A 58 -25.365 -0.666 11.285 1.00 0.00 O ATOM 0 H ASP A 58 -21.866 -0.332 12.338 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.219 -0.217 14.895 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -25.227 0.282 13.551 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.939 1.402 13.152 1.00 0.00 H new ATOM 866 N GLY A 59 -22.844 -2.837 13.385 1.00 0.00 N ATOM 867 CA GLY A 59 -23.006 -4.223 13.695 1.00 0.00 C ATOM 868 C GLY A 59 -23.903 -4.986 12.782 1.00 0.00 C ATOM 869 O GLY A 59 -24.357 -6.074 13.132 1.00 0.00 O ATOM 0 H GLY A 59 -22.106 -2.611 12.719 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.024 -4.696 13.689 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.394 -4.307 14.710 1.00 0.00 H new ATOM 873 N ASN A 60 -24.284 -4.429 11.618 1.00 0.00 N ATOM 874 CA ASN A 60 -25.150 -5.055 10.668 1.00 0.00 C ATOM 875 C ASN A 60 -24.450 -5.910 9.668 1.00 0.00 C ATOM 876 O ASN A 60 -25.044 -6.754 8.999 1.00 0.00 O ATOM 877 CB ASN A 60 -26.097 -4.031 10.019 1.00 0.00 C ATOM 878 CG ASN A 60 -25.538 -2.822 9.281 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.331 -2.624 9.158 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.484 -2.049 8.684 1.00 0.00 N ATOM 0 H ASN A 60 -23.975 -3.502 11.327 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.760 -5.758 11.236 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.726 -4.575 9.315 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.751 -3.654 10.805 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -26.204 -1.260 8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.473 -2.258 8.820 1.00 0.00 H new ATOM 887 N GLY A 61 -23.131 -5.681 9.537 1.00 0.00 N ATOM 888 CA GLY A 61 -22.311 -6.449 8.653 1.00 0.00 C ATOM 889 C GLY A 61 -22.140 -5.919 7.271 1.00 0.00 C ATOM 890 O GLY A 61 -21.171 -6.221 6.577 1.00 0.00 O ATOM 0 H GLY A 61 -22.629 -4.956 10.049 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.324 -6.548 9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.732 -7.452 8.583 1.00 0.00 H new ATOM 894 N THR A 62 -23.007 -5.020 6.773 1.00 0.00 N ATOM 895 CA THR A 62 -22.761 -4.317 5.552 1.00 0.00 C ATOM 896 C THR A 62 -22.093 -2.996 5.720 1.00 0.00 C ATOM 897 O THR A 62 -21.770 -2.544 6.818 1.00 0.00 O ATOM 898 CB THR A 62 -23.975 -4.145 4.688 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.929 -3.230 5.205 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.697 -5.497 4.560 1.00 0.00 C ATOM 0 H THR A 62 -23.890 -4.778 7.223 1.00 0.00 H new ATOM 0 HA THR A 62 -22.065 -4.983 5.042 1.00 0.00 H new ATOM 0 HB THR A 62 -23.607 -3.758 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.832 -3.577 5.050 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.581 -5.380 3.933 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.025 -6.227 4.108 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.997 -5.844 5.549 1.00 0.00 H new ATOM 908 N ILE A 63 -21.669 -2.410 4.586 1.00 0.00 N ATOM 909 CA ILE A 63 -20.981 -1.159 4.504 1.00 0.00 C ATOM 910 C ILE A 63 -22.010 -0.135 4.171 1.00 0.00 C ATOM 911 O ILE A 63 -22.453 0.046 3.037 1.00 0.00 O ATOM 912 CB ILE A 63 -19.929 -1.057 3.439 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.262 -2.417 3.171 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.851 -0.042 3.854 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.362 -2.522 1.941 1.00 0.00 C ATOM 0 H ILE A 63 -21.816 -2.836 3.671 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.469 -1.029 5.457 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.421 -0.726 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.669 -2.681 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.048 -3.167 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.093 0.023 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.309 0.937 3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.386 -0.366 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.957 -3.532 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.943 -2.301 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.543 -1.808 2.028 1.00 0.00 H new ATOM 927 N ASP A 64 -22.289 0.618 5.250 1.00 0.00 N ATOM 928 CA ASP A 64 -22.966 1.871 5.121 1.00 0.00 C ATOM 929 C ASP A 64 -22.072 2.938 4.590 1.00 0.00 C ATOM 930 O ASP A 64 -20.850 2.860 4.699 1.00 0.00 O ATOM 931 CB ASP A 64 -23.598 2.189 6.487 1.00 0.00 C ATOM 932 CG ASP A 64 -24.561 1.176 7.088 1.00 0.00 C ATOM 933 OD1 ASP A 64 -24.015 0.187 7.645 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.800 1.405 7.122 1.00 0.00 O ATOM 0 H ASP A 64 -22.047 0.361 6.207 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.760 1.815 4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.788 2.342 7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.127 3.138 6.396 1.00 0.00 H new ATOM 939 N PHE A 65 -22.599 4.042 4.029 1.00 0.00 N ATOM 940 CA PHE A 65 -21.792 5.011 3.356 1.00 0.00 C ATOM 941 C PHE A 65 -20.768 5.657 4.225 1.00 0.00 C ATOM 942 O PHE A 65 -19.631 5.641 3.755 1.00 0.00 O ATOM 943 CB PHE A 65 -22.593 6.012 2.505 1.00 0.00 C ATOM 944 CG PHE A 65 -21.826 7.042 1.750 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.119 6.642 0.641 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.919 8.394 1.983 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.450 7.540 -0.158 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.243 9.314 1.217 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.534 8.884 0.120 1.00 0.00 C ATOM 0 H PHE A 65 -23.594 4.264 4.043 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.219 4.427 2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.188 5.444 1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.292 6.528 3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.088 5.592 0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.542 8.744 2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.864 7.193 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.269 10.363 1.474 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.044 9.601 -0.522 1.00 0.00 H new ATOM 959 N PRO A 66 -20.954 6.272 5.355 1.00 0.00 N ATOM 960 CA PRO A 66 -19.806 6.800 6.034 1.00 0.00 C ATOM 961 C PRO A 66 -18.823 5.849 6.626 1.00 0.00 C ATOM 962 O PRO A 66 -17.746 6.317 6.990 1.00 0.00 O ATOM 963 CB PRO A 66 -20.433 7.773 7.030 1.00 0.00 C ATOM 964 CG PRO A 66 -21.819 7.186 7.340 1.00 0.00 C ATOM 965 CD PRO A 66 -22.226 6.620 5.970 1.00 0.00 C ATOM 0 HA PRO A 66 -19.122 7.258 5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.829 7.857 7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.514 8.774 6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.775 6.412 8.107 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.516 7.945 7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.874 5.750 6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.770 7.355 5.378 1.00 0.00 H new ATOM 973 N GLU A 67 -19.066 4.526 6.641 1.00 0.00 N ATOM 974 CA GLU A 67 -18.089 3.487 6.738 1.00 0.00 C ATOM 975 C GLU A 67 -17.382 3.207 5.457 1.00 0.00 C ATOM 976 O GLU A 67 -16.236 2.765 5.407 1.00 0.00 O ATOM 977 CB GLU A 67 -18.605 2.121 7.222 1.00 0.00 C ATOM 978 CG GLU A 67 -19.521 2.250 8.440 1.00 0.00 C ATOM 979 CD GLU A 67 -20.450 1.056 8.607 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.819 0.349 7.632 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.864 0.723 9.750 1.00 0.00 O ATOM 0 H GLU A 67 -20.015 4.157 6.581 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.423 3.914 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.146 1.631 6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.758 1.482 7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.912 2.359 9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.117 3.158 8.347 1.00 0.00 H new ATOM 988 N PHE A 68 -17.976 3.464 4.277 1.00 0.00 N ATOM 989 CA PHE A 68 -17.342 3.305 3.005 1.00 0.00 C ATOM 990 C PHE A 68 -16.325 4.383 2.849 1.00 0.00 C ATOM 991 O PHE A 68 -15.194 4.114 2.449 1.00 0.00 O ATOM 992 CB PHE A 68 -18.272 3.571 1.809 1.00 0.00 C ATOM 993 CG PHE A 68 -17.655 3.392 0.465 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.110 2.185 0.095 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.572 4.412 -0.453 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.580 1.979 -1.157 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.070 4.227 -1.720 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.694 2.963 -2.110 1.00 0.00 C ATOM 0 H PHE A 68 -18.938 3.796 4.207 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.970 2.280 2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.133 2.907 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.649 4.591 1.884 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.098 1.375 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.914 5.396 -0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.078 1.051 -1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.973 5.062 -2.398 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.491 2.747 -3.149 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.639 5.576 3.385 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.741 6.689 3.409 1.00 0.00 C ATOM 1010 C LEU A 69 -14.638 6.448 4.381 1.00 0.00 C ATOM 1011 O LEU A 69 -13.509 6.838 4.086 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.373 8.056 3.724 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.575 8.471 2.859 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.195 