USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 GLN : amide:sc= 0 X(o=-0.13,f=-0.15) USER MOD Set 1.2: A 65 THR OG1 : rot 150:sc= -0.125 USER MOD Set 2.1: A 17 SER OG : rot -44:sc= -0.263! USER MOD Set 2.2: A 29 HIS : no HE2:sc= -7.23! C(o=-7.5!,f=-8.2!) USER MOD Single : A 13 ASN : amide:sc=-0.00188 K(o=-0.0019,f=-0.52) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 36 THR OG1 : rot 105:sc= 1.1 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 78:sc= 1.2 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 38:sc= 1.06 USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= -0.216 (180deg=-1.21) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.41! C(o=-2.4!,f=-2.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0441 X(o=-0.044,f=-0.064) USER MOD Single : A 73 ASN : amide:sc= -0.492 X(o=-0.49,f=0) USER MOD Single : A 74 THR OG1 : rot 102:sc= 0.0901 USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0493 USER MOD Single : A 90 ASN : amide:sc= -0.0043 K(o=-0.0043,f=-0.58) USER MOD Single : A 92 SER OG : rot 170:sc= 0.623 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.015 USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00572 USER MOD Single : A 99 THR OG1 : rot -166:sc= 1.43 USER MOD Single : A 101 LYS NZ :NH3+ 153:sc= -0.0967 (180deg=-0.842) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 6.026 14.462 -2.946 1.00 0.00 N ATOM 67 CA PRO A 8 5.267 14.258 -1.708 1.00 0.00 C ATOM 68 C PRO A 8 3.804 13.920 -1.974 1.00 0.00 C ATOM 69 O PRO A 8 3.068 13.545 -1.062 1.00 0.00 O ATOM 70 CB PRO A 8 5.383 15.608 -0.995 1.00 0.00 C ATOM 71 CG PRO A 8 5.614 16.594 -2.087 1.00 0.00 C ATOM 72 CD PRO A 8 6.410 15.870 -3.138 1.00 0.00 C ATOM 0 HA PRO A 8 5.651 13.419 -1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.476 15.840 -0.437 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.206 15.609 -0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.669 16.955 -2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.156 17.465 -1.718 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.165 16.220 -4.141 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.482 16.016 -3.003 1.00 0.00 H new ATOM 80 N ASP A 9 3.390 14.054 -3.229 1.00 0.00 N ATOM 81 CA ASP A 9 2.015 13.761 -3.616 1.00 0.00 C ATOM 82 C ASP A 9 1.523 12.481 -2.947 1.00 0.00 C ATOM 83 O ASP A 9 0.417 12.435 -2.410 1.00 0.00 O ATOM 84 CB ASP A 9 1.907 13.630 -5.136 1.00 0.00 C ATOM 85 CG ASP A 9 2.533 14.803 -5.864 1.00 0.00 C ATOM 86 OD1 ASP A 9 2.245 15.958 -5.486 1.00 0.00 O ATOM 87 OD2 ASP A 9 3.310 14.567 -6.813 1.00 0.00 O ATOM 0 H ASP A 9 3.987 14.364 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 9 1.387 14.588 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.393 12.708 -5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.857 13.550 -5.417 1.00 0.00 H new ATOM 92 N ALA A 10 2.353 11.444 -2.984 1.00 0.00 N ATOM 93 CA ALA A 10 2.004 10.164 -2.380 1.00 0.00 C ATOM 94 C ALA A 10 2.163 10.210 -0.865 1.00 0.00 C ATOM 95 O ALA A 10 2.855 11.067 -0.315 1.00 0.00 O ATOM 96 CB ALA A 10 2.859 9.051 -2.969 1.00 0.00 C ATOM 0 H ALA A 10 3.272 11.465 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 10 0.957 9.959 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.587 8.101 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.692 8.994 -4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.911 9.260 -2.776 1.00 0.00 H new ATOM 102 N PRO A 11 1.507 9.267 -0.171 1.00 0.00 N ATOM 103 CA PRO A 11 1.560 9.180 1.291 1.00 0.00 C ATOM 104 C PRO A 11 2.930 8.737 1.796 1.00 0.00 C ATOM 105 O PRO A 11 3.807 8.381 1.008 1.00 0.00 O ATOM 106 CB PRO A 11 0.502 8.124 1.622 1.00 0.00 C ATOM 107 CG PRO A 11 0.405 7.287 0.394 1.00 0.00 C ATOM 108 CD PRO A 11 0.664 8.214 -0.761 1.00 0.00 C ATOM 0 HA PRO A 11 1.381 10.146 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.795 7.527 2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.456 8.585 1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.134 6.477 0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.580 6.827 0.312 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.172 7.704 -1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.263 8.621 -1.165 1.00 0.00 H new ATOM 116 N ARG A 12 3.106 8.762 3.113 1.00 0.00 N ATOM 117 CA ARG A 12 4.369 8.364 3.722 1.00 0.00 C ATOM 118 C ARG A 12 4.130 7.605 5.024 1.00 0.00 C ATOM 119 O ARG A 12 2.997 7.496 5.491 1.00 0.00 O ATOM 120 CB ARG A 12 5.241 9.592 3.989 1.00 0.00 C ATOM 121 CG ARG A 12 5.237 10.600 2.851 1.00 0.00 C ATOM 122 CD ARG A 12 5.633 11.987 3.334 1.00 0.00 C ATOM 123 NE ARG A 12 7.021 12.033 3.785 1.00 0.00 N ATOM 124 CZ ARG A 12 7.592 13.118 4.297 1.00 0.00 C ATOM 125 NH1 ARG A 12 6.897 14.240 4.422 1.00 0.00 N ATOM 126 NH2 ARG A 12 8.860 13.082 4.685 1.00 0.00 N ATOM 0 H ARG A 12 2.390 9.054 3.778 1.00 0.00 H new ATOM 0 HA ARG A 12 4.886 7.704 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.895 10.082 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.265 9.267 4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.927 10.274 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.245 10.639 2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.490 12.706 2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.976 12.288 4.150 1.00 0.00 H new ATOM 0 HE ARG A 12 7.583 11.186 3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.922 14.272 4.125 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.338 15.072 4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.398 12.221 4.590 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.297 13.916 5.078 1.00 0.00 H new ATOM 140 N ASN A 13 5.205 7.080 5.603 1.00 0.00 N ATOM 141 CA ASN A 13 5.112 6.330 6.850 1.00 0.00 C ATOM 142 C ASN A 13 4.213 5.108 6.684 1.00 0.00 C ATOM 143 O ASN A 13 3.279 4.901 7.460 1.00 0.00 O ATOM 144 CB ASN A 13 4.574 7.225 7.969 1.00 0.00 C ATOM 145 CG ASN A 13 5.679 7.955 8.707 1.00 0.00 C ATOM 146 OD1 ASN A 13 6.758 8.186 8.162 1.00 0.00 O ATOM 147 ND2 ASN A 13 5.414 8.322 9.956 1.00 0.00 N ATOM 0 H ASN A 13 6.150 7.160 5.229 1.00 0.00 H new ATOM 0 HA ASN A 13 6.113 5.989 7.116 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.881 7.952 7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.008 6.618 8.676 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.119 8.816 10.503 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.505 8.110 10.368 1.00 0.00 H new ATOM 154 N LEU A 14 4.503 4.301 5.669 1.00 0.00 N ATOM 155 CA LEU A 14 3.721 3.099 5.401 1.00 0.00 C ATOM 156 C LEU A 14 4.055 1.998 6.404 1.00 0.00 C ATOM 157 O LEU A 14 5.077 1.324 6.281 1.00 0.00 O ATOM 158 CB LEU A 14 3.983 2.604 3.978 1.00 0.00 C ATOM 159 CG LEU A 14 3.108 1.445 3.498 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.665 1.898 3.336 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.642 0.879 2.191 1.00 0.00 C ATOM 0 H LEU A 14 5.273 4.457 5.019 1.00 0.00 H new ATOM 0 HA LEU A 14 2.665 3.351 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.849 3.441 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.027 2.298 3.908 1.00 0.00 H new ATOM 0 HG LEU A 14 3.137 0.657 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.057 1.061 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.286 2.254 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.617 2.704 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.007 0.055 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.643 1.660 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.659 0.516 2.340 1.00 0.00 H new ATOM 173 N GLN A 15 3.184 1.822 7.392 1.00 0.00 N ATOM 174 CA GLN A 15 3.386 0.802 8.415 1.00 0.00 C ATOM 175 C GLN A 15 2.245 -0.209 8.407 1.00 0.00 C ATOM 176 O GLN A 15 1.102 0.126 8.722 1.00 0.00 O ATOM 177 CB GLN A 15 3.500 1.450 9.796 1.00 0.00 C ATOM 178 CG GLN A 15 4.921 1.842 10.168 1.00 0.00 C ATOM 179 CD GLN A 15 4.974 2.784 11.355 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.574 2.428 12.463 1.00 0.00 O ATOM 181 NE2 GLN A 15 5.472 3.994 11.128 1.00 0.00 N ATOM 0 H GLN A 15 2.332 2.372 7.506 1.00 0.00 H new ATOM 0 HA GLN A 15 4.314 0.277 8.191 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.868 2.337 9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.114 0.759 10.546 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.494 0.943 10.396 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.399 2.316 9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.792 4.247 10.193 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.534 4.671 11.889 1.00 0.00 H new ATOM 190 N LEU A 16 2.561 -1.448 8.046 1.00 0.00 N ATOM 191 CA LEU A 16 1.561 -2.509 7.997 1.00 0.00 C ATOM 192 C LEU A 16 1.433 -3.199 9.351 1.00 0.00 C ATOM 193 O LEU A 16 2.275 -3.023 10.231 1.00 0.00 O ATOM 194 CB LEU A 16 1.929 -3.534 6.922 1.00 0.00 C ATOM 195 CG LEU A 16 1.592 -3.146 5.482 1.00 0.00 C ATOM 196 CD1 LEU A 16 2.603 -2.144 4.948 1.00 0.00 C ATOM 197 CD2 LEU A 16 1.543 -4.382 4.594 1.00 0.00 C ATOM 0 H LEU A 16 3.501 -1.742 7.783 1.00 0.00 H new ATOM 0 HA LEU A 16 0.600 -2.058 7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.000 -3.727 6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.422 -4.471 7.153 1.00 0.00 H new ATOM 0 HG LEU A 16 0.608 -2.677 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.347 -1.880 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.589 -1.247 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.599 -2.585 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.302 -4.087 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.513 -4.879 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.779 -5.066 4.964 1.00 0.00 H new ATOM 209 N SER A 17 0.375 -3.988 9.510 1.00 0.00 N ATOM 210 CA SER A 17 0.136 -4.704 10.757 1.00 0.00 C ATOM 211 C SER A 17 -0.844 -5.854 10.544 1.00 0.00 C ATOM 212 O SER A 17 -1.327 -6.076 9.433 1.00 0.00 O ATOM 213 CB SER A 17 -0.406 -3.749 11.822 1.00 0.00 C ATOM 214 OG SER A 17 0.131 -2.447 11.660 1.00 0.00 O ATOM 0 H SER A 17 -0.330 -4.147 8.790 1.00 0.00 H new ATOM 0 HA SER A 17 1.086 -5.117 11.098 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.493 -3.708 11.759 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.159 -4.127 12.814 1.00 0.00 H new ATOM 0 HG SER A 17 1.095 -2.509 11.493 1.00 0.00 H new ATOM 220 N LEU A 18 -1.132 -6.583 11.616 1.00 0.00 N ATOM 221 CA LEU A 18 -2.054 -7.712 11.549 1.00 0.00 C ATOM 222 C LEU A 18 -2.930 -7.775 12.797 1.00 0.00 C ATOM 223 O LEU A 18 -2.441 -7.830 13.925 1.00 0.00 O ATOM 224 CB LEU A 18 -1.279 -9.020 11.389 1.00 0.00 C ATOM 225 CG LEU A 18 -0.523 -9.196 10.071 1.00 0.00 C ATOM 226 CD1 LEU A 18 0.619 -10.186 10.239 1.00 0.00 C ATOM 227 CD2 LEU A 18 -1.469 -9.651 8.970 1.00 0.00 C ATOM 0 H LEU A 18 -0.741 -6.413 12.542 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.699 -7.571 10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.564 -9.098 12.208 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.979 -9.849 11.497 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.102 -8.232 9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.145 -10.298 9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.311 -9.818 10.997 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.221 -11.152 10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.914 -9.771 8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.920 -10.603 9.249 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.252 -8.905 8.832 