USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 689 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 30 SER OG : rot 67:sc= 0.678 USER MOD Set 1.2: A 80 ASN : amide:sc= 0.887 X(o=1.6,f=1.6) USER MOD Set 2.1: A 69 TYR OH : rot -175:sc= 0.733 USER MOD Set 2.2: A 75 THR OG1 : rot 40:sc= 1.74 USER MOD Set 3.1: A 22 HIS :FLIP no HD1:sc= -0.415 F(o=-3!,f=-0.085) USER MOD Set 3.2: A 59 SER OG : rot 143:sc= 0.33 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.18) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 167:sc=-0.00752 (180deg=-0.136) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= 1.27 (180deg=0.0347) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.577 F(o=-2.8!,f=-0.58) USER MOD Single : A 62 GLN : amide:sc= -0.247! C(o=-0.25!,f=-12!) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= -1.37! (180deg=-1.48!) USER MOD Single : A 73 GLN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 76 ASN : amide:sc= -1.02! X(o=-1!,f=-0.66) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.9 K(o=-0.9,f=-1.5!) USER MOD Single : A 88 THR OG1 : rot -78:sc= -0.0723 USER MOD Single : A 93 ASN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 96 SER OG : rot -57:sc= 0.559 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 2.540 -11.291 -2.122 1.00 0.00 N ATOM 2 CA GLY A 15 3.618 -12.126 -2.670 1.00 0.00 C ATOM 3 C GLY A 15 4.911 -11.371 -2.655 1.00 0.00 C ATOM 4 O GLY A 15 5.612 -11.272 -3.660 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.715 -13.040 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.374 -12.425 -3.689 1.00 0.00 H new ATOM 8 N LEU A 16 5.241 -10.848 -1.507 1.00 0.00 N ATOM 9 CA LEU A 16 6.378 -10.032 -1.356 1.00 0.00 C ATOM 10 C LEU A 16 6.932 -10.091 0.035 1.00 0.00 C ATOM 11 O LEU A 16 6.361 -10.718 0.919 1.00 0.00 O ATOM 12 CB LEU A 16 6.151 -8.575 -1.815 1.00 0.00 C ATOM 13 CG LEU A 16 4.853 -7.822 -1.495 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.377 -8.040 -0.089 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.115 -6.350 -1.697 1.00 0.00 C ATOM 0 H LEU A 16 4.710 -10.988 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 16 7.129 -10.448 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.969 -7.983 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.263 -8.564 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 16 4.073 -8.199 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.456 -7.481 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.190 -9.102 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.139 -7.696 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.209 -5.786 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.914 -6.028 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.411 -6.172 -2.731 1.00 0.00 H new ATOM 27 N ARG A 17 8.020 -9.409 0.230 1.00 0.00 N ATOM 28 CA ARG A 17 8.690 -9.420 1.488 1.00 0.00 C ATOM 29 C ARG A 17 8.170 -8.333 2.378 1.00 0.00 C ATOM 30 O ARG A 17 8.281 -8.456 3.606 1.00 0.00 O ATOM 31 CB ARG A 17 10.199 -9.310 1.320 1.00 0.00 C ATOM 32 CG ARG A 17 10.771 -10.409 0.465 1.00 0.00 C ATOM 33 CD ARG A 17 12.279 -10.347 0.400 1.00 0.00 C ATOM 34 NE ARG A 17 12.847 -11.380 -0.483 1.00 0.00 N ATOM 35 CZ ARG A 17 13.045 -12.667 -0.163 1.00 0.00 C ATOM 36 NH1 ARG A 17 12.498 -13.184 0.933 1.00 0.00 N ATOM 37 NH2 ARG A 17 13.738 -13.437 -0.980 1.00 0.00 N ATOM 0 H ARG A 17 8.466 -8.830 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 17 8.483 -10.379 1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.441 -8.345 0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.672 -9.335 2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.465 -11.376 0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.361 -10.336 -0.542 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.584 -9.362 0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.688 -10.466 1.403 1.00 0.00 H new ATOM 0 HE ARG A 17 13.114 -11.090 -1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.922 -12.600 1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.655 -14.164 1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.117 -13.052 -1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.895 -14.417 -0.747 1.00 0.00 H new ATOM 51 N GLU A 18 7.608 -7.251 1.785 1.00 0.00 N ATOM 52 CA GLU A 18 7.007 -6.182 2.644 1.00 0.00 C ATOM 53 C GLU A 18 6.216 -5.119 1.919 1.00 0.00 C ATOM 54 O GLU A 18 6.525 -4.785 0.770 1.00 0.00 O ATOM 55 CB GLU A 18 8.053 -5.470 3.512 1.00 0.00 C ATOM 56 CG GLU A 18 9.209 -4.828 2.782 1.00 0.00 C ATOM 57 CD GLU A 18 10.241 -4.309 3.730 1.00 0.00 C ATOM 58 OE1 GLU A 18 10.978 -5.129 4.338 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.366 -3.092 3.873 1.00 0.00 O ATOM 0 H GLU A 18 7.554 -7.092 0.779 1.00 0.00 H new ATOM 0 HA GLU A 18 6.306 -6.751 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.547 -4.700 4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.456 -6.192 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.665 -5.556 2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.840 -4.011 2.163 1.00 0.00 H new ATOM 66 N ILE A 19 5.175 -4.602 2.606 1.00 0.00 N ATOM 67 CA ILE A 19 4.484 -3.394 2.185 1.00 0.00 C ATOM 68 C ILE A 19 4.498 -2.401 3.318 1.00 0.00 C ATOM 69 O ILE A 19 4.070 -2.693 4.434 1.00 0.00 O ATOM 70 CB ILE A 19 3.024 -3.650 1.709 1.00 0.00 C ATOM 71 CG1 ILE A 19 2.984 -4.112 0.261 1.00 0.00 C ATOM 72 CG2 ILE A 19 2.086 -2.447 1.929 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.318 -3.031 -0.741 1.00 0.00 C ATOM 0 H ILE A 19 4.802 -5.017 3.460 1.00 0.00 H new ATOM 0 HA ILE A 19 5.017 -2.999 1.320 1.00 0.00 H new ATOM 0 HB ILE A 19 2.644 -4.453 2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.684 -4.938 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.989 -4.501 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.086 -2.696 1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.045 -2.207 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.463 -1.586 1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.267 -3.441 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.604 -2.213 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.324 -2.658 -0.551 1.00 0.00 H new ATOM 85 N ARG A 20 5.012 -1.268 3.046 1.00 0.00 N ATOM 86 CA ARG A 20 5.031 -0.206 3.989 1.00 0.00 C ATOM 87 C ARG A 20 4.258 0.937 3.402 1.00 0.00 C ATOM 88 O ARG A 20 4.740 1.621 2.491 1.00 0.00 O ATOM 89 CB ARG A 20 6.457 0.266 4.299 1.00 0.00 C ATOM 90 CG ARG A 20 7.388 -0.763 4.927 1.00 0.00 C ATOM 91 CD ARG A 20 8.745 -0.127 5.190 1.00 0.00 C ATOM 92 NE ARG A 20 9.723 -1.055 5.754 1.00 0.00 N ATOM 93 CZ ARG A 20 10.774 -0.696 6.512 1.00 0.00 C ATOM 94 NH1 ARG A 20 11.017 0.590 6.760 1.00 0.00 N ATOM 95 NH2 ARG A 20 11.579 -1.625 7.006 1.00 0.00 N ATOM 0 H ARG A 20 5.441 -1.040 2.149 1.00 0.00 H new ATOM 0 HA ARG A 20 4.592 -0.559 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.910 0.616 3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.395 1.124 4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.962 -1.134 5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.499 -1.621 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.135 0.277 4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.618 0.714 5.872 1.00 0.00 H new ATOM 0 HE ARG A 20 9.599 -2.048 5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.404 1.308 6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.816 0.856 7.336 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.401 -2.610 6.811 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.377 -1.355 7.581 1.00 0.00 H new ATOM 109 N ILE A 21 3.070 1.141 3.870 1.00 0.00 N ATOM 110 CA ILE A 21 2.293 2.237 3.391 1.00 0.00 C ATOM 111 C ILE A 21 2.855 3.413 4.065 1.00 0.00 C ATOM 112 O ILE A 21 3.066 3.387 5.254 1.00 0.00 O ATOM 113 CB ILE A 21 0.855 2.271 3.885 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.302 0.920 4.286 1.00 0.00 C ATOM 115 CG2 ILE A 21 -0.044 2.951 2.847 1.00 0.00 C ATOM 116 CD1 ILE A 21 -0.951 1.052 5.108 1.00 0.00 C ATOM 0 H ILE A 21 2.618 0.566 4.581 1.00 0.00 H new ATOM 0 HA ILE A 21 2.310 2.183 2.302 1.00 0.00 H new ATOM 0 HB ILE A 21 0.863 2.858 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.090 