9.723 3.502 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.085 8.670 1.415 1.00 0.00 C ATOM 0 H LEU A 69 -17.543 5.772 3.814 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.377 6.752 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.688 8.054 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.602 8.820 3.625 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.358 7.714 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.053 10.047 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.518 9.489 4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.454 10.521 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.923 8.965 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.323 9.449 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.661 7.737 1.043 1.00 0.00 H new ATOM 1027 N THR A 70 -14.940 5.905 5.574 1.00 0.00 N ATOM 1028 CA THR A 70 -13.990 5.462 6.547 1.00 0.00 C ATOM 1029 C THR A 70 -13.110 4.408 5.970 1.00 0.00 C ATOM 1030 O THR A 70 -11.887 4.468 6.088 1.00 0.00 O ATOM 1031 CB THR A 70 -14.588 4.920 7.812 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.274 5.965 8.486 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.460 4.436 8.738 1.00 0.00 C ATOM 0 H THR A 70 -15.904 5.767 5.877 1.00 0.00 H new ATOM 0 HA THR A 70 -13.432 6.360 6.813 1.00 0.00 H new ATOM 0 HB THR A 70 -15.266 4.103 7.568 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.125 6.143 8.033 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.889 4.041 9.659 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.890 3.653 8.238 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.800 5.271 8.974 1.00 0.00 H new ATOM 1041 N MET A 71 -13.630 3.474 5.154 1.00 0.00 N ATOM 1042 CA MET A 71 -12.928 2.478 4.405 1.00 0.00 C ATOM 1043 C MET A 71 -11.877 3.007 3.491 1.00 0.00 C ATOM 1044 O MET A 71 -10.716 2.604 3.528 1.00 0.00 O ATOM 1045 CB MET A 71 -13.765 1.454 3.621 1.00 0.00 C ATOM 1046 CG MET A 71 -13.010 0.322 2.920 1.00 0.00 C ATOM 1047 SD MET A 71 -13.986 -0.957 2.073 1.00 0.00 S ATOM 1048 CE MET A 71 -15.008 -1.733 3.358 1.00 0.00 C ATOM 0 H MET A 71 -14.637 3.412 5.006 1.00 0.00 H new ATOM 0 HA MET A 71 -12.470 1.943 5.237 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.482 1.006 4.309 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.340 1.993 2.868 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.340 0.771 2.187 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.384 -0.173 3.663 1.00 0.00 H new ATOM 0 HE1 MET A 71 -15.542 -2.583 2.934 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.370 -2.075 4.173 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.726 -1.007 3.739 1.00 0.00 H new ATOM 1058 N MET A 72 -12.234 3.904 2.554 1.00 0.00 N ATOM 1059 CA MET A 72 -11.419 4.700 1.690 1.00 0.00 C ATOM 1060 C MET A 72 -10.290 5.467 2.288 1.00 0.00 C ATOM 1061 O MET A 72 -9.155 5.521 1.816 1.00 0.00 O ATOM 1062 CB MET A 72 -12.282 5.567 0.758 1.00 0.00 C ATOM 1063 CG MET A 72 -12.998 4.907 -0.422 1.00 0.00 C ATOM 1064 SD MET A 72 -11.774 4.057 -1.465 1.00 0.00 S ATOM 1065 CE MET A 72 -12.864 2.754 -2.106 1.00 0.00 C ATOM 0 H MET A 72 -13.222 4.091 2.385 1.00 0.00 H new ATOM 0 HA MET A 72 -10.880 3.948 1.114 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.040 6.054 1.371 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.643 6.354 0.356 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.741 4.197 -0.060 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.532 5.658 -1.005 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.301 2.108 -2.780 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.252 2.163 -1.276 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.694 3.208 -2.647 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.698 6.196 3.342 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.678 6.851 4.100 1.00 0.00 C ATOM 1077 C ALA A 73 -8.696 5.954 4.774 1.00 0.00 C ATOM 1078 O ALA A 73 -7.505 6.193 4.962 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.432 7.575 5.227 1.00 0.00 C ATOM 0 H ALA A 73 -11.660 6.328 3.654 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.104 7.470 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.720 8.106 5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.135 8.287 4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.977 6.846 5.827 1.00 0.00 H new ATOM 1234 N GLU A 83 -3.266 9.492 -7.751 1.00 0.00 N ATOM 1235 CA GLU A 83 -3.203 10.841 -8.221 1.00 0.00 C ATOM 1236 C GLU A 83 -2.281 11.157 -9.348 1.00 0.00 C ATOM 1237 O GLU A 83 -2.544 12.124 -10.061 1.00 0.00 O ATOM 1238 CB GLU A 83 -2.750 11.729 -7.050 1.00 0.00 C ATOM 1239 CG GLU A 83 -3.692 11.969 -5.869 1.00 0.00 C ATOM 1240 CD GLU A 83 -4.878 12.792 -6.353 1.00 0.00 C ATOM 1241 OE1 GLU A 83 -4.740 13.994 -6.704 1.00 0.00 O ATOM 1242 OE2 GLU A 83 -5.926 12.142 -6.609 1.00 0.00 O ATOM 0 HA GLU A 83 -4.207 11.019 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.832 11.298 -6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.491 12.704 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.033 11.019 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.169 12.493 -5.069 1.00 0.00 H new ATOM 1249 N GLU A 84 -1.258 10.320 -9.598 1.00 0.00 N ATOM 1250 CA GLU A 84 -0.471 10.388 -10.790 1.00 0.00 C ATOM 1251 C GLU A 84 -1.274 10.134 -12.019 1.00 0.00 C ATOM 1252 O GLU A 84 -1.243 10.862 -13.010 1.00 0.00 O ATOM 1253 CB GLU A 84 0.760 9.466 -10.818 1.00 0.00 C ATOM 1254 CG GLU A 84 1.457 9.363 -12.177 1.00 0.00 C ATOM 1255 CD GLU A 84 2.905 8.916 -12.032 1.00 0.00 C ATOM 1256 OE1 GLU A 84 3.032 7.828 -11.411 1.00 0.00 O ATOM 1257 OE2 GLU A 84 3.898 9.537 -12.496 1.00 0.00 O ATOM 0 H GLU A 84 -0.971 9.580 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.108 11.416 -10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.481 9.824 -10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.455 8.467 -10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.919 8.657 -12.810 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.423 10.330 -12.678 1.00 0.00 H new ATOM 1264 N ILE A 85 -2.086 9.062 -11.996 1.00 0.00 N ATOM 1265 CA ILE A 85 -2.909 8.488 -13.015 1.00 0.00 C ATOM 1266 C ILE A 85 -4.141 9.319 -13.122 1.00 0.00 C ATOM 1267 O ILE A 85 -4.641 9.507 -14.230 1.00 0.00 O ATOM 1268 CB ILE A 85 -3.042 6.995 -12.959 1.00 0.00 C ATOM 1269 CG1 ILE A 85 -4.101 6.548 -11.938 1.00 0.00 C ATOM 1270 CG2 ILE A 85 -1.691 6.291 -12.747 1.00 0.00 C ATOM 1271 CD1 ILE A 85 -4.265 5.053 -11.670 1.00 0.00 C ATOM 0 H ILE A 85 -2.173 8.524 -11.134 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.421 8.540 -13.988 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.399 6.678 -13.939 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.873 7.033 -10.989 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.065 6.934 -12.269 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.844 5.212 -12.714 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.019 6.537 -13.569 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.251 6.624 -11.807 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.049 4.900 -10.928 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.537 4.545 -12.595 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.326 4.645 -11.295 1.00 0.00 H new ATOM 1283 N ARG A 86 -4.697 9.849 -12.017 1.00 0.00 N ATOM 1284 CA ARG A 86 -5.784 10.773 -12.114 1.00 0.00 C ATOM 1285 C ARG A 86 -5.426 12.053 -12.786 1.00 0.00 C ATOM 1286 O ARG A 86 -6.095 12.429 -13.747 1.00 0.00 O ATOM 1287 CB ARG A 86 -6.332 11.098 -10.714 1.00 0.00 C ATOM 1288 CG ARG A 86 -7.643 11.886 -10.675 1.00 0.00 C ATOM 1289 CD ARG A 86 -8.241 12.254 -9.315 1.00 0.00 C ATOM 1290 NE ARG A 86 -7.364 13.284 -8.690 1.00 0.00 N ATOM 1291 CZ ARG A 86 -7.598 14.628 -8.757 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -8.541 15.206 -9.557 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -6.765 15.442 -8.045 1.00 0.00 N ATOM 0 H ARG A 86 -4.397 9.640 -11.065 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.536 10.278 -12.729 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.478 10.161 -10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.575 11.663 -10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.488 12.812 -11.229 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.391 11.310 -11.220 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.254 12.638 -9.435 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.308 11.373 -8.677 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.539 12.966 -8.181 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.127 14.625 -10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.660 16.219 -9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.007 15.039 -7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.901 16.453 -8.064 1.00 0.00 H new ATOM 1307 N GLU A 87 -4.278 12.683 -12.478 1.00 0.00 N ATOM 1308 CA GLU A 87 -3.557 13.589 -13.317 1.00 0.00 C ATOM 1309 C GLU A 87 -3.407 13.145 -14.732 1.00 0.00 C ATOM 1310 O GLU A 87 -3.747 13.911 -15.632 1.00 0.00 O ATOM 1311 CB GLU A 87 -2.359 14.286 -12.650 1.00 0.00 C ATOM 1312 CG GLU A 87 -1.593 15.255 -13.554 1.00 0.00 C ATOM 1313 CD GLU A 87 -0.410 15.981 -12.929 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -0.596 16.665 -11.887 1.00 0.00 O ATOM 1315 OE2 GLU A 87 0.762 15.686 -13.285 1.00 0.00 O ATOM 0 H GLU A 87 -3.821 12.548 -11.576 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.225 