1.00 0.00 H new ATOM 239 N PRO A 19 -4.255 -7.770 12.591 1.00 0.00 N ATOM 240 CA PRO A 19 -5.226 -7.829 13.687 1.00 0.00 C ATOM 241 C PRO A 19 -5.240 -9.189 14.377 1.00 0.00 C ATOM 242 O PRO A 19 -5.813 -10.150 13.862 1.00 0.00 O ATOM 243 CB PRO A 19 -6.564 -7.569 12.990 1.00 0.00 C ATOM 244 CG PRO A 19 -6.348 -8.004 11.582 1.00 0.00 C ATOM 245 CD PRO A 19 -4.907 -7.705 11.272 1.00 0.00 C ATOM 0 HA PRO A 19 -4.994 -7.113 14.476 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.371 -8.132 13.459 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.839 -6.516 13.041 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.560 -9.067 11.465 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.012 -7.470 10.902 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.485 -8.433 10.579 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.790 -6.723 10.813 1.00 0.00 H new ATOM 253 N ARG A 20 -4.607 -9.263 15.543 1.00 0.00 N ATOM 254 CA ARG A 20 -4.546 -10.506 16.302 1.00 0.00 C ATOM 255 C ARG A 20 -5.942 -11.092 16.498 1.00 0.00 C ATOM 256 O ARG A 20 -6.090 -12.267 16.832 1.00 0.00 O ATOM 257 CB ARG A 20 -3.886 -10.267 17.661 1.00 0.00 C ATOM 258 CG ARG A 20 -4.772 -9.522 18.646 1.00 0.00 C ATOM 259 CD ARG A 20 -4.214 -9.590 20.059 1.00 0.00 C ATOM 260 NE ARG A 20 -3.182 -8.583 20.290 1.00 0.00 N ATOM 261 CZ ARG A 20 -2.840 -8.144 21.496 1.00 0.00 C ATOM 262 NH1 ARG A 20 -3.444 -8.622 22.575 1.00 0.00 N ATOM 263 NH2 ARG A 20 -1.892 -7.225 21.624 1.00 0.00 N ATOM 0 H ARG A 20 -4.129 -8.477 15.983 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.947 -11.219 15.736 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.605 -11.228 18.093 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.966 -9.702 17.514 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.863 -8.480 18.339 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.775 -9.948 18.629 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.024 -9.450 20.775 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.799 -10.582 20.237 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.697 -8.195 19.481 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.173 -9.329 22.480 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.179 -8.283 23.500 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.425 -6.855 20.796 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.630 -6.888 22.550 1.00 0.00 H new ATOM 277 N GLU A 21 -6.960 -10.264 16.290 1.00 0.00 N ATOM 278 CA GLU A 21 -8.343 -10.700 16.445 1.00 0.00 C ATOM 279 C GLU A 21 -8.857 -11.348 15.163 1.00 0.00 C ATOM 280 O GLU A 21 -9.679 -12.262 15.204 1.00 0.00 O ATOM 281 CB GLU A 21 -9.235 -9.516 16.825 1.00 0.00 C ATOM 282 CG GLU A 21 -8.824 -8.834 18.119 1.00 0.00 C ATOM 283 CD GLU A 21 -9.323 -7.405 18.210 1.00 0.00 C ATOM 284 OE1 GLU A 21 -10.513 -7.213 18.538 1.00 0.00 O ATOM 285 OE2 GLU A 21 -8.525 -6.480 17.952 1.00 0.00 O ATOM 0 H GLU A 21 -6.854 -9.288 16.014 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.376 -11.441 17.244 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.217 -8.784 16.017 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.264 -9.863 16.918 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.210 -9.404 18.964 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.737 -8.841 18.200 1.00 0.00 H new ATOM 292 N ALA A 22 -8.366 -10.866 14.026 1.00 0.00 N ATOM 293 CA ALA A 22 -8.774 -11.398 12.732 1.00 0.00 C ATOM 294 C ALA A 22 -7.626 -12.141 12.057 1.00 0.00 C ATOM 295 O ALA A 22 -6.458 -11.902 12.361 1.00 0.00 O ATOM 296 CB ALA A 22 -9.279 -10.277 11.835 1.00 0.00 C ATOM 0 H ALA A 22 -7.685 -10.108 13.975 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.584 -12.108 12.899 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.580 -10.689 10.872 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.134 -9.792 12.305 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.485 -9.546 11.684 1.00 0.00 H new ATOM 302 N GLU A 23 -7.967 -13.042 11.142 1.00 0.00 N ATOM 303 CA GLU A 23 -6.963 -13.821 10.426 1.00 0.00 C ATOM 304 C GLU A 23 -6.896 -13.405 8.959 1.00 0.00 C ATOM 305 O GLU A 23 -7.777 -12.707 8.459 1.00 0.00 O ATOM 306 CB GLU A 23 -7.275 -15.315 10.529 1.00 0.00 C ATOM 307 CG GLU A 23 -7.032 -15.893 11.914 1.00 0.00 C ATOM 308 CD GLU A 23 -7.879 -17.119 12.191 1.00 0.00 C ATOM 309 OE1 GLU A 23 -9.115 -16.976 12.296 1.00 0.00 O ATOM 310 OE2 GLU A 23 -7.306 -18.223 12.303 1.00 0.00 O ATOM 0 H GLU A 23 -8.930 -13.251 10.879 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.994 -13.627 10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.316 -15.480 10.253 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.664 -15.856 9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.978 -16.153 12.015 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.246 -15.131 12.664 1.00 0.00 H new ATOM 317 N GLY A 24 -5.841 -13.838 8.275 1.00 0.00 N ATOM 318 CA GLY A 24 -5.677 -13.501 6.873 1.00 0.00 C ATOM 319 C GLY A 24 -6.075 -12.070 6.571 1.00 0.00 C ATOM 320 O GLY A 24 -6.715 -11.797 5.555 1.00 0.00 O ATOM 0 H GLY A 24 -5.097 -14.416 8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.637 -13.654 6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.279 -14.178 6.267 1.00 0.00 H new ATOM 324 N VAL A 25 -5.695 -11.152 7.455 1.00 0.00 N ATOM 325 CA VAL A 25 -6.016 -9.741 7.278 1.00 0.00 C ATOM 326 C VAL A 25 -4.806 -8.861 7.569 1.00 0.00 C ATOM 327 O VAL A 25 -4.084 -9.084 8.542 1.00 0.00 O ATOM 328 CB VAL A 25 -7.181 -9.312 8.190 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.472 -7.829 8.022 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.420 -10.144 7.898 1.00 0.00 C ATOM 0 H VAL A 25 -5.164 -11.361 8.301 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.313 -9.612 6.237 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.892 -9.485 9.226 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.298 -7.544 8.674 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.586 -7.252 8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.741 -7.626 6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.233 -9.827 8.551 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.715 -10.005 6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.201 -11.197 8.075 1.00 0.00 H new ATOM 340 N ILE A 26 -4.590 -7.862 6.720 1.00 0.00 N ATOM 341 CA ILE A 26 -3.468 -6.947 6.888 1.00 0.00 C ATOM 342 C ILE A 26 -3.948 -5.508 7.031 1.00 0.00 C ATOM 343 O ILE A 26 -4.820 -5.056 6.289 1.00 0.00 O ATOM 344 CB ILE A 26 -2.489 -7.034 5.701 1.00 0.00 C ATOM 345 CG1 ILE A 26 -1.861 -8.428 5.630 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.412 -5.967 5.825 1.00 0.00 C ATOM 347 CD1 ILE A 26 -0.836 -8.573 4.528 1.00 0.00 C ATOM 0 H ILE A 26 -5.177 -7.666 5.909 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.950 -7.247 7.799 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.042 -6.859 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.389 -8.654 6.586 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.649 -9.166 5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.728 -6.041 4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.876 -4.981 5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.859 -6.114 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.433 -9.586 4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.308 -8.379 3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.028 -7.859 4.687 1.00 0.00 H new ATOM 359 N VAL A 27 -3.373 -4.790 7.991 1.00 0.00 N ATOM 360 CA VAL A 27 -3.740 -3.400 8.231 1.00 0.00 C ATOM 361 C VAL A 27 -2.614 -2.456 7.824 1.00 0.00 C ATOM 362 O VAL A 27 -1.638 -2.286 8.553 1.00 0.00 O ATOM 363 CB VAL A 27 -4.087 -3.159 9.712 1.00 0.00 C ATOM 364 CG1 VAL A 27 -4.488 -1.709 9.938 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.193 -4.102 10.160 1.00 0.00 C ATOM 0 H VAL A 27 -2.651 -5.149 8.615 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.620 -3.195 7.621 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.201 -3.364 10.312 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.730 -1.558 10.990 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.662 -1.055 9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.360 -1.473 9.328 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.425 -3.918 11.209 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.084 -3.931 9.555 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.863 -5.134 10.037 1.00 0.00 H new ATOM 375 N GLY A 28 -2.758 -1.843 6.653 1.00 0.00 N ATOM 376 CA GLY A 28 -1.745 -0.923 6.168 1.00 0.00 C ATOM 377 C GLY A 28 -2.052 0.518 6.527 1.00 0.00 C ATOM 378 O GLY A 28 -3.114 1.038 6.183 1.00 0.00 O ATOM 0 H GLY A 28 -3.557 -1.967 6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.777 -1.200 6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.663 -1.015 5.085 1.00 0.00 H new ATOM 382 N HIS A 29 -1.121 1.164 7.222 1.00 0.00 N ATOM 383 CA HIS A 29 -1.298 2.554 7.628 1.00 0.00 C ATOM 384 C HIS A 29 -0.331 3.466 6.880 1.00 0.00 C ATOM 385 O HIS A 29 0.663 3.006 6.319 1.00 0.00 O ATOM 386 CB HIS A 29 -1.088 2.697 9.136 1.00 0.00 C ATOM 387 CG HIS A 29 -1.908 1.741 9.948 1.00 0.00 C ATOM 388 ND1 HIS A 29 -1.404 0.565 10.461 1.00 0.00 N ATOM 389 CD2 HIS A 29 -3.203 1.795 10.336 1.00 0.00 C ATOM 390 CE1 HIS A 29 -2.354 -0.065 11.128 1.00 0.00 C ATOM 391 NE2 HIS A 29 -3.456 0.661 11.068 1.00 0.00 N ATOM 0 H HIS A 29 -0.237 0.748 7.516 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.317 2.852 7.380 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.033 2.543 9.364 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -1.333 3.717 9.434 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -0.447 0.233 10.344 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.907 2.583 10.112 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.248 -1.012 11.636 1.00 0.00 H new ATOM 399 N TRP A 30 -0.631 4.760 6.874 1.00 0.00 N ATOM 400 CA TRP A 30 0.212 5.737 6.194 1.00 0.00 C ATOM 401 C TRP A 30 -0.120 7.153 6.649 1.00 0.00 C ATOM 402 O TRP A 30 -0.984 7.355 7.501 1.00 0.00 O ATOM 403 CB TRP A 30 0.039 5.621 4.678 1.00 0.00 C ATOM 404 CG TRP A 30 -1.388 5.721 4.234 1.00 0.00 C ATOM 405 CD1 TRP A 30 -2.080 6.864 3.948 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.299 4.636 4.025 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.366 6.554 3.575 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.525 5.194 3.614 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.197 3.247 4.144 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.639 4.411 3.323 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.304 2.472 3.855 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.511 3.054 3.448 1.00 0.00 C ATOM 0 H TRP A 30 -1.451 5.157 7.332 1.00 0.00 H new ATOM 0 HA TRP A 30 1.250 5.527 6.452 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.619 6.406 4.192 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.450 4.668 4.344 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.676 7.864 4.006 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.085 7.227 3.312 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.270 2.788 4.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.571 4.858 3.