0.334 3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.054 0.373 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.071 2.970 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.300 3.972 2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.002 2.396 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.317 0.061 5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.733 1.616 6.015 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.712 1.575 4.529 1.00 0.00 H new ATOM 128 N HIS A 22 3.111 4.388 3.368 1.00 0.00 N ATOM 129 CA HIS A 22 3.474 5.591 3.973 1.00 0.00 C ATOM 130 C HIS A 22 2.178 6.341 4.088 1.00 0.00 C ATOM 131 O HIS A 22 1.567 6.668 3.077 1.00 0.00 O ATOM 132 CB HIS A 22 4.520 6.323 3.116 1.00 0.00 C ATOM 133 CG HIS A 22 5.838 5.583 3.012 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.520 4.898 3.948 1.00 0.00 N flip ATOM 135 CD2 HIS A 22 6.621 5.528 1.874 1.00 0.00 C flip ATOM 136 CE1 HIS A 22 7.675 4.449 3.390 1.00 0.00 C flip ATOM 137 NE2 HIS A 22 7.712 4.834 2.139 1.00 0.00 N flip ATOM 0 H HIS A 22 3.082 4.402 2.349 1.00 0.00 H new ATOM 0 HA HIS A 22 3.946 5.471 4.948 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.117 6.474 2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 22 4.699 7.311 3.540 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.379 5.979 0.923 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.435 3.871 3.894 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.461 4.631 1.478 1.00 0.00 H new ATOM 146 N LEU A 23 1.784 6.630 5.289 1.00 0.00 N ATOM 147 CA LEU A 23 0.493 7.172 5.557 1.00 0.00 C ATOM 148 C LEU A 23 0.598 8.382 6.427 1.00 0.00 C ATOM 149 O LEU A 23 1.307 8.380 7.431 1.00 0.00 O ATOM 150 CB LEU A 23 -0.380 6.121 6.262 1.00 0.00 C ATOM 151 CG LEU A 23 -1.771 6.590 6.707 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.632 6.986 5.513 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.451 5.520 7.540 1.00 0.00 C ATOM 0 H LEU A 23 2.359 6.493 6.120 1.00 0.00 H new ATOM 0 HA LEU A 23 0.039 7.455 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.503 5.271 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.158 5.760 7.139 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.645 7.478 7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.611 7.313 5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.150 7.799 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.752 6.129 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.437 5.870 7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.557 4.611 6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.849 5.310 8.424 1.00 0.00 H new ATOM 165 N CYS A 24 -0.091 9.400 6.040 1.00 0.00 N ATOM 166 CA CYS A 24 -0.158 10.613 6.783 1.00 0.00 C ATOM 167 C CYS A 24 -1.482 11.245 6.468 1.00 0.00 C ATOM 168 O CYS A 24 -2.229 10.745 5.602 1.00 0.00 O ATOM 169 CB CYS A 24 0.942 11.598 6.355 1.00 0.00 C ATOM 170 SG CYS A 24 2.636 10.957 6.321 1.00 0.00 S ATOM 0 H CYS A 24 -0.636 9.413 5.178 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.032 10.393 7.843 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.698 11.969 5.360 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.915 12.453 7.030 1.00 0.00 H new ATOM 175 N GLN A 25 -1.780 12.307 7.139 1.00 0.00 N ATOM 176 CA GLN A 25 -2.924 13.122 6.827 1.00 0.00 C ATOM 177 C GLN A 25 -2.400 14.549 6.898 1.00 0.00 C ATOM 178 O GLN A 25 -3.058 15.464 7.374 1.00 0.00 O ATOM 179 CB GLN A 25 -4.044 12.882 7.854 1.00 0.00 C ATOM 180 CG GLN A 25 -5.449 12.885 7.245 1.00 0.00 C ATOM 181 CD GLN A 25 -5.797 14.165 6.512 1.00 0.00 C ATOM 182 OE1 GLN A 25 -5.524 14.300 5.317 1.00 0.00 O ATOM 183 NE2 GLN A 25 -6.424 15.082 7.186 1.00 0.00 N ATOM 0 H GLN A 25 -1.234 12.644 7.931 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.355 12.896 5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.874 11.925 8.347 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.990 13.652 8.624 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.537 12.047 6.554 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.179 12.722 