14.441 -13.444 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.715 14.831 -11.776 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.668 13.524 -12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.233 14.700 -14.420 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.295 16.003 -13.924 1.00 0.00 H new ATOM 1322 N ALA A 88 -2.860 11.948 -15.008 1.00 0.00 N ATOM 1323 CA ALA A 88 -2.671 11.499 -16.352 1.00 0.00 C ATOM 1324 C ALA A 88 -3.882 11.455 -17.220 1.00 0.00 C ATOM 1325 O ALA A 88 -3.874 11.793 -18.403 1.00 0.00 O ATOM 1326 CB ALA A 88 -1.962 10.135 -16.417 1.00 0.00 C ATOM 0 H ALA A 88 -2.547 11.288 -14.296 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.039 12.285 -16.764 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.842 9.837 -17.458 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.982 10.211 -15.946 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.559 9.389 -15.893 1.00 0.00 H new ATOM 1332 N PHE A 89 -5.071 11.106 -16.699 1.00 0.00 N ATOM 1333 CA PHE A 89 -6.244 11.040 -17.514 1.00 0.00 C ATOM 1334 C PHE A 89 -6.640 12.293 -18.216 1.00 0.00 C ATOM 1335 O PHE A 89 -6.788 12.419 -19.430 1.00 0.00 O ATOM 1336 CB PHE A 89 -7.403 10.481 -16.672 1.00 0.00 C ATOM 1337 CG PHE A 89 -8.528 10.062 -17.554 1.00 0.00 C ATOM 1338 CD1 PHE A 89 -8.416 8.877 -18.242 1.00 0.00 C ATOM 1339 CD2 PHE A 89 -9.648 10.856 -17.634 1.00 0.00 C ATOM 1340 CE1 PHE A 89 -9.494 8.443 -18.977 1.00 0.00 C ATOM 1341 CE2 PHE A 89 -10.706 10.425 -18.399 1.00 0.00 C ATOM 1342 CZ PHE A 89 -10.622 9.225 -19.066 1.00 0.00 C ATOM 0 H PHE A 89 -5.221 10.870 -15.718 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.990 10.373 -18.338 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.057 9.631 -16.084 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.747 11.238 -15.967 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.503 8.301 -18.206 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.695 11.798 -17.107 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -9.455 7.490 -19.483 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -11.600 11.026 -18.476 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.454 8.892 -19.669 1.00 0.00 H new ATOM 1352 N ARG A 90 -6.731 13.364 -17.407 1.00 0.00 N ATOM 1353 CA ARG A 90 -7.033 14.675 -17.892 1.00 0.00 C ATOM 1354 C ARG A 90 -5.944 15.492 -18.496 1.00 0.00 C ATOM 1355 O ARG A 90 -6.153 16.490 -19.184 1.00 0.00 O ATOM 1356 CB ARG A 90 -7.636 15.427 -16.693 1.00 0.00 C ATOM 1357 CG ARG A 90 -6.676 15.521 -15.505 1.00 0.00 C ATOM 1358 CD ARG A 90 -7.122 16.560 -14.474 1.00 0.00 C ATOM 1359 NE ARG A 90 -7.119 17.858 -15.206 1.00 0.00 N ATOM 1360 CZ ARG A 90 -7.482 18.965 -14.494 1.00 0.00 C ATOM 1361 NH1 ARG A 90 -8.035 18.948 -13.246 1.00 0.00 N ATOM 1362 NH2 ARG A 90 -7.220 20.199 -15.015 1.00 0.00 N ATOM 0 H ARG A 90 -6.592 13.319 -16.398 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.693 14.530 -18.747 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.918 16.432 -17.006 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.549 14.923 -16.377 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.601 14.546 -15.024 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.680 15.776 -15.866 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.114 16.329 -14.085 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.443 16.586 -13.622 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.859 17.917 -16.190 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.206 18.059 -12.776 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.277 19.824 -12.784 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.760 20.283 -15.922 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.484 21.038 -14.498 1.00 0.00 H new ATOM 1376 N VAL A 91 -4.688 15.037 -18.341 1.00 0.00 N ATOM 1377 CA VAL A 91 -3.533 15.399 -19.102 1.00 0.00 C ATOM 1378 C VAL A 91 -3.679 14.881 -20.492 1.00 0.00 C ATOM 1379 O VAL A 91 -3.434 15.504 -21.524 1.00 0.00 O ATOM 1380 CB VAL A 91 -2.217 15.060 -18.467 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -1.048 15.116 -19.465 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -1.995 15.903 -17.200 1.00 0.00 C ATOM 0 H VAL A 91 -4.463 14.354 -17.617 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.496 16.488 -19.132 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.252 14.018 -18.148 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.120 14.862 -18.953 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.224 14.404 -20.272 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.971 16.121 -19.879 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.035 15.643 -16.753 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.999 16.961 -17.462 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.794 15.703 -16.486 1.00 0.00 H new ATOM 1392 N PHE A 92 -4.088 13.607 -20.627 1.00 0.00 N ATOM 1393 CA PHE A 92 -4.134 12.941 -21.892 1.00 0.00 C ATOM 1394 C PHE A 92 -5.198 13.473 -22.789 1.00 0.00 C ATOM 1395 O PHE A 92 -4.982 13.632 -23.989 1.00 0.00 O ATOM 1396 CB PHE A 92 -4.346 11.431 -21.694 1.00 0.00 C ATOM 1397 CG PHE A 92 -3.177 10.579 -21.334 1.00 0.00 C ATOM 1398 CD1 PHE A 92 -2.150 10.968 -20.507 1.00 0.00 C ATOM 1399 CD2 PHE A 92 -3.149 9.354 -21.957 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -1.098 10.104 -20.309 1.00 0.00 C ATOM 1401 CE2 PHE A 92 -2.174 8.446 -21.618 1.00 0.00 C ATOM 1402 CZ PHE A 92 -1.121 8.828 -20.820 1.00 0.00 C ATOM 0 H PHE A 92 -4.392 13.029 -19.844 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.174 13.128 -22.373 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.098 11.303 -20.916 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.771 11.034 -22.616 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.169 11.933 -20.022 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.887 9.107 -22.706 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.240 10.434 -19.743 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.235 7.430 -21.979 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.323 8.135 -20.598 1.00 0.00 H new ATOM 1412 N ASP A 93 -6.369 13.828 -22.230 1.00 0.00 N ATOM 1413 CA ASP A 93 -7.319 14.594 -22.977 1.00 0.00 C ATOM 1414 C ASP A 93 -7.105 16.066 -22.891 1.00 0.00 C ATOM 1415 O ASP A 93 -6.866 16.711 -21.871 1.00 0.00 O ATOM 1416 CB ASP A 93 -8.718 14.086 -22.589 1.00 0.00 C ATOM 1417 CG ASP A 93 -9.648 14.170 -23.790 1.00 0.00 C ATOM 1418 OD1 ASP A 93 -9.193 14.069 -24.961 1.00 0.00 O ATOM 1419 OD2 ASP A 93 -10.890 14.371 -23.712 1.00 0.00 O ATOM 0 H ASP A 93 -6.655 13.591 -21.280 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.188 14.437 -24.048 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.656 13.056 -22.237 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.116 14.681 -21.767 1.00 0.00 H new ATOM 1424 N LYS A 94 -7.270 16.828 -23.987 1.00 0.00 N ATOM 1425 CA LYS A 94 -7.119 18.240 -24.153 1.00 0.00 C ATOM 1426 C LYS A 94 -8.344 18.940 -23.673 1.00 0.00 C ATOM 1427 O LYS A 94 -8.311 19.657 -22.674 1.00 0.00 O ATOM 1428 CB LYS A 94 -6.543 18.578 -25.539 1.00 0.00 C ATOM 1429 CG LYS A 94 -5.908 19.969 -25.576 1.00 0.00 C ATOM 1430 CD LYS A 94 -4.834 20.428 -24.588 1.00 0.00 C ATOM 1431 CE LYS A 94 -3.659 19.455 -24.483 1.00 0.00 C ATOM 1432 NZ LYS A 94 -2.812 19.759 -23.308 1.00 0.00 N ATOM 0 H LYS A 94 -7.545 16.393 -24.868 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.346 18.657 -23.507 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.797 17.832 -25.812 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.337 18.523 -26.284 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.481 20.086 -26.572 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.727 20.684 -25.495 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.462 21.406 -24.894 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.284 20.552 -23.603 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.035 18.435 -24.409 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.058 19.508 -25.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.024 19.082 -23.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.435 20.725 -23.