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.237 1.398 3.945 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.357 2.420 3.229 1.00 0.00 H new ATOM 423 N ALA A 31 0.572 8.132 6.075 1.00 0.00 N ATOM 424 CA ALA A 31 0.349 9.530 6.421 1.00 0.00 C ATOM 425 C ALA A 31 0.016 10.356 5.183 1.00 0.00 C ATOM 426 O ALA A 31 0.281 9.954 4.050 1.00 0.00 O ATOM 427 CB ALA A 31 1.570 10.102 7.126 1.00 0.00 C ATOM 0 H ALA A 31 1.292 7.982 5.368 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.503 9.578 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.388 11.147 7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.762 9.537 8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.436 10.033 6.468 1.00 0.00 H new ATOM 433 N PRO A 32 -0.580 11.537 5.402 1.00 0.00 N ATOM 434 CA PRO A 32 -0.963 12.444 4.315 1.00 0.00 C ATOM 435 C PRO A 32 0.247 13.070 3.630 1.00 0.00 C ATOM 436 O PRO A 32 1.274 13.339 4.253 1.00 0.00 O ATOM 437 CB PRO A 32 -1.791 13.518 5.024 1.00 0.00 C ATOM 438 CG PRO A 32 -1.303 13.505 6.431 1.00 0.00 C ATOM 439 CD PRO A 32 -0.927 12.080 6.726 1.00 0.00 C ATOM 0 HA PRO A 32 -1.502 11.926 3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.648 14.496 4.564 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.857 13.295 4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.446 14.168 6.553 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.076 13.854 7.115 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.086 12.021 7.417 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.753 11.533 7.181 1.00 0.00 H new ATOM 447 N PRO A 33 0.126 13.309 2.315 1.00 0.00 N ATOM 448 CA PRO A 33 1.200 13.907 1.517 1.00 0.00 C ATOM 449 C PRO A 33 1.430 15.375 1.862 1.00 0.00 C ATOM 450 O PRO A 33 0.484 16.112 2.141 1.00 0.00 O ATOM 451 CB PRO A 33 0.693 13.769 0.080 1.00 0.00 C ATOM 452 CG PRO A 33 -0.791 13.712 0.205 1.00 0.00 C ATOM 453 CD PRO A 33 -1.069 13.014 1.507 1.00 0.00 C ATOM 0 HA PRO A 33 2.159 13.420 1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.006 14.614 -0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.085 12.869 -0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.222 14.713 0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.233 13.170 -0.631 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.976 13.391 1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.205 11.942 1.367 1.00 0.00 H new ATOM 461 N ILE A 34 2.691 15.792 1.841 1.00 0.00 N ATOM 462 CA ILE A 34 3.044 17.172 2.150 1.00 0.00 C ATOM 463 C ILE A 34 2.306 18.146 1.238 1.00 0.00 C ATOM 464 O ILE A 34 1.929 19.241 1.656 1.00 0.00 O ATOM 465 CB ILE A 34 4.560 17.410 2.016 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.331 16.439 2.913 1.00 0.00 C ATOM 467 CG2 ILE A 34 4.903 18.850 2.366 1.00 0.00 C ATOM 468 CD1 ILE A 34 6.824 16.451 2.672 1.00 0.00 C ATOM 0 H ILE A 34 3.485 15.194 1.613 1.00 0.00 H new ATOM 0 HA ILE A 34 2.747 17.349 3.184 1.00 0.00 H new ATOM 0 HB ILE A 34 4.852 17.229 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.137 16.689 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.953 15.429 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.978 19.003 2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.377 19.524 1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.601 19.057 3.393 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.306 15.739 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.028 16.172 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.215 17.451 2.862 1.00 0.00 H new ATOM 480 N HIS A 35 2.100 17.739 -0.011 1.00 0.00 N ATOM 481 CA HIS A 35 1.404 18.574 -0.983 1.00 0.00 C ATOM 482 C HIS A 35 0.899 17.738 -2.155 1.00 0.00 C ATOM 483 O HIS A 35 1.503 16.728 -2.517 1.00 0.00 O ATOM 484 CB HIS A 35 2.329 19.680 -1.491 1.00 0.00 C ATOM 485 CG HIS A 35 2.417 20.858 -0.570 1.00 0.00 C ATOM 486 ND1 HIS A 35 1.309 21.531 -0.101 1.00 0.00 N ATOM 487 CD2 HIS A 35 3.491 21.481 -0.030 1.00 0.00 C ATOM 488 CE1 HIS A 35 1.697 22.518 0.687 1.00 0.00 C ATOM 489 NE2 HIS A 35 3.017 22.509 0.747 1.00 0.00 N ATOM 0 H HIS A 35 2.405 16.836 -0.373 1.00 0.00 H new ATOM 0 HA HIS A 35 0.546 19.028 -0.487 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.328 19.268 -1.637 1.00 0.00 H new ATOM 0 HB3 HIS A 35 1.977 20.017 -2.466 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.527 21.218 -0.182 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.046 23.214 1.196 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.591 23.160 1.283 1.00 0.00 H new ATOM 497 N THR A 36 -0.214 18.166 -2.744 1.00 0.00 N ATOM 498 CA THR A 36 -0.801 17.456 -3.874 1.00 0.00 C ATOM 499 C THR A 36 -1.395 18.429 -4.886 1.00 0.00 C ATOM 500 O THR A 36 -1.974 19.451 -4.514 1.00 0.00 O ATOM 501 CB THR A 36 -1.899 16.479 -3.413 1.00 0.00 C ATOM 502 OG1 THR A 36 -2.992 17.205 -2.840 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.351 15.489 -2.396 1.00 0.00 C ATOM 0 H THR A 36 -0.726 19.000 -2.457 1.00 0.00 H new ATOM 0 HA THR A 36 0.003 16.892 -4.346 1.00 0.00 H new ATOM 0 HB THR A 36 -2.249 15.924 -4.283 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.741 17.221 -3.472 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.145 14.810 -2.085 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.539 14.917 -2.846 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.976 16.030 -1.527 1.00 0.00 H new ATOM 511 N HIS A 37 -1.248 18.106 -6.167 1.00 0.00 N ATOM 512 CA HIS A 37 -1.771 18.952 -7.234 1.00 0.00 C ATOM 513 C HIS A 37 -3.135 19.523 -6.855 1.00 0.00 C ATOM 514 O HIS A 37 -3.353 20.732 -6.920 1.00 0.00 O ATOM 515 CB HIS A 37 -1.882 18.158 -8.535 1.00 0.00 C ATOM 516 CG HIS A 37 -0.611 18.128 -9.328 1.00 0.00 C ATOM 517 ND1 HIS A 37 0.202 17.017 -9.405 1.00 0.00 N ATOM 518 CD2 HIS A 37 -0.016 19.081 -10.083 1.00 0.00 C ATOM 519 CE1 HIS A 37 1.243 17.288 -10.171 1.00 0.00 C ATOM 520 NE2 HIS A 37 1.134 18.534 -10.596 1.00 0.00 N ATOM 0 H HIS A 37 -0.771 17.265 -6.491 1.00 0.00 H new ATOM 0 HA HIS A 37 -1.077 19.780 -7.381 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.180 17.136 -8.303 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.673 18.589 -9.148 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.378 20.085 -10.251 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.047 16.607 -10.409 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.797 19.012 -11.206 1.00 0.00 H new ATOM 528 N GLY A 38 -4.050 18.643 -6.459 1.00 0.00 N ATOM 529 CA GLY A 38 -5.381 19.079 -6.077 1.00 0.00 C ATOM 530 C GLY A 38 -5.895 18.359 -4.846 1.00 0.00 C ATOM 531 O GLY A 38 -5.299 17.379 -4.396 1.00 0.00 O ATOM 0 H GLY A 38 -3.894 17.637 -6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.368 20.152 -5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.068 18.910 -6.906 1.00 0.00 H new ATOM 535 N LEU A 39 -7.002 18.847 -4.297 1.00 0.00 N ATOM 536 CA LEU A 39 -7.595 18.245 -3.108 1.00 0.00 C ATOM 537 C LEU A 39 -7.618 16.724 -3.221 1.00 0.00 C ATOM 538 O LEU A 39 -7.982 16.174 -4.261 1.00 0.00 O ATOM 539 CB LEU A 39 -9.016 18.773 -2.899 1.00 0.00 C ATOM 540 CG LEU A 39 -9.731 18.294 -1.636 1.00 0.00 C ATOM 541 CD1 LEU A 39 -10.806 19.288 -1.222 1.00 0.00 C ATOM 542 CD2 LEU A 39 -10.335 16.915 -1.855 1.00 0.00 C ATOM 0 H LEU A 39 -7.507 19.657 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.982 18.518 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.978 19.862 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.618 18.490 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.999 18.225 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.305 18.931 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.348 20.257 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.536 19.389 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.840 16.590 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.054 16.958 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.545 16.207 -2.104 1.00 0.00 H new ATOM 554 N ILE A 40 -7.228 16.050 -2.144 1.00 0.00 N ATOM 555 CA ILE A 40 -7.207 14.593 -2.121 1.00 0.00 C ATOM 556 C ILE A 40 -8.598 14.027 -1.860 1.00 0.00 C ATOM 557 O ILE A 40 -9.181 14.250 -0.799 1.00 0.00 O ATOM 558 CB ILE A 40 -6.238 14.060 -1.049 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.799 14.452 -1.390 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.366 12.550 -0.923 1.00 0.00 C ATOM 561 CD1 ILE A 40 -3.864 14.413 -0.202 1.00 0.00 C ATOM 0 H ILE A 40 -6.922 16.490 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.864 14.267 -3.103 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.499 14.508 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.421 13.781 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.795 15.457 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.675 12.189 -0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.386 12.294 -0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.129 12.084 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.862 14.702 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.218 15.105 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.838 13.403 0.207 1.00 0.00 H new ATOM 573 N ARG A 41 -9.124 13.291 -2.834 1.00 0.00 N ATOM 574 CA ARG A 41 -10.447 12.692 -2.709 1.00 0.00 C ATOM 575 C ARG A 41 -10.409 11.477 -1.787 1.00 0.00 C ATOM 576 O ARG A 41 -11.243 11.338 -0.892 1.00 0.00 O ATOM 577 CB ARG A 41 -10.978 12.285 -4.085 1.00 0.00 C ATOM 578 CG ARG A 41 -11.040 13.433 -5.078 1.00 0.00 C ATOM 579 CD ARG A 41 -11.920 13.092 -6.270 1.00 0.00 C ATOM 580 NE ARG A 41 -13.340 13.244 -5.964 1.00 0.00 N ATOM 581 CZ ARG A 41 -13.958 14.418 -5.907 1.00 0.00 C ATOM 582 NH1 ARG A 41 -13.284 15.537 -6.134 1.00 0.00 N ATOM 583 NH2 ARG A 41 -15.252 14.475 -5.622 1.00 0.00 N ATOM 0 H ARG A 41 -8.654 13.095 -3.718 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.115 13.435 -2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.343 11.498 -4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.976 11.862 -3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.426 14.324 -4.582 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.034 13.671 -5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.659 13.737 -7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.725 12.066 -6.583 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.887 12.402 -5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.289 15.497 -6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.761 16.438 -6.090 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.774 13.616 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.725 15.377 -5.579 1.00 0.00 H new ATOM 597 N GLU A 42 -9.436 10.600 -2.012 1.00 0.00 N ATOM 598 CA GLU A 42 -9.290 9.396 -1.202 1.00 0.00 C ATOM 599 C GLU A 42 -7.929 8.747 -1.431 1.00 0.00 C ATOM 600 O GLU A 42 -7.129 9.225 -2.236 1.00 0.00 O ATOM 601 CB GLU A 42 -10.404 8.398 -1.526 1.00 0.00 C ATOM 602 CG GLU A 42 -10.595 8.161 -3.015 1.00 0.00 C ATOM 603 CD GLU A 42 -12.004 7.722 -3.360 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.693 7.184 -2.468 1.00 0.00 O ATOM 605 OE2 GLU A 42 -12.419 7.916 -4.522 1.00 0.00 O ATOM 0 H GLU A 42 -8.737 10.700 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.364 9.684 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.181 7.448 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.340 8.761 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.361 9.077 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.889 7.402 -3.352 1.00 0.00 H new ATOM 612 N TYR A 43 -7.673 7.655 -0.719 1.00 0.00 N ATOM 613 CA TYR A 43 -6.407 6.942 -0.842 1.00 0.00 C ATOM 614 C TYR A 43 -6.636 5.498 -1.280 1.00 0.00 C ATOM 615 O TYR A 