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.381 19.684 -22.441 1.00 0.00 H new ATOM 1446 N ASP A 95 -9.475 18.718 -24.367 1.00 0.00 N ATOM 1447 CA ASP A 95 -10.820 19.013 -23.982 1.00 0.00 C ATOM 1448 C ASP A 95 -11.293 18.521 -22.658 1.00 0.00 C ATOM 1449 O ASP A 95 -11.525 19.243 -21.689 1.00 0.00 O ATOM 1450 CB ASP A 95 -11.735 18.620 -25.155 1.00 0.00 C ATOM 1451 CG ASP A 95 -11.594 17.169 -25.593 1.00 0.00 C ATOM 1452 OD1 ASP A 95 -10.492 16.752 -26.039 1.00 0.00 O ATOM 1453 OD2 ASP A 95 -12.550 16.378 -25.376 1.00 0.00 O ATOM 0 H ASP A 95 -9.440 18.288 -25.291 1.00 0.00 H new ATOM 0 HA ASP A 95 -10.859 20.085 -23.789 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -12.771 18.804 -24.871 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -11.518 19.268 -26.004 1.00 0.00 H new ATOM 1458 N GLY A 96 -11.268 17.202 -22.397 1.00 0.00 N ATOM 1459 CA GLY A 96 -11.514 16.574 -21.136 1.00 0.00 C ATOM 1460 C GLY A 96 -12.960 16.452 -20.799 1.00 0.00 C ATOM 1461 O GLY A 96 -13.496 17.069 -19.880 1.00 0.00 O ATOM 0 H GLY A 96 -11.059 16.521 -23.127 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.066 15.580 -21.142 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.014 17.144 -20.353 1.00 0.00 H new ATOM 1465 N ASN A 97 -13.738 15.599 -21.489 1.00 0.00 N ATOM 1466 CA ASN A 97 -15.125 15.309 -21.296 1.00 0.00 C ATOM 1467 C ASN A 97 -15.417 14.206 -20.337 1.00 0.00 C ATOM 1468 O ASN A 97 -16.552 14.105 -19.874 1.00 0.00 O ATOM 1469 CB ASN A 97 -15.846 15.160 -22.647 1.00 0.00 C ATOM 1470 CG ASN A 97 -15.511 13.884 -23.406 1.00 0.00 C ATOM 1471 OD1 ASN A 97 -14.505 13.207 -23.201 1.00 0.00 O ATOM 1472 ND2 ASN A 97 -16.416 13.460 -24.328 1.00 0.00 N ATOM 0 H ASN A 97 -13.352 15.057 -22.262 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.544 16.178 -20.789 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.922 15.193 -22.475 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.596 16.016 -23.274 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.256 12.592 -24.838 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.255 14.010 -24.509 1.00 0.00 H new ATOM 1479 N GLY A 98 -14.425 13.416 -19.890 1.00 0.00 N ATOM 1480 CA GLY A 98 -14.649 12.229 -19.123 1.00 0.00 C ATOM 1481 C GLY A 98 -14.211 11.001 -19.844 1.00 0.00 C ATOM 1482 O GLY A 98 -14.103 9.922 -19.264 1.00 0.00 O ATOM 0 H GLY A 98 -13.439 13.608 -20.067 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -14.113 12.303 -18.177 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.709 12.148 -18.883 1.00 0.00 H new ATOM 1486 N TYR A 99 -14.113 11.063 -21.184 1.00 0.00 N ATOM 1487 CA TYR A 99 -13.476 10.032 -21.943 1.00 0.00 C ATOM 1488 C TYR A 99 -12.228 10.461 -22.635 1.00 0.00 C ATOM 1489 O TYR A 99 -11.958 11.641 -22.850 1.00 0.00 O ATOM 1490 CB TYR A 99 -14.459 9.508 -23.002 1.00 0.00 C ATOM 1491 CG TYR A 99 -15.703 9.004 -22.354 1.00 0.00 C ATOM 1492 CD1 TYR A 99 -15.918 7.677 -22.067 1.00 0.00 C ATOM 1493 CD2 TYR A 99 -16.777 9.858 -22.436 1.00 0.00 C ATOM 1494 CE1 TYR A 99 -17.127 7.263 -21.559 1.00 0.00 C ATOM 1495 CE2 TYR A 99 -17.962 9.432 -21.884 1.00 0.00 C ATOM 1496 CZ TYR A 99 -18.212 8.106 -21.621 1.00 0.00 C ATOM 1497 OH TYR A 99 -19.563 7.712 -21.525 1.00 0.00 O ATOM 0 H TYR A 99 -14.478 11.833 -21.745 1.00 0.00 H new ATOM 0 HA TYR A 99 -13.191 9.262 -21.226 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -14.705 10.304 -23.705 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -13.992 8.709 -23.577 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -15.133 6.956 -22.241 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -16.694 10.823 -22.914 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -17.224 6.283 -21.115 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -18.721 10.163 -21.649 1.00 0.00 H new ATOM 0 HH TYR A 99 -20.140 8.501 -21.598 1.00 0.00 H new ATOM 1507 N ILE A 100 -11.353 9.529 -23.053 1.00 0.00 N ATOM 1508 CA ILE A 100 -10.431 9.807 -24.110 1.00 0.00 C ATOM 1509 C ILE A 100 -10.792 8.956 -25.279 1.00 0.00 C ATOM 1510 O ILE A 100 -11.057 7.778 -25.044 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.000 9.485 -23.797 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -8.640 9.827 -22.342 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -8.102 10.362 -24.686 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -7.493 9.001 -21.760 1.00 0.00 C ATOM 0 H ILE A 100 -11.284 8.589 -22.662 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.504 10.880 -24.289 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.856 8.418 -23.966 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.375 10.883 -22.285 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.524 9.686 -21.720 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -7.055 10.143 -24.474 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.311 10.152 -25.735 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.302 11.414 -24.480 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.308 9.310 -20.731 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.759 7.944 -21.780 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.593 9.159 -22.354 1.00 0.00 H new ATOM 1526 N SER A 101 -10.980 9.385 -26.540 1.00 0.00 N ATOM 1527 CA SER A 101 -11.129 8.477 -27.634 1.00 0.00 C ATOM 1528 C SER A 101 -9.811 7.791 -27.736 1.00 0.00 C ATOM 1529 O SER A 101 -8.733 8.367 -27.594 1.00 0.00 O ATOM 1530 CB SER A 101 -11.663 9.077 -28.946 1.00 0.00 C ATOM 1531 OG SER A 101 -10.802 10.171 -29.227 1.00 0.00 O ATOM 0 H SER A 101 -11.029 10.369 -26.803 1.00 0.00 H new ATOM 0 HA SER A 101 -11.934 7.769 -27.438 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.645 8.343 -29.752 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.697 9.406 -28.838 1.00 0.00 H new ATOM 0 HG SER A 101 -11.033 10.926 -28.647 1.00 0.00 H new ATOM 1537 N ALA A 102 -9.733 6.496 -28.093 1.00 0.00 N ATOM 1538 CA ALA A 102 -8.527 5.757 -28.300 1.00 0.00 C ATOM 1539 C ALA A 102 -7.499 6.302 -29.230 1.00 0.00 C ATOM 1540 O ALA A 102 -6.291 6.068 -29.237 1.00 0.00 O ATOM 1541 CB ALA A 102 -8.822 4.411 -28.983 1.00 0.00 C ATOM 0 H ALA A 102 -10.567 5.930 -28.247 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.145 5.749 -27.279 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.890 3.866 -29.131 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.491 3.823 -28.354 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.295 4.589 -29.949 1.00 0.00 H new ATOM 1547 N ALA A 103 -8.014 7.190 -30.098 1.00 0.00 N ATOM 1548 CA ALA A 103 -7.376 7.875 -31.179 1.00 0.00 C ATOM 1549 C ALA A 103 -6.508 8.955 -30.631 1.00 0.00 C ATOM 1550 O ALA A 103 -5.316 9.163 -30.853 1.00 0.00 O ATOM 1551 CB ALA A 103 -8.257 8.344 -32.350 1.00 0.00 C ATOM 0 H ALA A 103 -8.996 7.457 -30.031 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.775 7.116 -31.679 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.637 8.846 -33.093 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.744 7.482 -32.806 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.014 9.036 -31.981 1.00 0.00 H new ATOM 1557 N GLU A 104 -7.147 9.786 -29.789 1.00 0.00 N ATOM 1558 CA GLU A 104 -6.519 10.767 -28.958 1.00 0.00 C ATOM 1559 C GLU A 104 -5.665 10.180 -27.888 1.00 0.00 C ATOM 1560 O GLU A 104 -4.660 10.815 -27.571 1.00 0.00 O ATOM 1561 CB GLU A 104 -7.587 11.636 -28.272 1.00 0.00 C ATOM 1562 CG GLU A 104 -8.607 12.413 -29.105 1.00 0.00 C ATOM 1563 CD GLU A 104 -9.678 13.005 -28.199 1.00 0.00 C ATOM 1564 OE1 GLU A 104 -10.413 12.209 -27.557 1.00 0.00 O ATOM 1565 OE2 GLU A 104 -9.932 14.236 -28.104 1.00 0.00 O ATOM 0 H GLU A 104 -8.161 9.772 -29.682 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.882 11.352 -29.621 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.148 10.986 -27.601 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.061 12.360 -27.649 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.107 13.208 -29.658 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.066 11.753 -29.841 1.00 0.00 H new ATOM 1572 N LEU A 105 -6.058 9.019 -27.335 1.00 0.00 N ATOM 1573 CA LEU A 105 -5.200 8.344 -26.411 1.00 0.00 C ATOM 1574 C LEU A 105 -3.976 7.768 -27.035 1.00 0.00 C ATOM 1575 O LEU A 105 -2.900 7.892 -26.454 1.00 0.00 O ATOM 1576 CB LEU A 105 -5.972 7.416 -25.458 1.00 0.00 C ATOM 1577 CG LEU A 105 -5.089 6.389 -24.729 1.00 0.00 C ATOM 1578 CD1 LEU A 105 -5.877 5.955 -23.481 1.00 0.00 C ATOM 1579 CD2 LEU A 105 -4.888 5.141 -25.604 1.00 0.00 C ATOM 0 H LEU A 105 -6.948 8.556 -27.521 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.786 9.109 -25.754 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.491 8.024 -24.717 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.736 6.885 -26.025 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.117 6.822 -24.493 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.296 5.222 -22.921 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.069 6.824 -22.851 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.825 5.511 -23.785 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.261 4.423 -25.075 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.856 4.688 -25.820 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.404 5.426 -26.538 1.00 0.00 H new ATOM 1591 N ARG A 106 -4.030 7.162 -28.235 1.00 0.00 N ATOM 1592 CA ARG A 106 -2.856 6.619 -28.845 1.00 0.00 C ATOM 1593 C ARG A 106 -1.891 7.636 -29.350 1.00 0.00 C ATOM 1594 O ARG A 106 -0.690 7.373 -29.379 1.00 0.00 O ATOM 1595 CB ARG A 106 -3.185 5.562 -29.914 1.00 0.00 C ATOM 1596 CG ARG A 106 -3.575 6.150 -31.272 1.00 0.00 C ATOM 1597 CD ARG A 106 -4.432 5.331 -32.238 1.00 0.00 C ATOM 1598 NE ARG A 106 -3.503 4.251 -32.675 1.00 0.00 N ATOM 1599 CZ ARG A 106 -3.547 2.950 -32.264 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -4.719 2.349 -31.904 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -2.588 2.071 -32.676 1.00 0.00 N ATOM 0 H ARG A 106 -4.884 7.048 -28.781 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.336 6.115 -28.030 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.320 4.912 -30.046 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.001 4.937 -29.553 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.103 7.085 -31.082 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.652 6.405 -31.793 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.319 4.928 -31.749 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.778 5.931 -33.080 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.771 4.506 -33.338 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.593 2.874 -31.938 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.721 1.375 -31.601 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.838 2.386 -33.291 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.621 1.099 -32.369 1.00 0.00 H new ATOM 1615 N HIS A 107 -2.437 8.826 -29.659 1.00 0.00 N ATOM 1616 CA HIS A 107 -1.645 9.999 -29.862 1.00 0.00 C ATOM 1617 C HIS A 107 -0.858 10.433 -28.674 1.00 0.00 C ATOM 1618 O HIS A 107 0.357 10.544 -28.833 1.00 0.00 O ATOM 1619 CB HIS A 107 -2.542 11.160 -30.322 1.00 0.00 C ATOM 1620 CG HIS A 107 -1.846 12.448 -30.648 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -0.998 12.667 -31.714 1.00 0.00 N ATOM 1622 CD2 HIS A 107 -2.111 13.658 -30.086 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -0.701 13.994 -31.671 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -1.352 14.626 -30.713 1.00 0.00 N ATOM 0 H HIS A 107 -3.440 8.976 -29.769 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.917 9.729 -30.627 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -3.095 10.837 -31.204 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -3.276 11.356 -29.540 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.805 13.834 -29.277 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.009 14.476 -32.346 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -1.305 15.619 -30.484 1.00 0.00 H new ATOM 1632 N VAL A 108 -1.391 10.552 -27.445 1.00 0.00 N ATOM 1633 CA VAL A 108 -0.642 10.736 -26.240 1.00 0.00 C ATOM 1634 C VAL A 108 0.348 9.674 -25.907 1.00 0.00 C ATOM 1635 O VAL A 108 1.518 9.996 -25.705 1.00 0.00 O ATOM 1636 CB VAL A 108 -1.451 10.977 -25.000 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -0.618 11.527 -23.830 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -2.516 12.071 -25.189 1.00 0.00 C ATOM 0 H VAL A 108 -2.398 10.518 -27.283 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.110 11.646 -26.518 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.872 9.993 -24.795 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.263 11.679 -22.964 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.168 10.815 -23.577 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.168 12.477 -24.119 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.071 12.203 -24.260 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.030 13.009 -25.458 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.202 11.777 -25.983 1.00 0.00 H new ATOM 1648 N MET A 109 -0.096 8.407 -25.999 1.00 0.00 N ATOM 1649 CA MET A 109 0.783 7.294 -25.814 1.00 0.00 C ATOM 1650 C MET A 109 1.852 7.241 -26.851 1.00 0.00 C ATOM 1651 O MET A 109 2.797 6.465 -26.717 1.00 0.00 O ATOM 1652 CB MET A 109 -0.036 6.009 -25.608 1.00 0.00 C ATOM 1653 CG MET A 109 -0.765 6.018 -24.263 1.00 0.00 C ATOM 1654 SD MET A 109 -1.592 4.416 -24.026 1.00 0.00 S ATOM 1655 CE MET A 109 -1.645 4.639 -22.224 1.00 0.00 C ATOM 0 H MET A 109 -1.063 8.154 -26.201 1.00 0.00 H new ATOM 0 HA MET A 109 1.355 7.418 -24.894 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.761 5.905 -26.415 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.624 5.143 -25.659 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.058 6.200 -23.453 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.496 6.826 -24.236 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.112 3.821 -21.740 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.173 5.586 -21.961 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.682 4.645 -21.888 1.00 0.00 H new ATOM 1665 N THR A 110 1.791 7.990 -27.966 1.00 0.00 N ATOM 1666 CA THR A 110 2.888 8.129 -28.873 1.00 0.00 C ATOM 1667 C THR A 110 3.783 9.259 -28.496 1.00 0.00 C ATOM 1668 O THR A 110 5.012 9.229 -28.500 1.00 0.00 O ATOM 1669 CB THR A 110 2.438 8.375 -30.282 1.00 0.00 C ATOM 1670 OG1 THR A 110 1.544 7.316 -30.594 1.00 0.00 O ATOM 1671 CG2 THR A 110 3.535 8.317 -31.358 1.00 0.00 C ATOM 0 H THR A 110 0.960 8.512 -28.244 1.00 0.00 H new ATOM 0 HA THR A 110 3.424 7.182 -28.813 1.00 0.00 H new ATOM 0 HB THR A 110 2.028 9.385 -30.304 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.627 7.587 -30.377 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.095 8.510 -32.337 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.293 9.071 -31.146 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.996 7.329 -31.355 1.00 0.00 H new ATOM 1679 N ASN A 111 3.185 10.429 -28.209 1.00 0.00 N ATOM 1680 CA ASN A 111 3.914 11.617 -27.888 1.00 0.00 C ATOM 1681 C ASN A 111 4.725 11.519 -26.641 1.00 0.00 C ATOM 1682 O ASN A 111 5.879 11.940 -26.586 1.00 0.00 O ATOM 1683 CB ASN A 111 2.920 12.772 -27.678 1.00 0.00 C ATOM 1684 CG ASN A 111 2.068 13.168 -28.876 1.00 0.00 C ATOM 1685 OD1 ASN A 111 2.306 12.713 -29.993 1.00 0.00 O ATOM 1686 ND2 ASN A 111 0.955 13.918 -28.656 1.00 0.00 N ATOM 0 H ASN A 111 2.173 10.552 -28.200 1.00 0.00 H new ATOM 0 HA ASN A 111 4.596 11.779 -28.723 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.252 12.501 -26.860 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.481 13.649 -27.355 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.308 14.108 -29.422 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.767 14.291 -27.725 1.00 0.00 H new ATOM 1693 N LEU A 112 4.110 10.934 -25.597 1.00 0.00 N ATOM 1694 CA LEU A 112 4.368 11.067 -24.196 1.00 0.00 C ATOM 1695 C LEU A 112 5.680 10.638 -23.636 1.00 0.00 C ATOM 1696 O LEU A 112 6.466 11.549 -23.380 1.00 0.00 O ATOM 1697 CB LEU A 112 3.225 10.711 -23.231 1.00 0.00 C ATOM 1698 CG LEU A 112 3.373 11.477 -21.906 1.00 0.00 C ATOM 1699 CD1 LEU A 112 3.038 12.978 -21.929 1.00 0.00 C ATOM 1700 CD2 LEU A 112 2.388 10.859 -20.900 1.00 0.00 C ATOM 0 H LEU A 112 3.337 10.289 -25.760 1.00 0.00 H new ATOM 0 HA LEU A 112 4.444 12.153 -24.239 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.266 10.952 -23.691 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.226 9.638 -23.039 1.00 0.00 H new ATOM 0 HG LEU A 112 4.431 11.393 -21.659 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.183 13.398 -20.934 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.693 13.486 -22.637 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.000 13.115 -22.233 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.467 11.380 -19.946 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.371 10.953 -21.282 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.626 9.805 -20.758 1.00 0.00 H new ATOM 1712 N GLY A 113 5.987 9.330 -23.561 1.00 0.00 N ATOM 1713 CA GLY A 113 7.169 8.935 -22.859 1.00 0.00 C ATOM 1714 C GLY A 113 7.672 7.576 -23.204 1.00 0.00 C ATOM 1715 O GLY A 113 8.753 7.434 -23.773 1.00 0.00 O ATOM 0 H GLY A 113 5.441 8.571 -23.969 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.956 9.661 -23.062 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.969 8.973 -21.788 1.00 0.00 H new ATOM 1719 N GLU A 114 6.969 6.551 -22.690 1.00 0.00 N ATOM 1720 CA GLU A 114 7.306 5.167 -22.806 1.00 0.00 C ATOM 1721 C GLU A 114 7.055 4.689 -24.195 1.00 0.00 C ATOM 1722 O GLU A 114 5.985 4.885 -24.769 1.00 0.00 O ATOM 1723 CB GLU A 114 6.552 4.375 -21.725 1.00 0.00 C ATOM 1724 CG GLU A 114 6.758 4.851 -20.286 1.00 0.00 C ATOM 1725 CD GLU A 114 8.192 4.641 -19.821 1.00 0.00 C ATOM 1726 OE1 GLU A 114 8.888 3.643 -20.147 1.00 0.00 O ATOM 1727 OE2 GLU A 114 8.617 5.498 -19.001 1.00 0.00 O ATOM 0 H GLU A 114 6.111 6.700 -22.160 1.00 0.00 H new ATOM 0 HA GLU A 114 8.370 5.009 -22.630 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.486 4.412 -21.951 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.855 3.330 -21.789 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.503 5.908 -20.213 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.079 4.313 -19.624 1.00 0.00 H new ATOM 1734 N LYS A 115 8.041 3.994 -24.791 1.00 0.00 N ATOM 1735 CA LYS A 115 7.849 3.648 -26.165 1.00 0.00 C ATOM 1736 C LYS A 115 7.020 2.421 -26.333 1.00 0.00 C ATOM 1737 O LYS A 115 7.440 1.337 -25.929 1.00 0.00 O ATOM 1738 CB LYS A 115 9.243 3.553 -26.807 1.00 0.00 C ATOM 1739 CG LYS A 115 10.113 4.805 -26.935 1.00 0.00 C ATOM 1740 CD LYS A 115 9.342 5.970 -27.561 1.00 0.00 C ATOM 1741 CE LYS A 115 10.201 7.213 -27.323 1.00 0.00 C ATOM 1742 NZ LYS A 115 9.604 8.504 -27.731 1.00 0.00 N ATOM 0 H LYS A 115 8.913 3.689 -24.359 1.00 0.00 H new ATOM 0 HA LYS A 115 7.271 4.416 -26.679 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.813 2.819 -26.237 1.00 0.00 H new ATOM 0 HB3 LYS A 115 9.111 3.146 -27.809 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.477 5.097 -25.950 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.988 4.579 -27.544 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.180 5.805 -28.626 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.359 6.080 -27.103 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.441 7.266 -26.261 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.143 7.087 -27.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.270 9.275 -27.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.401 8.486 -28.