43 -7.403 4.763 -0.657 1.00 0.00 O ATOM 616 CB TYR A 43 -5.651 6.969 0.488 1.00 0.00 C ATOM 617 CG TYR A 43 -5.458 8.360 1.046 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.357 9.128 0.688 1.00 0.00 C ATOM 619 CD2 TYR A 43 -6.379 8.908 1.932 1.00 0.00 C ATOM 620 CE1 TYR A 43 -4.177 10.400 1.197 1.00 0.00 C ATOM 621 CE2 TYR A 43 -6.207 10.179 2.445 1.00 0.00 C ATOM 622 CZ TYR A 43 -5.105 10.921 2.075 1.00 0.00 C ATOM 623 OH TYR A 43 -4.930 12.188 2.583 1.00 0.00 O ATOM 0 H TYR A 43 -8.325 7.244 -0.051 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.809 7.444 -1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.193 6.366 1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.675 6.503 0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.629 8.724 -0.000 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.243 8.330 2.224 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.315 10.983 0.909 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.932 10.590 3.132 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.672 12.404 3.185 1.00 0.00 H new ATOM 633 N ILE A 44 -5.965 5.100 -2.355 1.00 0.00 N ATOM 634 CA ILE A 44 -6.093 3.745 -2.877 1.00 0.00 C ATOM 635 C ILE A 44 -5.007 2.834 -2.314 1.00 0.00 C ATOM 636 O ILE A 44 -3.878 3.266 -2.082 1.00 0.00 O ATOM 637 CB ILE A 44 -6.018 3.724 -4.415 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.754 2.501 -4.967 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.568 3.728 -4.875 1.00 0.00 C ATOM 640 CD1 ILE A 44 -7.199 2.661 -6.404 1.00 0.00 C ATOM 0 H ILE A 44 -5.327 5.696 -2.882 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.071 3.378 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.503 4.621 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.102 1.630 -4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.627 2.301 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.532 3.713 -5.964 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.072 4.627 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.059 2.847 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.713 1.756 -6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.876 3.511 -6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.329 2.831 -7.038 1.00 0.00 H new ATOM 652 N VAL A 45 -5.356 1.570 -2.097 1.00 0.00 N ATOM 653 CA VAL A 45 -4.411 0.597 -1.564 1.00 0.00 C ATOM 654 C VAL A 45 -4.347 -0.646 -2.445 1.00 0.00 C ATOM 655 O VAL A 45 -5.344 -1.344 -2.623 1.00 0.00 O ATOM 656 CB VAL A 45 -4.786 0.177 -0.130 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.723 1.372 0.809 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.167 -0.459 -0.105 1.00 0.00 C ATOM 0 H VAL A 45 -6.287 1.196 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.434 1.080 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.064 -0.564 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.991 1.057 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.712 1.779 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.421 2.138 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.415 -0.750 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.904 0.257 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.173 -1.341 -0.745 1.00 0.00 H new ATOM 668 N GLU A 46 -3.166 -0.917 -2.993 1.00 0.00 N ATOM 669 CA GLU A 46 -2.972 -2.076 -3.855 1.00 0.00 C ATOM 670 C GLU A 46 -2.137 -3.143 -3.154 1.00 0.00 C ATOM 671 O GLU A 46 -1.062 -2.858 -2.627 1.00 0.00 O ATOM 672 CB GLU A 46 -2.294 -1.660 -5.162 1.00 0.00 C ATOM 673 CG GLU A 46 -3.271 -1.244 -6.249 1.00 0.00 C ATOM 674 CD GLU A 46 -2.579 -0.897 -7.553 1.00 0.00 C ATOM 675 OE1 GLU A 46 -1.415 -0.446 -7.505 1.00 0.00 O ATOM 676 OE2 GLU A 46 -3.201 -1.075 -8.621 1.00 0.00 O ATOM 0 H GLU A 46 -2.330 -0.349 -2.855 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.952 -2.496 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.613 -0.833 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.689 -2.489 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.981 -2.052 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.845 -0.383 -5.906 1.00 0.00 H new ATOM 683 N TYR A 47 -2.640 -4.372 -3.150 1.00 0.00 N ATOM 684 CA TYR A 47 -1.943 -5.482 -2.511 1.00 0.00 C ATOM 685 C TYR A 47 -1.880 -6.692 -3.438 1.00 0.00 C ATOM 686 O TYR A 47 -2.777 -6.912 -4.252 1.00 0.00 O ATOM 687 CB TYR A 47 -2.639 -5.863 -1.203 1.00 0.00 C ATOM 688 CG TYR A 47 -4.111 -6.167 -1.366 1.00 0.00 C ATOM 689 CD1 TYR A 47 -5.041 -5.144 -1.504 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.571 -7.478 -1.384 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.387 -5.418 -1.652 1.00 0.00 C ATOM 692 CE2 TYR A 47 -5.915 -7.761 -1.534 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.819 -6.728 -1.667 1.00 0.00 C ATOM 694 OH TYR A 47 -8.159 -7.004 -1.816 1.00 0.00 O ATOM 0 H TYR A 47 -3.528 -4.625 -3.582 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.924 -5.161 -2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.142 -6.735 -0.777 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.522 -5.048 -0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.706 -4.117 -1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.866 -8.289 -1.279 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.097 -4.611 -1.755 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.256 -8.786 -1.547 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.296 -7.974 -1.807 1.00 0.00 H new ATOM 704 N SER A 48 -0.814 -7.475 -3.307 1.00 0.00 N ATOM 705 CA SER A 48 -0.631 -8.662 -4.134 1.00 0.00 C ATOM 706 C SER A 48 0.273 -9.674 -3.438 1.00 0.00 C ATOM 707 O SER A 48 1.176 -9.304 -2.686 1.00 0.00 O ATOM 708 CB SER A 48 -0.036 -8.277 -5.490 1.00 0.00 C ATOM 709 OG SER A 48 0.274 -9.429 -6.256 1.00 0.00 O ATOM 0 H SER A 48 -0.064 -7.309 -2.636 1.00 0.00 H new ATOM 0 HA SER A 48 -1.607 -9.121 -4.291 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.742 -7.652 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.865 -7.683 -5.340 1.00 0.00 H new ATOM 0 HG SER A 48 -0.548 -9.793 -6.647 1.00 0.00 H new ATOM 715 N ARG A 49 0.024 -10.955 -3.694 1.00 0.00 N ATOM 716 CA ARG A 49 0.814 -12.022 -3.091 1.00 0.00 C ATOM 717 C ARG A 49 2.183 -12.128 -3.758 1.00 0.00 C ATOM 718 O ARG A 49 2.281 -12.298 -4.973 1.00 0.00 O ATOM 719 CB ARG A 49 0.076 -13.357 -3.203 1.00 0.00 C ATOM 720 CG ARG A 49 0.418 -14.337 -2.093 1.00 0.00 C ATOM 721 CD ARG A 49 -0.383 -15.624 -2.219 1.00 0.00 C ATOM 722 NE ARG A 49 -0.131 -16.302 -3.487 1.00 0.00 N ATOM 723 CZ ARG A 49 0.920 -17.085 -3.707 1.00 0.00 C ATOM 724 NH1 ARG A 49 1.812 -17.286 -2.747 1.00 0.00 N ATOM 725 NH2 ARG A 49 1.079 -17.668 -4.888 1.00 0.00 N ATOM 0 H ARG A 49 -0.718 -11.279 -4.315 1.00 0.00 H new ATOM 0 HA ARG A 49 0.959 -11.782 -2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.998 -13.171 -3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.312 -13.813 -4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.483 -14.566 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.219 -13.876 -1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.130 -16.291 -1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.446 -15.399 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.799 -16.167 -4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.692 -16.839 -1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.618 -17.887 -2.918 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.394 -17.515 -5.628 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.886 -18.269 -5.056 1.00 0.00 H new ATOM 739 N SER A 50 3.236 -12.026 -2.954 1.00 0.00 N ATOM 740 CA SER A 50 4.599 -12.106 -3.466 1.00 0.00 C ATOM 741 C SER A 50 4.778 -13.342 -4.343 1.00 0.00 C ATOM 742 O SER A 50 5.176 -14.403 -3.865 1.00 0.00 O ATOM 743 CB SER A 50 5.600 -12.138 -2.310 1.00 0.00 C ATOM 744 OG SER A 50 6.920 -11.907 -2.771 1.00 0.00 O ATOM 0 H SER A 50 3.172 -11.888 -1.945 1.00 0.00 H new ATOM 0 HA SER A 50 4.785 -11.220 -4.073 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.332 -11.382 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.551 -13.105 -1.809 1.00 0.00 H new ATOM 0 HG SER A 50 7.540 -11.931 -2.013 1.00 0.00 H new ATOM 750 N GLY A 51 4.481 -13.194 -5.630 1.00 0.00 N ATOM 751 CA GLY A 51 4.614 -14.305 -6.555 1.00 0.00 C ATOM 752 C GLY A 51 3.441 -14.411 -7.508 1.00 0.00 C ATOM 753 O GLY A 51 3.022 -15.511 -7.868 1.00 0.00 O ATOM 0 H GLY A 51 4.151 -12.325 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.534 -14.188 -7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.705 -15.234 -5.992 1.00 0.00 H new ATOM 757 N SER A 52 2.907 -13.264 -7.917 1.00 0.00 N ATOM 758 CA SER A 52 1.770 -13.233 -8.830 1.00 0.00 C ATOM 759 C SER A 52 1.580 -11.835 -9.412 1.00 0.00 C ATOM 760 O SER A 52 1.926 -10.835 -8.783 1.00 0.00 O ATOM 761 CB SER A 52 0.496 -13.675 -8.107 1.00 0.00 C ATOM 762 OG SER A 52 0.330 -15.080 -8.179 1.00 0.00 O ATOM 0 H SER A 52 3.243 -12.345 -7.631 1.00 0.00 H new ATOM 0 HA SER A 52 1.973 -13.924 -9.648 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.540 -13.364 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.368 -13.180 -8.551 1.00 0.00 H new ATOM 0 HG SER A 52 1.203 -15.517 -8.091 1.00 0.00 H new ATOM 768 N LYS A 53 1.027 -11.775 -10.618 1.00 0.00 N ATOM 769 CA LYS A 53 0.788 -10.501 -11.288 1.00 0.00 C ATOM 770 C LYS A 53 -0.638 -10.018 -11.044 1.00 0.00 C ATOM 771 O LYS A 53 -1.254 -9.407 -11.917 1.00 0.00 O ATOM 772 CB LYS A 53 1.042 -10.636 -12.791 1.00 0.00 C ATOM 773 CG LYS A 53 2.505 -10.843 -13.144 1.00 0.00 C ATOM 774 CD LYS A 53 3.292 -9.547 -13.041 1.00 0.00 C ATOM 775 CE LYS A 53 3.293 -8.790 -14.360 1.00 0.00 C ATOM 776 NZ LYS A 53 2.066 -7.962 -14.526 1.00 0.00 N ATOM 0 H LYS A 53 0.736 -12.593 -11.152 1.00 0.00 H new ATOM 0 HA LYS A 53 1.478 -9.766 -10.874 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.462 -11.475 -13.175 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.679 -9.740 -13.294 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.939 -11.588 -12.477 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.584 -11.238 -14.157 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.862 -8.920 -12.260 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.318 -9.766 -12.745 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.173 -8.149 -14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.367 -9.498 -15.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.279 -7.144 -15.