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.721 8.660 -27.205 1.00 0.00 H new ATOM 1756 N LEU A 116 5.921 2.539 -27.100 1.00 0.00 N ATOM 1757 CA LEU A 116 4.928 1.550 -27.382 1.00 0.00 C ATOM 1758 C LEU A 116 4.831 1.358 -28.856 1.00 0.00 C ATOM 1759 O LEU A 116 5.167 2.343 -29.512 1.00 0.00 O ATOM 1760 CB LEU A 116 3.602 1.915 -26.693 1.00 0.00 C ATOM 1761 CG LEU A 116 3.553 2.007 -25.159 1.00 0.00 C ATOM 1762 CD1 LEU A 116 2.312 2.780 -24.682 1.00 0.00 C ATOM 1763 CD2 LEU A 116 3.768 0.629 -24.509 1.00 0.00 C ATOM 0 H LEU A 116 5.709 3.419 -27.570 1.00 0.00 H new ATOM 0 HA LEU A 116 5.209 0.583 -26.966 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.281 2.878 -27.090 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.859 1.179 -27.001 1.00 0.00 H new ATOM 0 HG LEU A 116 4.393 2.606 -24.808 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.309 2.826 -23.593 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.335 3.791 -25.088 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.412 2.271 -25.026 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.728 0.728 -23.424 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.987 -0.055 -24.840 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.742 0.237 -24.802 1.00 0.00 H new ATOM 1775 N THR A 117 4.290 0.248 -29.388 1.00 0.00 N ATOM 1776 CA THR A 117 4.037 0.138 -30.791 1.00 0.00 C ATOM 1777 C THR A 117 2.564 0.215 -30.997 1.00 0.00 C ATOM 1778 O THR A 117 1.853 0.254 -29.994 1.00 0.00 O ATOM 1779 CB THR A 117 4.437 -1.123 -31.499 1.00 0.00 C ATOM 1780 OG1 THR A 117 4.036 -2.319 -30.848 1.00 0.00 O ATOM 1781 CG2 THR A 117 5.969 -1.223 -31.598 1.00 0.00 C ATOM 0 H THR A 117 4.027 -0.575 -28.846 1.00 0.00 H new ATOM 0 HA THR A 117 4.650 0.937 -31.208 1.00 0.00 H new ATOM 0 HB THR A 117 3.939 -1.048 -32.465 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.332 -3.092 -31.372 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.241 -2.144 -32.114 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.354 -0.368 -32.154 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.399 -1.228 -30.596 1.00 0.00 H new ATOM 1789 N ASP A 118 2.018 0.328 -32.221 1.00 0.00 N ATOM 1790 CA ASP A 118 0.614 0.272 -32.487 1.00 0.00 C ATOM 1791 C ASP A 118 -0.139 -0.896 -31.951 1.00 0.00 C ATOM 1792 O ASP A 118 -1.209 -0.838 -31.347 1.00 0.00 O ATOM 1793 CB ASP A 118 0.427 0.474 -34.000 1.00 0.00 C ATOM 1794 CG ASP A 118 0.606 1.956 -34.297 1.00 0.00 C ATOM 1795 OD1 ASP A 118 1.757 2.465 -34.363 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -0.446 2.640 -34.418 1.00 0.00 O ATOM 0 H ASP A 118 2.579 0.464 -33.062 1.00 0.00 H new ATOM 0 HA ASP A 118 0.150 1.075 -31.914 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.153 -0.118 -34.557 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.563 0.139 -34.311 1.00 0.00 H new ATOM 1801 N GLU A 119 0.494 -2.050 -32.225 1.00 0.00 N ATOM 1802 CA GLU A 119 -0.092 -3.316 -31.911 1.00 0.00 C ATOM 1803 C GLU A 119 -0.261 -3.380 -30.432 1.00 0.00 C ATOM 1804 O GLU A 119 -1.290 -3.729 -29.855 1.00 0.00 O ATOM 1805 CB GLU A 119 0.668 -4.431 -32.650 1.00 0.00 C ATOM 1806 CG GLU A 119 0.632 -4.405 -34.179 1.00 0.00 C ATOM 1807 CD GLU A 119 1.632 -3.430 -34.783 1.00 0.00 C ATOM 1808 OE1 GLU A 119 2.426 -2.831 -34.010 1.00 0.00 O ATOM 1809 OE2 GLU A 119 1.501 -3.241 -36.022 1.00 0.00 O ATOM 0 H GLU A 119 1.413 -2.107 -32.665 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.104 -3.467 -32.286 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.711 -4.395 -32.336 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.268 -5.389 -32.319 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.835 -5.406 -34.558 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.372 -4.137 -34.508 1.00 0.00 H new ATOM 1816 N GLU A 120 0.802 -3.001 -29.702 1.00 0.00 N ATOM 1817 CA GLU A 120 0.902 -2.738 -28.299 1.00 0.00 C ATOM 1818 C GLU A 120 -0.074 -1.810 -27.662 1.00 0.00 C ATOM 1819 O GLU A 120 -0.648 -2.163 -26.633 1.00 0.00 O ATOM 1820 CB GLU A 120 2.340 -2.387 -27.883 1.00 0.00 C ATOM 1821 CG GLU A 120 2.605 -2.527 -26.383 1.00 0.00 C ATOM 1822 CD GLU A 120 4.101 -2.340 -26.171 1.00 0.00 C ATOM 1823 OE1 GLU A 120 4.784 -1.970 -27.163 1.00 0.00 O ATOM 1824 OE2 GLU A 120 4.537 -2.673 -25.037 1.00 0.00 O ATOM 0 H GLU A 120 1.704 -2.862 -30.157 1.00 0.00 H new ATOM 0 HA GLU A 120 0.598 -3.702 -27.891 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.032 -3.031 -28.426 1.00 0.00 H new ATOM 0 HB3 GLU A 120 2.555 -1.362 -28.186 1.00 0.00 H new ATOM 0 HG2 GLU A 120 2.041 -1.782 -25.821 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.285 -3.506 -26.025 1.00 0.00 H new ATOM 1831 N VAL A 121 -0.421 -0.673 -28.290 1.00 0.00 N ATOM 1832 CA VAL A 121 -1.465 0.204 -27.859 1.00 0.00 C ATOM 1833 C VAL A 121 -2.799 -0.425 -28.070 1.00 0.00 C ATOM 1834 O VAL A 121 -3.663 -0.416 -27.194 1.00 0.00 O ATOM 1835 CB VAL A 121 -1.346 1.573 -28.461 1.00 0.00 C ATOM 1836 CG1 VAL A 121 -2.579 2.481 -28.315 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -0.114 2.243 -27.830 1.00 0.00 C ATOM 0 H VAL A 121 0.047 -0.350 -29.137 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.356 0.360 -26.786 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.251 1.438 -29.538 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.380 3.444 -28.786 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.436 2.011 -28.797 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.796 2.633 -27.258 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.007 3.244 -28.243 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.249 2.310 -26.750 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.774 1.650 -28.048 1.00 0.00 H new ATOM 1847 N ASP A 122 -3.154 -0.966 -29.249 1.00 0.00 N ATOM 1848 CA ASP A 122 -4.376 -1.597 -29.641 1.00 0.00 C ATOM 1849 C ASP A 122 -4.705 -2.708 -28.705 1.00 0.00 C ATOM 1850 O ASP A 122 -5.846 -2.834 -28.263 1.00 0.00 O ATOM 1851 CB ASP A 122 -4.369 -2.025 -31.118 1.00 0.00 C ATOM 1852 CG ASP A 122 -4.534 -0.774 -31.969 1.00 0.00 C ATOM 1853 OD1 ASP A 122 -5.671 -0.233 -31.917 1.00 0.00 O ATOM 1854 OD2 ASP A 122 -3.699 -0.375 -32.823 1.00 0.00 O ATOM 0 H ASP A 122 -2.494 -0.957 -30.026 1.00 0.00 H new ATOM 0 HA ASP A 122 -5.179 -0.863 -29.568 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.436 -2.533 -31.363 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -5.177 -2.730 -31.315 1.00 0.00 H new ATOM 1859 N GLU A 123 -3.737 -3.573 -28.353 1.00 0.00 N ATOM 1860 CA GLU A 123 -3.958 -4.679 -27.475 1.00 0.00 C ATOM 1861 C GLU A 123 -3.996 -4.286 -26.039 1.00 0.00 C ATOM 1862 O GLU A 123 -4.530 -4.934 -25.140 1.00 0.00 O ATOM 1863 CB GLU A 123 -2.872 -5.751 -27.666 1.00 0.00 C ATOM 1864 CG GLU A 123 -2.981 -6.635 -28.910 1.00 0.00 C ATOM 1865 CD GLU A 123 -2.127 -7.892 -28.994 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -1.081 -8.032 -28.305 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -2.421 -8.640 -29.964 1.00 0.00 O ATOM 0 H GLU A 123 -2.776 -3.501 -28.688 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.937 -5.078 -27.740 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -1.903 -5.252 -27.689 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.877 -6.398 -26.789 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -4.024 -6.937 -29.010 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.744 -6.017 -29.776 1.00 0.00 H new ATOM 1874 N MET A 124 -3.363 -3.119 -25.821 1.00 0.00 N ATOM 1875 CA MET A 124 -3.538 -2.429 -24.580 1.00 0.00 C ATOM 1876 C MET A 124 -4.918 -1.906 -24.372 1.00 0.00 C ATOM 1877 O MET A 124 -5.614 -2.119 -23.380 1.00 0.00 O ATOM 1878 CB MET A 124 -2.631 -1.228 -24.268 1.00 0.00 C ATOM 1879 CG MET A 124 -2.395 -0.946 -22.783 1.00 0.00 C ATOM 1880 SD MET A 124 -1.217 0.405 -22.477 1.00 0.00 S ATOM 1881 CE MET A 124 0.370 -0.248 -23.071 1.00 0.00 C ATOM 0 H MET A 124 -2.742 -2.661 -26.488 1.00 0.00 H new ATOM 0 HA MET A 124 -3.268 -3.251 -23.917 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.665 -1.391 -24.746 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.066 -0.339 -24.724 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.347 -0.700 -22.313 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.027 -1.853 -22.303 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.173 0.431 -22.784 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.548 -1.228 -22.629 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.342 -0.339 -24.157 1.00 0.00 H new ATOM 1891 N ILE A 125 -5.510 -1.170 -25.329 1.00 0.00 N ATOM 1892 CA ILE A 125 -6.871 -0.745 -25.440 1.00 0.00 C ATOM 1893 C ILE A 125 -7.883 -1.837 -25.385 1.00 0.00 C ATOM 1894 O ILE A 125 -8.825 -1.784 -24.595 1.00 0.00 O ATOM 1895 CB ILE A 125 -6.991 0.022 -26.723 1.00 0.00 C ATOM 1896 CG1 ILE A 125 -6.357 1.423 -26.691 1.00 0.00 C ATOM 1897 CG2 ILE A 125 -8.469 0.027 -27.146 1.00 0.00 C ATOM 1898 CD1 ILE A 125 -6.154 1.937 -28.115 1.00 0.00 C ATOM 0 H ILE A 125 -4.963 -0.833 -26.121 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.098 -0.134 -24.567 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.398 -0.487 -27.483 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.997 2.108 -26.136 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -5.401 1.387 -26.169 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.579 0.581 -28.079 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -8.810 -0.998 -27.290 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -9.068 0.502 -26.369 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.705 2.930 -28.083 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.496 1.258 -28.657 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -7.117 1.991 -28.623 1.00 0.00 H new ATOM 1910 N ARG A 126 -7.705 -2.904 -26.184 1.00 0.00 N ATOM 1911 CA ARG A 126 -8.492 -4.097 -26.130 1.00 0.00 C ATOM 1912 C ARG A 126 -8.576 -4.671 -24.758 1.00 0.00 C ATOM 1913 O ARG A 126 -9.644 -5.045 -24.276 1.00 0.00 O ATOM 1914 CB ARG A 126 -8.017 -5.137 -27.160 1.00 0.00 C ATOM 1915 CG ARG A 126 -8.819 -6.435 -27.046 1.00 0.00 C ATOM 1916 CD ARG A 126 -10.259 -6.313 -27.548 1.00 0.00 C ATOM 1917 NE ARG A 126 -10.245 -6.343 -29.037 1.00 0.00 N ATOM 1918 CZ ARG A 126 -11.364 -6.627 -29.766 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -12.548 -7.072 -29.253 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -11.241 -6.555 -31.123 1.00 0.00 N ATOM 0 H ARG A 126 -6.979 -2.937 -26.900 1.00 0.00 H new ATOM 0 HA ARG A 126 -9.508 -3.810 -26.401 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -8.120 -4.730 -28.166 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -6.958 -5.346 -27.008 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -8.311 -7.216 -27.611 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -8.832 -6.753 -26.004 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -10.866 -7.130 -27.158 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -10.707 -5.385 -27.192 1.00 0.00 H new ATOM 0 HE ARG A 126 -9.373 -6.145 -29.527 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -12.646 -7.217 -28.248 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -13.335 -7.259 -29.875 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -10.346 -6.300 -31.541 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -12.044 -6.757 -31.719 1.00 0.00 H new ATOM 1934 N GLU A 127 -7.467 -4.872 -24.024 1.00 0.00 N ATOM 1935 CA GLU A 127 -7.505 -5.387 -22.690 1.00 0.00 C ATOM 1936 C GLU A 127 -8.102 -4.443 -21.704 1.00 0.00 C ATOM 1937 O GLU A 127 -8.599 -4.891 -20.673 1.00 0.00 O ATOM 1938 CB GLU A 127 -6.052 -5.800 -22.402 1.00 0.00 C ATOM 1939 CG GLU A 127 -5.827 -6.547 -21.087 1.00 0.00 C ATOM 1940 CD GLU A 127 -4.547 -7.362 -20.960 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -4.502 -8.368 -21.718 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -3.630 -6.989 -20.181 1.00 0.00 O ATOM 0 H GLU A 127 -6.526 -4.673 -24.363 1.00 0.00 H new ATOM 0 HA GLU A 127 -8.176 -6.240 -22.592 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.703 -6.429 -23.221 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -5.432 -4.904 -22.401 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -5.845 -5.818 -20.277 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -6.672 -7.218 -20.931 1.00 0.00 H new ATOM 1949 N ALA A 128 -7.950 -3.113 -21.841 1.00 0.00 N ATOM 1950 CA ALA A 128 -8.486 -2.067 -21.028 1.00 0.00 C ATOM 1951 C ALA A 128 -9.950 -1.890 -21.241 1.00 0.00 C ATOM 1952 O ALA A 128 -10.637 -1.685 -20.242 1.00 0.00 O ATOM 1953 CB ALA A 128 -7.674 -0.792 -21.313 1.00 0.00 C ATOM 0 H ALA A 128 -7.391 -2.734 -22.605 1.00 0.00 H new ATOM 0 HA ALA A 128 -8.392 -2.321 -19.972 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -8.059 0.028 -20.706 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -6.626 -0.965 -21.066 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -7.760 -0.534 -22.368 1.00 0.00 H new ATOM 1959 N ASP A 129 -10.456 -1.788 -22.483 1.00 0.00 N ATOM 1960 CA ASP A 129 -11.793 -1.340 -22.720 1.00 0.00 C ATOM 1961 C ASP A 129 -12.824 -2.365 -22.395 1.00 0.00 C ATOM 1962 O ASP A 129 -12.605 -3.518 -22.764 1.00 0.00 O ATOM 1963 CB ASP A 129 -12.095 -0.900 -24.162 1.00 0.00 C ATOM 1964 CG ASP A 129 -13.101 0.231 -24.320 1.00 0.00 C ATOM 1965 OD1 ASP A 129 -14.299 -0.016 -24.016 1.00 0.00 O ATOM 1966 OD2 ASP A 129 -12.717 1.425 -24.436 1.00 0.00 O ATOM 0 H ASP A 129 -9.934 -2.018 -23.329 1.00 0.00 H new ATOM 0 HA ASP A 129 -11.849 -0.479 -22.053 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.159 -0.595 -24.631 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -12.461 -1.765 -24.715 1.00 0.00 H new ATOM 1971 N ILE A 130 -13.785 -1.989 -21.533 1.00 0.00 N ATOM 1972 CA ILE A 130 -14.818 -2.871 -21.087 1.00 0.00 C ATOM 1973 C ILE A 130 -15.853 -3.020 -22.149 1.00 0.00 C ATOM 1974 O ILE A 130 -16.297 -4.117 -22.485 1.00 0.00 O ATOM 1975 CB ILE A 130 -15.473 -2.606 -19.764 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -14.475 -2.191 -18.670 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -16.377 -3.688 -19.151 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -13.806 -3.390 -17.999 1.00 0.00 C ATOM 0 H ILE A 130 -13.846 -1.051 -21.137 1.00 0.00 H new ATOM 0 HA ILE A 130 -14.273 -3.796 -20.897 1.00 0.00 H new ATOM 0 HB ILE A 130 -16.134 -1.794 -20.067 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -13.709 -1.550 -19.106 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -14.994 -1.600 -17.915 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -16.769 -3.336 -18.197 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -17.205 -3.898 -19.829 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -15.799 -4.598 -18.992 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -13.112 -3.039 -17.235 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -14.566 -4.019 -17.536 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -13.262 -3.968 -18.746 1.00 0.00 H new ATOM 1990 N ASP A 131 -16.308 -1.893 -22.724 1.00 0.00 N ATOM 1991 CA ASP A 131 -17.291 -1.766 -23.756 1.00 0.00 C ATOM 1992 C ASP A 131 -16.868 -2.302 -25.080 1.00 0.00 C ATOM 1993 O ASP A 131 -17.471 -3.232 -25.614 1.00 0.00 O ATOM 1994 CB ASP A 131 -17.891 -0.353 -23.845 1.00 0.00 C ATOM 1995 CG ASP A 131 -17.748 0.345 -22.500 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -16.628 0.799 -22.143 1.00 0.00 O ATOM 1997 OD2 ASP A 131 -18.776 0.375 -21.773 1.00 0.00 O ATOM 0 H ASP A 131 -15.951 -0.982 -22.436 1.00 0.00 H new ATOM 0 HA ASP A 131 -18.102 -2.423 -23.441 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -17.383 0.221 -24.620 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -18.942 -0.410 -24.127 1.00 0.00 H new ATOM 2002 N GLY A 132 -15.843 -1.696 -25.705 1.00 0.00 N ATOM 2003 CA GLY A 132 -15.650 -1.860 -27.112 1.00 0.00 C ATOM 2004 C GLY A 132 -16.213 -0.631 -27.738 1.00 0.00 C ATOM 2005 O GLY A 132 -16.560 -0.643 -28.918 1.00 0.00 O ATOM 0 H GLY A 132 -15.156 -1.100 -25.243 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -14.593 -1.974 -27.352 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -16.157 -2.753 -27.476 1.00 0.00 H new ATOM 2009 N ASP A 133 -16.342 0.505 -27.029 1.00 0.00 N ATOM 2010 CA ASP A 133 -16.823 1.725 -27.601 1.00 0.00 C ATOM 2011 C ASP A 133 -15.764 2.610 -28.163 1.00 0.00 C ATOM 2012 O ASP A 133 -16.022 3.679 -28.713 1.00 0.00 O ATOM 2013 CB ASP A 133 -17.699 2.456 -26.570 1.00 0.00 C ATOM 2014 CG ASP A 133 -17.011 2.926 -25.297 1.00 0.00 C ATOM 2015 OD1 ASP A 133 -15.905 2.455 -24.920 1.00 0.00 O ATOM 2016 OD2 ASP A 133 -17.612 3.823 -24.648 1.00 0.00 O ATOM 0 H ASP A 133 -16.108 0.578 -26.039 1.00 0.00 H new ATOM 0 HA ASP A 133 -17.422 1.453 -28.470 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.144 3.324 -27.056 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.518 1.794 -26.289 1.00 0.00 H new ATOM 2021 N GLY A 134 -14.495 2.205 -27.975 1.00 0.00 N ATOM 2022 CA GLY A 134 -13.372 2.847 -28.586 1.00 0.00 C ATOM 2023 C GLY A 134 -12.808 3.946 -27.753 1.00 0.00 C ATOM 2024 O GLY A 134 -11.622 4.272 -27.763 1.00 0.00 O ATOM 0 H GLY A 134 -14.243 1.412 -27.384 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -12.595 2.106 -28.775 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -13.672 3.249 -29.554 1.00 0.00 H new ATOM 2028 N GLN A 135 -13.662 4.490 -26.868 1.00 0.00 N ATOM 2029 CA GLN A 135 -13.349 5.506 -25.912 1.00 0.00 C ATOM 2030 C GLN A 135 -13.002 4.963 -24.568 1.00 0.00 C ATOM 2031 O GLN A 135 -13.713 4.153 -23.974 1.00 0.00 O ATOM 2032 CB GLN A 135 -14.348 6.676 -25.908 1.00 0.00 C ATOM 2033 CG GLN A 135 -15.781 6.370 -25.469 1.00 0.00 C ATOM 2034 CD GLN A 135 -16.606 7.643 -25.580 1.00 0.00 C ATOM 2035 OE1 GLN A 135 -16.290 8.710 -26.104 1.00 0.00 O ATOM 2036 NE2 GLN A 135 -17.856 7.487 -25.066 1.00 0.00 N ATOM 0 H GLN A 135 -14.638 4.199 -26.818 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.422 5.965 -26.256 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.954 7.455 -25.255 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -14.385 7.092 -26.915 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -16.209 5.586 -26.094 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -15.792 6.001 -24.443 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -18.122 6.604 -24.631 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -18.527 8.253 -25.116 1.00 0.00 H new ATOM 2045 N VAL A 136 -11.878 5.440 -24.005 1.00 0.00 N ATOM 2046 CA VAL A 136 -11.431 4.978 -22.727 1.00 0.00 C ATOM 2047 C VAL A 136 -11.825 5.895 -21.621 1.00 0.00 C ATOM 2048 O VAL A 136 -11.632 7.089 -21.846 1.00 0.00 O ATOM 2049 CB VAL A 136 -9.970 4.649 -22.795 1.00 0.00 C ATOM 2050 CG1 VAL A 136 -9.209 4.829 -21.471 1.00 0.00 C ATOM 2051 CG2 VAL A 136 -9.888 3.148 -23.123 1.00 0.00 C ATOM 0 H VAL A 136 -11.279 6.145 -24.434 1.00 0.00 H new ATOM 0 HA VAL A 136 -11.944 4.050 -22.474 1.00 0.00 H new ATOM 0 HB VAL A 136 -9.521 5.322 -23.525 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -8.161 4.568 -21.616 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -9.283 5.867 -21.147 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -9.643 4.180 -20.711 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -8.843 2.846 -23.186 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -10.384 2.577 -22.338 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -10.379 2.957 -24.077 1.00 0.00 H new ATOM 2061 N