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.318 -8.534 -14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.743 -7.629 -13.595 1.00 0.00 H new ATOM 790 N MET A 54 -1.156 -10.293 -9.851 1.00 0.00 N ATOM 791 CA MET A 54 -2.508 -9.883 -9.492 1.00 0.00 C ATOM 792 C MET A 54 -2.488 -8.906 -8.321 1.00 0.00 C ATOM 793 O MET A 54 -1.956 -9.213 -7.254 1.00 0.00 O ATOM 794 CB MET A 54 -3.357 -11.105 -9.137 1.00 0.00 C ATOM 795 CG MET A 54 -4.560 -10.777 -8.267 1.00 0.00 C ATOM 796 SD MET A 54 -5.744 -12.134 -8.180 1.00 0.00 S ATOM 797 CE MET A 54 -5.446 -12.737 -6.520 1.00 0.00 C ATOM 0 H MET A 54 -0.660 -10.798 -9.117 1.00 0.00 H new ATOM 0 HA MET A 54 -2.949 -9.381 -10.353 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.702 -11.577 -10.057 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.732 -11.833 -8.620 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.220 -10.532 -7.261 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.057 -9.891 -8.661 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.105 -13.580 -6.315 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.408 -13.058 -6.430 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.643 -11.940 -5.803 1.00 0.00 H new ATOM 807 N TRP A 55 -3.069 -7.730 -8.528 1.00 0.00 N ATOM 808 CA TRP A 55 -3.116 -6.708 -7.488 1.00 0.00 C ATOM 809 C TRP A 55 -4.532 -6.169 -7.319 1.00 0.00 C ATOM 810 O TRP A 55 -5.146 -5.698 -8.277 1.00 0.00 O ATOM 811 CB TRP A 55 -2.159 -5.564 -7.825 1.00 0.00 C ATOM 812 CG TRP A 55 -0.718 -5.978 -7.837 1.00 0.00 C ATOM 813 CD1 TRP A 55 -0.100 -6.767 -8.764 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.282 -5.627 -6.875 1.00 0.00 C ATOM 815 NE1 TRP A 55 1.225 -6.928 -8.437 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.485 -6.237 -7.283 1.00 0.00 C ATOM 817 CE3 TRP A 55 0.280 -4.854 -5.711 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.670 -6.098 -6.566 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.458 -4.718 -5.000 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.639 -5.336 -5.430 1.00 0.00 C ATOM 0 H TRP A 55 -3.514 -7.460 -9.405 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.807 -7.166 -6.549 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.421 -5.157 -8.802 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.293 -4.762 -7.099 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.582 -7.201 -9.628 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.904 -7.473 -8.967 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.625 -4.372 -5.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.582 -6.575 -6.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.468 -4.125 -4.097 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.543 -5.209 -4.853 1.00 0.00 H new ATOM 831 N ALA A 56 -5.046 -6.241 -6.096 1.00 0.00 N ATOM 832 CA ALA A 56 -6.389 -5.757 -5.802 1.00 0.00 C ATOM 833 C ALA A 56 -6.349 -4.360 -5.192 1.00 0.00 C ATOM 834 O ALA A 56 -5.742 -4.147 -4.143 1.00 0.00 O ATOM 835 CB ALA A 56 -7.105 -6.722 -4.867 1.00 0.00 C ATOM 0 H ALA A 56 -4.553 -6.630 -5.292 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.940 -5.700 -6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.107 -6.348 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.175 -7.702 -5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.546 -6.808 -3.935 1.00 0.00 H new ATOM 841 N SER A 57 -6.999 -3.411 -5.858 1.00 0.00 N ATOM 842 CA SER A 57 -7.033 -2.032 -5.384 1.00 0.00 C ATOM 843 C SER A 57 -8.397 -1.696 -4.789 1.00 0.00 C ATOM 844 O SER A 57 -9.430 -2.141 -5.288 1.00 0.00 O ATOM 845 CB SER A 57 -6.712 -1.069 -6.529 1.00 0.00 C ATOM 846 OG SER A 57 -7.721 -1.104 -7.523 1.00 0.00 O ATOM 0 H SER A 57 -7.509 -3.571 -6.727 1.00 0.00 H new ATOM 0 HA SER A 57 -6.279 -1.923 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.616 -0.055 -6.140 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.752 -1.333 -6.972 1.00 0.00 H new ATOM 0 HG SER A 57 -7.493 -0.479 -8.243 1.00 0.00 H new ATOM 852 N GLN A 58 -8.391 -0.907 -3.719 1.00 0.00 N ATOM 853 CA GLN A 58 -9.628 -0.512 -3.055 1.00 0.00 C ATOM 854 C GLN A 58 -9.528 0.914 -2.522 1.00 0.00 C ATOM 855 O GLN A 58 -8.432 1.454 -2.369 1.00 0.00 O ATOM 856 CB GLN A 58 -9.948 -1.475 -1.911 1.00 0.00 C ATOM 857 CG GLN A 58 -8.990 -1.364 -0.736 1.00 0.00 C ATOM 858 CD GLN A 58 -9.463 -2.140 0.478 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.593 -1.971 0.935 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.597 -2.997 1.006 1.00 0.00 N ATOM 0 H GLN A 58 -7.544 -0.529 -3.294 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.433 -0.551 -3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.963 -1.286 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.927 -2.497 -2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.008 -1.730 -1.037 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.870 -0.314 -0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.670 -3.105 0.594 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.859 -3.548 1.824 1.00 0.00 H new ATOM 869 N ARG A 59 -10.678 1.518 -2.242 1.00 0.00 N ATOM 870 CA ARG A 59 -10.719 2.881 -1.728 1.00 0.00 C ATOM 871 C ARG A 59 -10.701 2.888 -0.202 1.00 0.00 C ATOM 872 O ARG A 59 -11.336 2.051 0.439 1.00 0.00 O ATOM 873 CB ARG A 59 -11.968 3.603 -2.237 1.00 0.00 C ATOM 874 CG ARG A 59 -11.991 3.792 -3.744 1.00 0.00 C ATOM 875 CD ARG A 59 -10.624 4.190 -4.277 1.00 0.00 C ATOM 876 NE ARG A 59 -10.716 4.881 -5.560 1.00 0.00 N ATOM 877 CZ ARG A 59 -11.014 4.273 -6.703 1.00 0.00 C ATOM 878 NH1 ARG A 59 -11.248 2.968 -6.721 1.00 0.00 N ATOM 879 NH2 ARG A 59 -11.079 4.970 -7.830 1.00 0.00 N ATOM 0 H ARG A 59 -11.594 1.085 -2.363 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.833 3.405 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.851 3.039 -1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.034 4.579 -1.756 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.314 2.868 -4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.721 4.558 -4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.127 4.835 -3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.005 3.300 -4.389 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.542 5.886 -5.580 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.199 2.429 -5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.477 2.503 -7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.900 5.974 -7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.308 4.502 -8.707 1.00 0.00 H new ATOM 893 N ALA A 60 -9.968 3.837 0.372 1.00 0.00 N ATOM 894 CA ALA A 60 -9.868 3.953 1.821 1.00 0.00 C ATOM 895 C ALA A 60 -10.174 5.374 2.281 1.00 0.00 C ATOM 896 O ALA A 60 -9.527 6.328 1.849 1.00 0.00 O ATOM 897 CB ALA A 60 -8.484 3.530 2.290 1.00 0.00 C ATOM 0 H ALA A 60 -9.435 4.536 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.609 3.289 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.424 3.622 3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.303 2.494 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.732 4.171 1.829 1.00 0.00 H new ATOM 903 N ALA A 61 -11.164 5.508 3.157 1.00 0.00 N ATOM 904 CA ALA A 61 -11.554 6.813 3.675 1.00 0.00 C ATOM 905 C ALA A 61 -10.455 7.408 4.550 1.00 0.00 C ATOM 906 O ALA A 61 -10.016 8.537 4.330 1.00 0.00 O ATOM 907 CB ALA A 61 -12.853 6.703 4.460 1.00 0.00 C ATOM 0 H ALA A 61 -11.711 4.728 3.523 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.709 7.480 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.132 7.685 4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.642 6.329 3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.717 6.015 5.295 1.00 0.00 H new ATOM 913 N SER A 62 -10.014 6.641 5.542 1.00 0.00 N ATOM 914 CA SER A 62 -8.969 7.094 6.452 1.00 0.00 C ATOM 915 C SER A 62 -7.587 6.747 5.908 1.00 0.00 C ATOM 916 O SER A 62 -7.459 6.171 4.828 1.00 0.00 O ATOM 917 CB SER A 62 -9.158 6.463 7.833 1.00 0.00 C ATOM 918 OG SER A 62 -9.981 7.273 8.655 1.00 0.00 O ATOM 0 H SER A 62 -10.364 5.703 5.736 1.00 0.00 H new ATOM 0 HA SER A 62 -9.044 8.178 6.541 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.605 5.475 7.727 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.187 6.324 8.309 1.00 0.00 H new ATOM 0 HG SER A 62 -10.088 6.847 9.531 1.00 0.00 H new ATOM 924 N ASN A 63 -6.554 7.104 6.664 1.00 0.00 N ATOM 925 CA ASN A 63 -5.179 6.832 6.258 1.00 0.00 C ATOM 926 C ASN A 63 -4.786 5.398 6.597 1.00 0.00 C ATOM 927 O ASN A 63 -3.709 5.150 7.141 1.00 0.00 O ATOM 928 CB ASN A 63 -4.221 7.811 6.940 1.00 0.00 C ATOM 929 CG ASN A 63 -4.318 9.210 6.364 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.345 9.594 5.805 1.00 0.00 O ATOM 931 ND2 ASN A 63 -3.244 9.980 6.498 1.00 0.00 N ATOM 0 H ASN A 63 -6.642 7.582 7.561 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.112 6.962 5.178 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.439 7.845 8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.199 7.448 6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.249 10.931 6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.414 9.620 6.969 1.00 0.00 H new ATOM 938 N PHE A 64 -5.665 4.456 6.272 1.00 0.00 N ATOM 939 CA PHE A 64 -5.410 3.046 6.542 1.00 0.00 C ATOM 940 C PHE A 64 -6.490 2.168 5.916 1.00 0.00 C ATOM 941 O PHE A 64 -7.509 2.664 5.436 1.00 0.00 O ATOM 942 CB PHE A 64 -5.346 2.797 8.050 1.00 0.00 C ATOM 943 CG PHE A 64 -6.679 2.474 8.662 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.706 3.403 8.647 1.00 0.00 C ATOM 945 CD2 PHE A 64 -6.905 1.241 9.252 1.00 0.00 C ATOM 946 CE1 PHE A 64 -8.935 3.109 9.208 1.00 0.00 C ATOM 947 CE2 PHE A 64 -8.131 0.941 9.815 1.00 0.00 C ATOM 948 CZ PHE A 64 -9.147 1.877 9.794 1.00 0.00 C ATOM 0 H PHE A 64 -6.560 4.644 5.821 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.450 2.785 6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.657 1.975 8.245 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.935 3.680 8.539 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.545 4.369 8.192 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.114 0.506 9.272 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.728 3.842 9.188 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.295 -0.024 10.271 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.105 1.645 10.235 1.00 0.00 H new ATOM 958 N THR A 65 -6.258 0.859 5.924 1.00 0.00 N ATOM 959 CA THR A 65 -7.209 -0.089 5.356 1.00 0.00 C ATOM 960 C THR A 65 -6.998 -1.487 5.926 1.00 0.00 C ATOM 961 O THR A 65 -6.035 -1.733 6.651 1.00 0.00 O ATOM 962 CB THR A 65 -7.092 -0.150 3.821 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.200 -0.874 3.274 1.00 0.00 O ATOM 964 CG2 THR A 65 -5.789 -0.814 3.403 1.00 0.00 C ATOM 0 H THR A 65 -5.420 0.431 6.318 1.00 0.00 H new ATOM 0 HA THR A 65 -8.205 0.263 5.624 1.00 0.00 H new ATOM 0 HB THR A 65 -7.100 0.870 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.404 -0.532 2.379 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.729 -0.845 2.315 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.947 -0.244 3.796 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.755 -1.829 3.798 1.00 0.00 H new ATOM 972 N GLU A 66 -7.906 -2.400 5.593 1.00 0.00 N ATOM 973 CA GLU A 66 -7.818 -3.774 6.073 1.00 0.00 C ATOM 974 C GLU A 66 -7.982 -4.763 4.923 1.00 0.00 C ATOM 975 O GLU A 66 -9.095 -5.019 4.464 1.00 0.00 O ATOM 976 CB GLU A 66 -8.884 -4.034 7.140 1.00 0.00 C ATOM 977 CG GLU A 66 -8.415 -3.735 8.554 1.00 0.00 C ATOM 978 CD GLU A 66 -9.546 -3.290 9.461 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.638 -3.890 9.387 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.337 -2.341 10.246 1.00 0.00 O ATOM 0 H GLU A 66 -8.710 -2.213 4.994 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.831 -3.916 6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.761 -3.426 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.197 -5.077 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.947 -4.625 8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.652 -2.958 8.523 1.00 0.00 H new ATOM 987 N ILE A 67 -6.864 -5.316 4.463 1.00 0.00 N ATOM 988 CA ILE A 67 -6.884 -6.278 3.367 1.00 0.00 C ATOM 989 C ILE A 67 -7.216 -7.678 3.871 1.00 0.00 C ATOM 990 O ILE A 67 -6.360 -8.373 4.419 1.00 0.00 O ATOM 991 CB ILE A 67 -5.532 -6.317 2.629 1.00 0.00 C ATOM 992 CG1 ILE A 67 -5.170 -4.925 2.109 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.583 -7.319 1.486 