ASN A 137 -12.638 5.449 -20.647 1.00 0.00 N ATOM 2062 CA ASN A 137 -12.942 6.267 -19.514 1.00 0.00 C ATOM 2063 C ASN A 137 -11.949 6.099 -18.416 1.00 0.00 C ATOM 2064 O ASN A 137 -10.980 5.362 -18.589 1.00 0.00 O ATOM 2065 CB ASN A 137 -14.427 6.148 -19.130 1.00 0.00 C ATOM 2066 CG ASN A 137 -14.796 4.763 -18.618 1.00 0.00 C ATOM 2067 OD1 ASN A 137 -14.325 4.179 -17.644 1.00 0.00 O ATOM 2068 ND2 ASN A 137 -15.935 4.289 -19.190 1.00 0.00 N ATOM 0 H ASN A 137 -13.082 4.530 -20.643 1.00 0.00 H new ATOM 0 HA ASN A 137 -12.823 7.317 -19.782 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -14.659 6.887 -18.363 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -15.042 6.385 -19.998 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -16.389 3.458 -18.811 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -16.336 4.765 -19.998 1.00 0.00 H new ATOM 2075 N TYR A 138 -12.102 6.780 -17.266 1.00 0.00 N ATOM 2076 CA TYR A 138 -11.086 6.783 -16.260 1.00 0.00 C ATOM 2077 C TYR A 138 -10.817 5.453 -15.643 1.00 0.00 C ATOM 2078 O TYR A 138 -9.663 5.054 -15.490 1.00 0.00 O ATOM 2079 CB TYR A 138 -11.406 7.907 -15.260 1.00 0.00 C ATOM 2080 CG TYR A 138 -10.352 8.098 -14.224 1.00 0.00 C ATOM 2081 CD1 TYR A 138 -9.034 8.038 -14.611 1.00 0.00 C ATOM 2082 CD2 TYR A 138 -10.658 8.192 -12.887 1.00 0.00 C ATOM 2083 CE1 TYR A 138 -8.049 8.077 -13.652 1.00 0.00 C ATOM 2084 CE2 TYR A 138 -9.668 8.040 -11.945 1.00 0.00 C ATOM 2085 CZ TYR A 138 -8.343 8.072 -12.308 1.00 0.00 C ATOM 2086 OH TYR A 138 -7.315 8.041 -11.343 1.00 0.00 O ATOM 0 H TYR A 138 -12.930 7.329 -17.033 1.00 0.00 H new ATOM 0 HA TYR A 138 -10.125 6.996 -16.729 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -11.541 8.841 -15.806 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -12.353 7.686 -14.767 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.775 7.961 -15.657 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.674 8.385 -12.577 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -7.015 8.113 -13.963 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -9.935 7.894 -10.909 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.709 8.043 -10.446 1.00 0.00 H new ATOM 2096 N GLU A 139 -11.821 4.729 -15.118 1.00 0.00 N ATOM 2097 CA GLU A 139 -11.703 3.517 -14.368 1.00 0.00 C ATOM 2098 C GLU A 139 -11.098 2.426 -15.182 1.00 0.00 C ATOM 2099 O GLU A 139 -10.453 1.508 -14.677 1.00 0.00 O ATOM 2100 CB GLU A 139 -13.055 3.055 -13.798 1.00 0.00 C ATOM 2101 CG GLU A 139 -12.926 2.145 -12.575 1.00 0.00 C ATOM 2102 CD GLU A 139 -14.264 1.686 -12.012 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -15.029 0.975 -12.716 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -14.563 2.098 -10.860 1.00 0.00 O ATOM 0 H GLU A 139 -12.794 5.016 -15.228 1.00 0.00 H new ATOM 0 HA GLU A 139 -11.040 3.738 -13.532 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -13.644 3.931 -13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -13.607 2.528 -14.576 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -12.335 1.269 -12.845 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -12.376 2.673 -11.796 1.00 0.00 H new ATOM 2111 N GLU A 140 -11.303 2.559 -16.504 1.00 0.00 N ATOM 2112 CA GLU A 140 -10.596 1.782 -17.474 1.00 0.00 C ATOM 2113 C GLU A 140 -9.149 2.116 -17.605 1.00 0.00 C ATOM 2114 O GLU A 140 -8.217 1.320 -17.712 1.00 0.00 O ATOM 2115 CB GLU A 140 -11.243 1.880 -18.866 1.00 0.00 C ATOM 2116 CG GLU A 140 -12.670 1.335 -18.941 1.00 0.00 C ATOM 2117 CD GLU A 140 -13.263 1.563 -20.324 1.00 0.00 C ATOM 2118 OE1 GLU A 140 -13.262 2.684 -20.900 1.00 0.00 O ATOM 2119 OE2 GLU A 140 -13.885 0.656 -20.938 1.00 0.00 O ATOM 0 H GLU A 140 -11.971 3.217 -16.907 1.00 0.00 H new ATOM 0 HA GLU A 140 -10.664 0.765 -17.089 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -11.250 2.925 -19.177 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -10.623 1.339 -19.580 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -12.670 0.269 -18.712 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -13.291 1.823 -18.189 1.00 0.00 H new ATOM 2126 N PHE A 141 -8.915 3.440 -17.574 1.00 0.00 N ATOM 2127 CA PHE A 141 -7.601 3.999 -17.661 1.00 0.00 C ATOM 2128 C PHE A 141 -6.776 3.775 -16.441 1.00 0.00 C ATOM 2129 O PHE A 141 -5.585 3.523 -16.611 1.00 0.00 O ATOM 2130 CB PHE A 141 -7.623 5.488 -18.044 1.00 0.00 C ATOM 2131 CG PHE A 141 -6.251 6.041 -18.222 1.00 0.00 C ATOM 2132 CD1 PHE A 141 -5.670 5.919 -19.462 1.00 0.00 C ATOM 2133 CD2 PHE A 141 -5.650 6.824 -17.265 1.00 0.00 C ATOM 2134 CE1 PHE A 141 -4.514 6.575 -19.817 1.00 0.00 C ATOM 2135 CE2 PHE A 141 -4.469 7.462 -17.564 1.00 0.00 C ATOM 2136 CZ PHE A 141 -3.936 7.332 -18.825 1.00 0.00 C ATOM 0 H PHE A 141 -9.654 4.137 -17.487 1.00 0.00 H new ATOM 0 HA PHE A 141 -7.115 3.452 -18.469 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.188 5.616 -18.967 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.144 6.053 -17.271 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -6.143 5.278 -20.191 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.100 6.937 -16.290 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -4.089 6.501 -20.807 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.966 8.058 -16.817 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.016 7.851 -19.048 1.00 0.00 H new ATOM 2146 N VAL A 142 -7.355 3.564 -15.245 1.00 0.00 N ATOM 2147 CA VAL A 142 -6.717 3.169 -14.028 1.00 0.00 C ATOM 2148 C VAL A 142 -6.139 1.804 -14.180 1.00 0.00 C ATOM 2149 O VAL A 142 -4.940 1.576 -14.022 1.00 0.00 O ATOM 2150 CB VAL A 142 -7.688 3.061 -12.890 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -7.066 2.415 -11.641 1.00 0.00 C ATOM 2152 CG2 VAL A 142 -7.965 4.534 -12.543 1.00 0.00 C ATOM 0 H VAL A 142 -8.361 3.681 -15.121 1.00 0.00 H new ATOM 0 HA VAL A 142 -5.964 3.929 -13.820 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.552 2.457 -13.167 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -7.813 2.362 -10.849 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -6.723 1.409 -11.884 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -6.221 3.015 -11.304 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -8.671 4.586 -11.714 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -7.033 5.022 -12.257 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.388 5.039 -13.411 1.00 0.00 H new ATOM 2162 N GLN A 143 -6.953 0.844 -14.654 1.00 0.00 N ATOM 2163 CA GLN A 143 -6.609 -0.513 -14.943 1.00 0.00 C ATOM 2164 C GLN A 143 -5.555 -0.588 -15.994 1.00 0.00 C ATOM 2165 O GLN A 143 -4.688 -1.458 -16.057 1.00 0.00 O ATOM 2166 CB GLN A 143 -7.893 -1.230 -15.393 1.00 0.00 C ATOM 2167 CG GLN A 143 -9.027 -1.300 -14.368 1.00 0.00 C ATOM 2168 CD GLN A 143 -8.699 -2.332 -13.298 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -8.218 -1.962 -12.229 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -8.896 -3.645 -13.593 1.00 0.00 N ATOM 0 H GLN A 143 -7.935 1.036 -14.851 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.198 -0.995 -14.056 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -8.269 -0.730 -16.285 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -7.632 -2.247 -15.684 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -9.174 -0.322 -13.909 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -9.961 -1.563 -14.864 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -9.298 -3.911 -14.492 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.642 -4.364 -12.915 1.00 0.00 H new ATOM 2179 N MET A 144 -5.664 0.361 -16.941 1.00 0.00 N ATOM 2180 CA MET A 144 -4.830 0.400 -18.101 1.00 0.00 C ATOM 2181 C MET A 144 -3.448 0.820 -17.735 1.00 0.00 C ATOM 2182 O MET A 144 -2.472 0.399 -18.354 1.00 0.00 O ATOM 2183 CB MET A 144 -5.445 1.347 -19.146 1.00 0.00 C ATOM 2184 CG MET A 144 -4.674 1.457 -20.463 1.00 0.00 C ATOM 2185 SD MET A 144 -5.694 2.256 -21.739 1.00 0.00 S ATOM 2186 CE MET A 144 -4.881 1.665 -23.251 1.00 0.00 C ATOM 0 H MET A 144 -6.347 1.118 -16.899 1.00 0.00 H new ATOM 0 HA MET A 144 -4.766 -0.598 -18.535 1.00 0.00 H new ATOM 0 HB2 MET A 144 -6.459 1.011 -19.365 1.00 0.00 H new ATOM 0 HB3 MET A 144 -5.526 2.342 -18.708 1.00 0.00 H new ATOM 0 HG2 MET A 144 -3.760 2.031 -20.309 1.00 0.00 H new ATOM 0 HG3 MET A 144 -4.374 0.464 -20.799 1.00 0.00 H new ATOM 0 HE1 MET A 144 -5.097 2.349 -24.072 1.00 0.00 H new ATOM 0 HE2 MET A 144 -3.804 1.620 -23.091 1.00 0.00 H new ATOM 0 HE3 MET A 144 -5.253 0.671 -23.499 1.00 0.00 H new ATOM 2196 N MET A 145 -3.278 1.846 -16.882 1.00 0.00 N ATOM 2197 CA MET A 145 -2.065 2.447 -16.420 1.00 0.00 C ATOM 2198 C MET A 145 -1.411 1.611 -15.375 1.00 0.00 C ATOM 2199 O MET A 145 -0.190 1.517 -15.258 1.00 0.00 O ATOM 2200 CB MET A 145 -2.283 3.878 -15.901 1.00 0.00 C ATOM 2201 CG MET A 145 -2.564 4.851 -17.047 1.00 0.00 C ATOM 2202 SD MET A 145 -1.337 5.161 -18.353 1.00 0.00 S ATOM 2203 CE MET A 145 -0.521 6.448 -17.365 1.00 0.00 C ATOM 0 H MET A 145 -4.090 2.306 -16.469 1.00 0.00 H new ATOM 0 HA MET A 145 -1.402 2.508 -17.283 1.00 0.00 H new ATOM 0 HB2 MET A 145 -3.117 3.889 -15.200 1.00 0.00 H new ATOM 0 HB3 MET A 145 -1.400 4.206 -15.352 1.00 0.00 H new ATOM 0 HG2 MET A 145 -3.472 4.505 -17.541 1.00 0.00 H new ATOM 0 HG3 MET A 145 -2.795 5.815 -16.594 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.372 6.794 -17.885 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.205 7.285 -17.221 1.00 0.00 H new ATOM 0 HE3 MET A 145 -0.240 6.038 -16.395 1.00 0.00 H new