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.680 -4.680 2.026 1.00 0.00 C ATOM 0 H ILE A 67 -5.934 -5.115 4.832 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.659 -5.951 2.673 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.760 -6.634 3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.608 -4.790 1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.618 -4.175 2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.621 -7.336 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.801 -8.311 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.364 -7.029 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.497 -3.674 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.239 -4.782 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.229 -5.407 1.351 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.465 -8.088 3.679 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.912 -9.408 4.111 1.00 0.00 C ATOM 1008 C LYS A 68 -8.798 -10.419 2.975 1.00 0.00 C ATOM 1009 O LYS A 68 -8.314 -10.097 1.890 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.359 -9.342 4.605 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.662 -8.109 5.439 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.814 -8.354 6.399 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.706 -7.474 7.635 1.00 0.00 C ATOM 1014 NZ LYS A 68 -13.022 -7.300 8.309 1.00 0.00 N ATOM 0 H LYS A 68 -9.186 -7.526 3.227 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.269 -9.733 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.029 -9.362 3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.573 -10.232 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.774 -7.822 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.906 -7.275 4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.759 -8.158 5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.824 -9.402 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.996 -7.915 8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.311 -6.498 7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.906 -6.694 9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.693 -6.855 7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.388 -8.229 8.602 1.00 0.00 H new ATOM 1028 N ASN A 69 -9.247 -11.644 3.231 1.00 0.00 N ATOM 1029 CA ASN A 69 -9.195 -12.702 2.229 1.00 0.00 C ATOM 1030 C ASN A 69 -7.752 -13.021 1.849 1.00 0.00 C ATOM 1031 O ASN A 69 -7.405 -13.068 0.668 1.00 0.00 O ATOM 1032 CB ASN A 69 -9.984 -12.293 0.984 1.00 0.00 C ATOM 1033 CG ASN A 69 -11.322 -11.668 1.327 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -12.038 -12.149 2.205 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.665 -10.588 0.633 1.00 0.00 N ATOM 0 H ASN A 69 -9.651 -11.928 4.124 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.645 -13.597 2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.395 -11.586 0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.146 -13.169 0.356 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.553 -10.123 0.819 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.040 -10.224 -0.086 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.915 -13.241 2.857 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.509 -13.557 2.630 1.00 0.00 C ATOM 1044 C LEU A 70 -5.165 -14.937 3.179 1.00 0.00 C ATOM 1045 O LEU A 70 -5.974 -15.563 3.865 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.617 -12.499 3.281 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.821 -11.061 2.803 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -3.984 -10.099 3.631 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.476 -10.936 1.326 1.00 0.00 C ATOM 0 H LEU A 70 -7.186 -13.206 3.840 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.332 -13.561 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.780 -12.529 4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.576 -12.774 3.108 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.871 -10.801 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.142 -9.081 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.279 -10.168 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.930 -10.357 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.627 -9.906 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.434 -11.216 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.120 -11.597 0.745 1.00 0.00 H new ATOM 1061 N LEU A 71 -3.960 -15.406 2.876 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.507 -16.712 3.341 1.00 0.00 C ATOM 1063 C LEU A 71 -2.534 -16.567 4.507 1.00 0.00 C ATOM 1064 O LEU A 71 -1.506 -15.900 4.392 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.841 -17.479 2.198 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.686 -17.677 0.939 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.806 -18.059 -0.240 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.754 -18.735 1.175 1.00 0.00 C ATOM 0 H LEU A 71 -3.278 -14.901 2.310 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.378 -17.270 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.927 -16.954 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.544 -18.460 2.570 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.182 -16.735 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.425 -18.196 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.079 -17.267 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.282 -18.988 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.346 -18.863 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.278 -19.681 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.404 -18.420 1.991 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.865 -17.198 5.629 1.00 0.00 N ATOM 1081 CA VAL A 72 -2.019 -17.143 6.815 1.00 0.00 C ATOM 1082 C VAL A 72 -0.596 -17.585 6.496 1.00 0.00 C ATOM 1083 O VAL A 72 -0.380 -18.465 5.664 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.579 -18.028 7.945 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -3.991 -17.598 8.311 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.547 -19.493 7.539 1.00 0.00 C ATOM 0 H VAL A 72 -3.713 -17.753 5.741 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.008 -16.105 7.148 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.949 -17.905 8.826 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.369 -18.235 9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.980 -16.561 8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.637 -17.689 7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.946 -20.104 8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.153 -19.636 6.644 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.519 -19.791 7.333 1.00 0.00 H new ATOM 1096 N ASN A 73 0.373 -16.968 7.165 1.00 0.00 N ATOM 1097 CA ASN A 73 1.778 -17.298 6.953 1.00 0.00 C ATOM 1098 C ASN A 73 2.160 -17.131 5.485 1.00 0.00 C ATOM 1099 O ASN A 73 2.782 -18.012 4.889 1.00 0.00 O ATOM 1100 CB ASN A 73 2.060 -18.732 7.405 1.00 0.00 C ATOM 1101 CG ASN A 73 2.466 -18.809 8.864 1.00 0.00 C ATOM 1102 OD1 ASN A 73 3.653 -18.806 9.191 1.00 0.00 O ATOM 1103 ND2 ASN A 73 1.479 -18.880 9.750 1.00 0.00 N ATOM 0 H ASN A 73 0.211 -16.237 7.858 1.00 0.00 H new ATOM 0 HA ASN A 73 2.381 -16.612 7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.171 -19.342 7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.852 -19.156 6.787 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.691 -18.935 10.746 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.509 -18.880 9.434 1.00 0.00 H new ATOM 1110 N THR A 74 1.785 -15.994 4.907 1.00 0.00 N ATOM 1111 CA THR A 74 2.088 -15.711 3.510 1.00 0.00 C ATOM 1112 C THR A 74 2.533 -14.265 3.326 1.00 0.00 C ATOM 1113 O THR A 74 1.943 -13.345 3.895 1.00 0.00 O ATOM 1114 CB THR A 74 0.870 -15.979 2.606 1.00 0.00 C ATOM 1115 OG1 THR A 74 0.479 -17.353 2.706 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.187 -15.642 1.157 1.00 0.00 C ATOM 0 H THR A 74 1.271 -15.254 5.385 1.00 0.00 H new ATOM 0 HA THR A 74 2.900 -16.378 3.221 1.00 0.00 H new ATOM 0 HB THR A 74 0.051 -15.343 2.940 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.308 -17.428 3.285 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.312 -15.839 0.538 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.457 -14.589 1.079 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.020 -16.256 0.814 1.00 0.00 H new ATOM 1124 N LEU A 75 3.578 -14.069 2.529 1.00 0.00 N ATOM 1125 CA LEU A 75 4.103 -12.733 2.269 1.00 0.00 C ATOM 1126 C LEU A 75 3.165 -11.947 1.359 1.00 0.00 C ATOM 1127 O LEU A 75 2.756 -12.432 0.304 1.00 0.00 O ATOM 1128 CB LEU A 75 5.491 -12.824 1.633 1.00 0.00 C ATOM 1129 CG LEU A 75 6.377 -11.586 1.774 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.688 -10.367 1.179 1.00 0.00 C ATOM 1131 CD2 LEU A 75 6.725 -11.342 3.236 1.00 0.00 C ATOM 0 H LEU A 75 4.079 -14.819 2.052 1.00 0.00 H new ATOM 0 HA LEU A 75 4.180 -12.208 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.015 -13.673 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.369 -13.040 0.572 1.00 0.00 H new ATOM 0 HG LEU A 75 7.302 -11.761 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.333 -9.495 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.489 -10.541 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.747 -10.190 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.356 -10.457 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.809 -11.188 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.259 -12.206 3.632 1.00 0.00 H new ATOM 1143 N TYR A 76 2.830 -10.730 1.773 1.00 0.00 N ATOM 1144 CA TYR A 76 1.940 -9.876 0.996 1.00 0.00 C ATOM 1145 C TYR A 76 2.511 -8.467 0.868 1.00 0.00 C ATOM 1146 O TYR A 76 2.890 -7.845 1.861 1.00 0.00 O ATOM 1147 CB TYR A 76 0.556 -9.821 1.645 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.384 -10.902 1.161 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -1.049 -10.779 -0.053 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -0.607 -12.046 1.918 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -1.909 -11.764 -0.499 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -1.464 -13.036 1.479 1.00 0.00 C ATOM 1153 CZ TYR A 76 -2.113 -12.891 0.270 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.968 -13.875 -0.170 1.00 0.00 O ATOM 0 H TYR A 76 3.162 -10.313 2.643 1.00 0.00 H new ATOM 0 HA TYR A 76 1.849 -10.303 -0.003 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.667 -9.906 2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.109 -8.847 1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.891 -9.899 -0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.102 -12.163 2.865 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.419 -11.652 -1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.625 -13.919 2.079 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.823 -14.692 0.352 1.00 0.00 H new ATOM 1164 N THR A 77 2.569 -7.969 -0.363 1.00 0.00 N ATOM 1165 CA THR A 77 3.093 -6.634 -0.623 1.00 0.00 C ATOM 1166 C THR A 77 1.966 -5.643 -0.893 1.00 0.00 C ATOM 1167 O THR A 77 1.208 -5.796 -1.850 1.00 0.00 O ATOM 1168 CB THR A 77 4.060 -6.634 -1.822 1.00 0.00 C ATOM 1169 OG1 THR A 77 5.065 -7.637 -1.641 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.718 -5.272 -1.987 1.00 0.00 C ATOM 0 H THR A 77 2.259 -8.470 -1.196 1.00 0.00 H new ATOM 0 HA THR A 77 3.635 -6.328 0.272 1.00 0.00 H new ATOM 0 HB THR A 77 3.487 -6.854 -2.723 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.675 -7.632 -2.408 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.396 -5.297 -2.840 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.951 -4.515 -2.155 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.278 -5.027 -1.085 1.00 0.00 H new ATOM 1178 N VAL A 78 1.862 -4.627 -0.043 1.00 0.00 N ATOM 1179 CA VAL A 78 0.828 -3.609 -0.191 1.00 0.00 C ATOM 1180 C VAL A 78 1.439 -2.246 -0.497 1.00 0.00 C ATOM 1181 O VAL A 78 2.583 -1.971 -0.135 1.00 0.00 O ATOM 1182 CB VAL A 78 -0.036 -3.499 1.079 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -1.287 -2.677 0.804 1.00 0.00 C ATOM 1184 CG2 VAL A 78 -0.401 -4.882 1.597 1.00 0.00 C ATOM 0 H VAL A 78 2.481 -4.486 0.755 1.00 0.00 H new ATOM 0 HA VAL A 78 0.197 -3.916 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 78 0.544 -2.989 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.885 -2.610 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.001 -1.675 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.872 -3.156 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.012 -4.785 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.962 -5.420 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.509 -5.433 1.835 1.00 0.00 H new ATOM 1194 N ARG A 79 0.667 -1.395 -1.166 1.00 0.00 N ATOM 1195 CA ARG A 79 1.132 -0.060 -1.522 1.00 0.00 C ATOM 1196 C ARG A 79 -0.019 0.941 -1.497 1.00 0.00 C ATOM 1197 O ARG A 79 -1.142 0.621 -1.887 1.00 0.00 O ATOM 1198 CB ARG A 79 1.780 -0.075 -2.907 1.00 0.00 C ATOM 1199 CG ARG A 79 0.883 -0.648 -3.993 1.00 0.00 C ATOM 1200 CD ARG A 79 1.554 -0.594 -5.356 1.00 0.00 C ATOM 1201 NE ARG A 79 0.838 -1.388 -6.351 1.00 0.00 N ATOM 1202 CZ ARG A 79 1.390 -1.830 -7.475 1.00 0.00 C ATOM 1203 NH1 ARG A 79 2.659 -1.556 -7.746 1.00 0.00 N ATOM 1204 NH2 ARG A 79 0.673 -2.547 -8.331 1.00 0.00 N ATOM 0 H ARG A 79 -0.283 -1.607 -1.472 1.00 0.00 H new ATOM 0 HA ARG A 79 1.874 0.248 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.060 0.943 -3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.700 -0.658 -2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.631 -1.681 -3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.053 -0.091 -4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.611 0.442 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.578 -0.958 -5.271 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.140 -1.616 -6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.213 -1.005 -7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.081 -1.897 -8.610 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.303 -2.759 -8.126 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.098 -2.886 -9.194 1.00 0.00 H new ATOM 1218 N VAL A 80 0.268 2.154 -1.035 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.742 3.202 -0.960 1.00 0.00 C ATOM 1220 C VAL A 80 -0.401 4.363 -1.888 1.00 0.00 C ATOM 1221 O VAL A 80 0.769 4.691 -2.084 1.00 0.00 O ATOM 1222 CB VAL A 80 -0.892 3.736 0.477 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.041 4.728 0.562 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.095 2.587 1.453 1.00 0.00 C ATOM 0 H VAL A 80 1.192 2.435 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.685 2.754 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 80 0.026 4.257 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.131 5.094 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.848 5.566 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.969 4.236 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.199 2.982 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.996 2.036 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.235 1.918 1.412 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.430 4.981 -2.457 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.240 6.107 -3.363 1.00 0.00 C ATOM 1236 C ALA A 81 -2.316 7.167 -3.155 1.00 0.00 C ATOM 1237 O ALA A 81 -3.499 6.849 -3.034 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.239 5.628 -4.807 1.00 0.00 C ATOM 0 H ALA A 81 -2.405 4.721 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.274 6.560 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.096 6.479 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.429 4.914 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.191 5.148 -5.032 1.00 0.00 H new ATOM 1244 N ALA A 82 -1.898 8.428 -3.115 1.00 0.00 N ATOM 1245 CA ALA A 82 -2.827 9.535 -2.923 1.00 0.00 C ATOM 1246 C ALA A 82 -3.540 9.885 -4.225 1.00 0.00 C ATOM 1247 O ALA A 82 -2.900 10.143 -5.244 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.094 10.751 -2.377 1.00 0.00 C ATOM 0 H ALA A 82 -0.922 8.708 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.580 9.224 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.800 11.570 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.637 10.501 -1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.319 11.055 -3.081 1.00 0.00 H new ATOM 1254 N VAL A 83 -4.868 9.891 -4.183 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.668 10.210 -5.360 1.00 0.00 C ATOM 1256 C VAL A 83 -6.100 11.672 -5.351 1.00 0.00 C ATOM 1257 O VAL A 83 -6.441 12.225 -4.304 1.00 0.00 O ATOM 1258 CB VAL A 83 -6.920 9.317 -5.446 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -8.011 10.004 -6.253 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.569 7.966 -6.051 1.00 0.00 C ATOM 0 H VAL A 83 -5.413 9.679 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.038 10.025 -6.230 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.297 9.151 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.888 9.358 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.280 10.945 -5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.648 10.202 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.465 7.347 -6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.167 8.110 -7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.823 7.471 -5.429 1.00 0.00 H new ATOM 1270 N THR A 84 -6.084 12.296 -6.525 1.00 0.00 N ATOM 1271 CA THR A 84 -6.474 13.694 -6.653 1.00 0.00 C ATOM 1272 C THR A 84 -7.550 13.870 -7.718 1.00 0.00 C ATOM 1273 O THR A 84 -7.911 12.920 -8.413 1.00 0.00 O ATOM 1274 CB THR A 84 -5.267 14.583 -7.008 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.680 14.145 -8.238 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.224 14.546 -5.901 1.00 0.00 C ATOM 0 H THR A 84 -5.805 11.854 -7.401 1.00 0.00 H new ATOM 0 HA THR A 84 -6.871 14.001 -5.685 1.00 0.00 H new ATOM 0 HB THR A 84 -5.620 15.608 -7.120 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.915 14.716 -8.457 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.381 15.181 -6.174 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.666 14.908 -4.973 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.877 13.522 -5.762 1.00 0.00 H new ATOM 1284 N SER A 85 -8.061 15.091 -7.841 1.00 0.00 N ATOM 1285 CA SER A 85 -9.099 15.391 -8.820 1.00 0.00 C ATOM 1286 C SER A 85 -8.826 14.674 -10.138 1.00 0.00 C ATOM 1287 O SER A 85 -9.716 14.047 -10.713 1.00 0.00 O ATOM 1288 CB SER A 85 -9.188 16.900 -9.055 1.00 0.00 C ATOM 1289 OG SER A 85 -7.954 17.416 -9.523 1.00 0.00 O ATOM 0 H SER A 85 -7.773 15.889 -7.274 1.00 0.00 H new ATOM 0 HA SER A 85 -10.051 15.036 -8.424 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.973 17.113 -9.780 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.467 17.400 -8.127 1.00 0.00 H new ATOM 0 HG SER A 85 -8.037 18.382 -9.667 1.00 0.00 H new ATOM 1295 N ARG A 86 -7.588 14.772 -10.612 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.196 14.135 -11.863 1.00 0.00 C ATOM 1297 C ARG A 86 -7.299 12.616 -11.756 1.00 0.00 C ATOM 1298 O ARG A 86 -8.178 11.999 -12.355 1.00 0.00 O ATOM 1299 CB ARG A 86 -5.768 14.535 -12.239 1.00 0.00 C ATOM 1300 CG ARG A 86 -5.299 13.949 -13.561 1.00 0.00 C ATOM 1301 CD ARG A 86 -3.849 14.307 -13.846 1.00 0.00 C ATOM 1302 NE ARG A 86 -3.251 13.420 -14.839 1.00 0.00 N ATOM 1303 CZ ARG A 86 -1.981 13.495 -15.222 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -1.180 14.411 -14.696 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -1.510 12.651 -16.132 1.00 0.00 N ATOM 0 H ARG A 86 -6.839 15.287 -10.148 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.878 14.474 -12.643 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.706 15.622 -12.291 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.090 14.214 -11.448 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.410 12.865 -13.539 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.931 14.318 -14.368 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.793 15.337 -14.199 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.274 14.255 -12.921 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.840 12.703 -15.262 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.538 15.060 -13.996 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.205 14.467 -14.992 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.123 11.944 -16.538 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.535 12.709 -16.425 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.392 12.020 -10.987 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.398 10.579 -10.815 1.00 0.00 C ATOM 1321 C GLY A 87 -5.346 10.108 -9.830 1.00 0.00 C ATOM 1322 O GLY A 87 -4.930 10.862 -8.949 1.00 0.00 O ATOM 0 H GLY A 87 -5.654 12.509 -10.481 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.382 10.261 -10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.228 10.100 -11.779 1.00 0.00 H new ATOM 1326 N ILE A 88 -4.916 8.860 -9.977 1.00 0.00 N ATOM 1327 CA ILE A 88 -3.907 8.290 -9.093 1.00 0.00 C ATOM 1328 C ILE A 88 -2.514 8.796 -9.451 1.00 0.00 C ATOM 1329 O ILE A 88 -2.197 8.995 -10.622 1.00 0.00 O ATOM 1330 CB ILE A 88 -3.913 6.751 -9.149 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.277 6.208 -8.718 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -2.809 6.185 -8.269 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.494 4.757 -9.086 1.00 0.00 C ATOM 0 H ILE A 88 -5.251 8.224 -10.700 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.158 8.609 -8.081 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.728 6.439 -10.177 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.379 6.320 -7.639 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.060 6.812 -9.176 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.826 5.096 -8.319 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.843 6.549 -8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.966 6.503 -7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.481 4.440 -8.750 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.425 4.642 -10.168 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.733 4.142 -8.606 1.00 0.00 H new ATOM 1345 N GLY A 89 -1.684 8.999 -8.432 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.333 9.478 -8.660 1.00 0.00 C ATOM 1347 C GLY A 89 0.713 8.420 -8.371 1.00 0.00 C ATOM 1348 O GLY A 89 0.485 7.234 -8.600 1.00 0.00 O ATOM 0 H GLY A 89 -1.923 8.840 -7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.237 9.806 -9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.148 10.349 -8.031 1.00 0.00 H new ATOM 1352 N ASN A 90 1.865 8.852 -7.867 1.00 0.00 N ATOM 1353 CA ASN A 90 2.952 7.933 -7.548 1.00 0.00 C ATOM 1354 C ASN A 90 2.532 6.952 -6.458 1.00 0.00 C ATOM 1355 O ASN A 90 1.597 7.212 -5.701 1.00 0.00 O ATOM 1356 CB ASN A 90 4.191 8.711 -7.101 1.00 0.00 C ATOM 1357 CG ASN A 90 4.852 9.454 -8.246 1.00 0.00 C ATOM 1358 OD1 ASN A 90 4.961 8.934 -9.357 1.00 0.00 O ATOM 1359 ND2 ASN A 90 5.297 10.676 -7.979 1.00 0.00 N ATOM 0 H ASN A 90 2.070 9.832 -7.671 1.00 0.00 H new ATOM 0 HA ASN A 90 3.192 7.367 -8.448 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.909 9.422 -6.325 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.909 8.022 -6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.751 11.224 -8.709 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.185 11.067 -7.043 1.00 0.00 H new ATOM 1366 N TRP A 91 3.231 5.825 -6.384 1.00 0.00 N ATOM 1367 CA TRP A 91 2.932 4.804 -5.385 1.00 0.00 C ATOM 1368 C TRP A 91 3.922 4.869 -4.228 1.00 0.00 C ATOM 1369 O TRP A 91 5.132 4.948 -4.437 1.00 0.00 O ATOM 1370 CB TRP A 91 2.962 3.414 -6.022 1.00 0.00 C ATOM 1371 CG TRP A 91 1.780 3.137 -6.900 1.00 0.00 C ATOM 1372 CD1 TRP A 91 1.730 3.231 -8.262 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.477 2.721 -6.477 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.474 2.900 -8.710 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.313 2.582 -7.635 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.099 2.451 -5.233 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.647 2.187 -7.583 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.423 2.059 -5.183 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.185 1.929 -6.352 1.00 0.00 C ATOM 0 H TRP A 91 4.008 5.595 -7.003 1.00 0.00 H new ATOM 0 HA TRP A 91 1.933 4.995 -4.994 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.874 3.311 -6.610 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.004 2.662 -5.234 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.556 3.523 -8.894 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.176 2.892 -9.685 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.480 2.547 -4.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.236 2.088 -8.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -1.879 1.849 -4.227 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.217 1.619 -6.280 1.00 0.00 H new ATOM 1390 N SER A 92 3.400 4.833 -3.006 1.00 0.00 N ATOM 1391 CA SER A 92 4.239 4.891 -1.814 1.00 0.00 C ATOM 1392 C SER A 92 5.238 3.739 -1.797 1.00 0.00 C ATOM 1393 O SER A 92 5.167 2.828 -2.623 1.00 0.00 O ATOM 1394 CB SER A 92 3.373 4.850 -0.553 1.00 0.00 C ATOM 1395 OG SER A 92 2.663 3.627 -0.462 1.00 0.00 O ATOM 0 H SER A 92 2.400 4.764 -2.815 1.00 0.00 H new ATOM 0 HA SER A 92 4.794 5.829 -1.835 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.002 4.975 0.328 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.670 5.683 -0.564 1.00 0.00 H new ATOM 0 HG SER A 92 2.246 3.556 0.422 1.00 0.00 H new ATOM 1401 N ASP A 93 6.170 3.786 -0.851 1.00 0.00 N ATOM 1402 CA ASP A 93 7.184 2.747 -0.724 1.00 0.00 C ATOM 1403 C ASP A 93 6.559 1.429 -0.279 1.00 0.00 C ATOM 1404 O ASP A 93 6.522 1.119 0.912 1.00 0.00 O ATOM 1405 CB ASP A 93 8.263 3.176 0.271 1.00 0.00 C ATOM 1406 CG ASP A 93 8.996 4.426 -0.173 1.00 0.00 C ATOM 1407 OD1 ASP A 93 8.355 5.495 -0.247 1.00 0.00 O ATOM 1408 OD2 ASP A 93 10.211 4.336 -0.448 1.00 0.00 O ATOM 0 H ASP A 93 6.244 4.533 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 93 7.641 2.599 -1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.806 3.353 1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.979 2.364 0.398 1.00 0.00 H new ATOM 1413 N SER A 94 6.067 0.657 -1.243 1.00 0.00 N ATOM 1414 CA SER A 94 5.438 -0.626 -0.949 1.00 0.00 C ATOM 1415 C SER A 94 6.128 -1.313 0.225 1.00 0.00 C ATOM 1416 O SER A 94 7.320 -1.116 0.463 1.00 0.00 O ATOM 1417 CB SER A 94 5.481 -1.532 -2.181 1.00 0.00 C ATOM 1418 OG SER A 94 6.816 -1.821 -2.556 1.00 0.00 O ATOM 0 H SER A 94 6.092 0.897 -2.234 1.00 0.00 H new ATOM 0 HA SER A 94 4.399 -0.440 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.950 -2.461 -1.972 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.964 -1.049 -3.010 1.00 0.00 H new ATOM 0 HG SER A 94 6.816 -2.403 -3.345 1.00 0.00 H new ATOM 1424 N LYS A 95 5.370 -2.121 0.958 1.00 0.00 N ATOM 1425 CA LYS A 95 5.906 -2.839 2.108 1.00 0.00 C ATOM 1426 C LYS A 95 5.412 -4.283 2.126 1.00 0.00 C ATOM 1427 O LYS A 95 4.283 -4.567 1.727 1.00 0.00 O ATOM 1428 CB LYS A 95 5.505 -2.136 3.407 1.00 0.00 C ATOM 1429 CG LYS A 95 6.301 -0.873 3.685 1.00 0.00 C ATOM 1430 CD LYS A 95 7.674 -1.192 4.252 1.00 0.00 C ATOM 1431 CE LYS A 95 8.671 -0.081 3.958 1.00 0.00 C ATOM 1432 NZ LYS A 95 10.041 -0.427 4.427 1.00 0.00 N ATOM 0 H LYS A 95 4.382 -2.295 0.776 1.00 0.00 H new ATOM 0 HA LYS A 95 6.993 -2.846 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.445 -1.885 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.634 -2.828 4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.411 -0.301 2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.754 -0.244 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.599 -1.339 5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.036 -2.128 3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.693 0.113 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.343 0.839 4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.691 0.355 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.026 -0.588 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.365 -1.291 3.946 1.00 0.00 H new ATOM 1446 N SER A 96 6.265 -5.189 2.593 1.00 0.00 N ATOM 1447 CA SER A 96 5.915 -6.603 2.660 1.00 0.00 C ATOM 1448 C SER A 96 5.619 -7.022 4.097 1.00 0.00 C ATOM 1449 O SER A 96 6.138 -6.433 5.046 1.00 0.00 O ATOM 1450 CB SER A 96 7.050 -7.458 2.092 1.00 0.00 C ATOM 1451 OG SER A 96 8.308 -6.842 2.303 1.00 0.00 O ATOM 0 H SER A 96 7.202 -4.970 2.930 1.00 0.00 H new ATOM 0 HA SER A 96 5.017 -6.758 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.040 -8.441 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.893 -7.614 1.025 1.00 0.00 H new ATOM 0 HG SER A 96 9.016 -7.409 1.933 1.00 0.00 H new ATOM 1457 N ILE A 97 4.781 -8.042 4.249 1.00 0.00 N ATOM 1458 CA ILE A 97 4.416 -8.540 5.569 1.00 0.00 C ATOM 1459 C ILE A 97 3.955 -9.992 5.501 1.00 0.00 C ATOM 1460 O ILE A 97 3.158 -10.362 4.638 1.00 0.00 O ATOM 1461 CB ILE A 97 3.301 -7.688 6.204 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.193 -7.983 7.701 1.00 0.00 C ATOM 1463 CG2 ILE A 97 1.973 -7.951 5.509 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.558 -6.862 8.494 1.00 0.00 C ATOM 0 H ILE A 97 4.342 -8.540 3.474 1.00 0.00 H new ATOM 0 HA ILE A 97 5.310 -8.474 6.189 1.00 0.00 H new ATOM 0 HB ILE A 97 3.552 -6.635 6.078 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.610 -8.893 7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.189 -8.178 8.097 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.195 -7.342 5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.058 -7.695 4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.714 -9.005 5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.514 -7.141 9.547 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.153 -5.955 8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.549 -6.681 8.124 1.00 0.00 H new ATOM 1476 N THR A 98 4.459 -10.811 6.418 1.00 0.00 N ATOM 1477 CA THR A 98 4.099 -12.223 6.463 1.00 0.00 C ATOM 1478 C THR A 98 2.969 -12.470 7.455 1.00 0.00 C ATOM 1479 O THR A 98 3.190 -12.518 8.666 1.00 0.00 O ATOM 1480 CB THR A 98 5.306 -13.099 6.848 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.375 -12.897 5.916 1.00 0.00 O ATOM 1482 CG2 THR A 98 4.920 -14.570 6.875 1.00 0.00 C ATOM 0 H THR A 98 5.118 -10.521 7.140 1.00 0.00 H new ATOM 0 HA THR A 98 3.766 -12.497 5.462 1.00 0.00 H new ATOM 0 HB THR A 98 5.635 -12.808 7.846 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.139 -13.456 6.169 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.788 -15.169 7.149 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.127 -14.725 7.606 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.568 -14.872 5.889 1.00 0.00 H new ATOM 1490 N THR A 99 1.755 -12.628 6.935 1.00 0.00 N ATOM 1491 CA THR A 99 0.589 -12.870 7.776 1.00 0.00 C ATOM 1492 C THR A 99 0.872 -13.955 8.809 1.00 0.00 C ATOM 1493 O THR A 99 1.912 -14.613 8.762 1.00 0.00 O ATOM 1494 CB THR A 99 -0.633 -13.284 6.935 1.00 0.00 C ATOM 1495 OG1 THR A 99 -0.339 -14.475 6.196 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.032 -12.172 5.976 1.00 0.00 C ATOM 0 H THR A 99 1.554 -12.593 5.936 1.00 0.00 H new ATOM 0 HA THR A 99 0.368 -11.933 8.288 1.00 0.00 H new ATOM 0 HB THR A 99 -1.465 -13.474 7.613 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.020 -14.607 5.504 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.897 -12.487 5.393 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.284 -11.276 6.543 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.201 -11.955 5.304 1.00 0.00 H new ATOM 1504 N ILE A 100 -0.059 -14.137 9.739 1.00 0.00 N ATOM 1505 CA ILE A 100 0.091 -15.144 10.782 1.00 0.00 C ATOM 1506 C ILE A 100 -1.169 -15.993 10.912 1.00 0.00 C ATOM 1507 O ILE A 100 -2.284 -15.502 10.727 1.00 0.00 O ATOM 1508 CB ILE A 100 0.405 -14.500 12.146 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -0.751 -13.599 12.587 1.00 0.00 C ATOM 1510 CG2 ILE A 100 1.702 -13.709 12.072 1.00 0.00 C ATOM 1511 CD1 ILE A 100 -0.738 -13.280 14.065 1.00 0.00 C ATOM 0 H ILE A 100 -0.925 -13.601 9.792 1.00 0.00 H new ATOM 0 HA ILE A 100 0.926 -15.780 10.488 1.00 0.00 H new ATOM 0 HB ILE A 100 0.527 -15.291 12.886 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.711 -12.668 12.022 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.695 -14.084 12.336 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.910 -13.260 13.043 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.520 -14.376 11.798 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.607 -12.924 11.322 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.585 -12.638 14.306 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.809 -14.205 14.637 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.190 -12.767 14.318 1.00 0.00 H new ATOM 1523 N LYS A 101 -0.986 -17.269 11.232 1.00 0.00 N ATOM 1524 CA LYS A 101 -2.107 -18.188 11.390 1.00 0.00 C ATOM 1525 C LYS A 101 -2.658 -18.134 12.811 1.00 0.00 C ATOM 1526 O LYS A 101 -2.583 -19.112 13.553 1.00 0.00 O ATOM 1527 CB LYS A 101 -1.675 -19.616 11.052 1.00 0.00 C ATOM 1528 CG LYS A 101 -2.831 -20.596 10.956 1.00 0.00 C ATOM 1529 CD LYS A 101 -2.427 -21.984 11.422 1.00 0.00 C ATOM 1530 CE LYS A 101 -1.670 -22.737 10.338 1.00 0.00 C ATOM 1531 NZ LYS A 101 -0.243 -22.316 10.263 1.00 0.00 N ATOM 0 H LYS A 101 -0.071 -17.691 11.387 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.895 -17.882 10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.137 -19.609 10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.977 -19.965 11.813 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.664 -20.237 11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.182 -20.645 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.804 -21.903 12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.316 -22.547 11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.723 -23.808 10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.150 -22.566 9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.330 -23.098 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.157 -21.491 9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.095 -22.064 11.214 1.00 0.00 H new