8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.633 14.936 8.174 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.707 15.948 6.728 1.00 0.00 H new ATOM 192 N ARG A 26 -1.204 14.701 6.389 1.00 0.00 N ATOM 193 CA ARG A 26 -0.455 15.924 6.488 1.00 0.00 C ATOM 194 C ARG A 26 -0.606 16.710 5.180 1.00 0.00 C ATOM 195 O ARG A 26 -1.073 17.845 5.183 1.00 0.00 O ATOM 196 CB ARG A 26 1.031 15.562 6.759 1.00 0.00 C ATOM 197 CG ARG A 26 1.926 16.648 7.400 1.00 0.00 C ATOM 198 CD ARG A 26 2.106 17.891 6.543 1.00 0.00 C ATOM 199 NE ARG A 26 3.093 18.829 7.113 1.00 0.00 N ATOM 200 CZ ARG A 26 3.175 20.133 6.790 1.00 0.00 C ATOM 201 NH1 ARG A 26 2.136 20.742 6.230 1.00 0.00 N ATOM 202 NH2 ARG A 26 4.246 20.843 7.119 1.00 0.00 N ATOM 0 H ARG A 26 -0.715 13.962 5.884 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.823 16.547 7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.051 14.685 7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.484 15.269 5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.495 16.940 8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.906 16.219 7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.424 17.597 5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.147 18.398 6.436 1.00 0.00 H new ATOM 0 HE ARG A 26 3.757 18.465 7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.278 20.222 6.046 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.196 21.730 5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.016 20.401 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.299 21.831 6.870 1.00 0.00 H new ATOM 216 N SER A 27 -0.251 16.099 4.071 1.00 0.00 N ATOM 217 CA SER A 27 -0.278 16.789 2.800 1.00 0.00 C ATOM 218 C SER A 27 -1.550 16.370 2.006 1.00 0.00 C ATOM 219 O SER A 27 -2.406 15.702 2.606 1.00 0.00 O ATOM 220 CB SER A 27 1.026 16.443 2.078 1.00 0.00 C ATOM 221 OG SER A 27 2.149 16.847 2.863 1.00 0.00 O ATOM 0 H SER A 27 0.059 15.128 4.023 1.00 0.00 H new ATOM 0 HA SER A 27 -0.338 17.871 2.915 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.072 15.370 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.055 16.938 1.107 1.00 0.00 H new ATOM 0 HG SER A 27 2.977 16.619 2.391 1.00 0.00 H new ATOM 227 N PRO A 28 -1.729 16.824 0.692 1.00 0.00 N ATOM 228 CA PRO A 28 -2.823 16.421 -0.213 1.00 0.00 C ATOM 229 C PRO A 28 -3.505 15.083 0.127 1.00 0.00 C ATOM 230 O PRO A 28 -2.942 13.992 -0.097 1.00 0.00 O ATOM 231 CB PRO A 28 -2.067 16.362 -1.538 1.00 0.00 C ATOM 232 CG PRO A 28 -1.218 17.588 -1.487 1.00 0.00 C ATOM 233 CD PRO A 28 -0.901 17.834 -0.016 1.00 0.00 C ATOM 0 HA PRO A 28 -3.674 17.101 -0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.466 15.457 -1.621 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.745 16.374 -2.392 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.303 17.451 -2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.742 18.441 -1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.160 17.701 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.161 18.849 0.286 1.00 0.00 H new ATOM 241 N GLY A 29 -4.710 15.202 0.690 1.00 0.00 N ATOM 242 CA GLY A 29 -5.471 14.071 1.168 1.00 0.00 C ATOM 243 C GLY A 29 -5.648 12.995 0.144 1.00 0.00 C ATOM 244 O GLY A 29 -5.951 13.271 -1.021 1.00 0.00 O ATOM 0 H GLY A 29 -5.179 16.098 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.973 13.651 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.452 14.415 1.495 1.00 0.00 H new ATOM 248 N SER A 30 -5.445 11.784 0.555 1.00 0.00 N ATOM 249 CA SER A 30 -5.540 10.675 -0.318 1.00 0.00 C ATOM 250 C SER A 30 -6.651 9.734 0.136 1.00 0.00 C ATOM 251 O SER A 30 -6.601 9.128 1.219 1.00 0.00 O ATOM 252 CB SER A 30 -4.196 9.997 -0.413 1.00 0.00 C ATOM 253 OG SER A 30 -3.198 10.935 -0.822 1.00 0.00 O ATOM 0 H SER A 30 -5.207 11.543 1.517 1.00 0.00 H new ATOM 0 HA SER A 30 -5.810 11.007 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.928 9.568 0.552 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.245 9.174 -1.125 1.00 0.00 H new ATOM 0 HG SER A 30 -3.066 11.602 -0.116 1.00 0.00 H new ATOM 259 N GLN A 31 -7.596 9.565 -0.731 1.00 0.00 N ATOM 260 CA GLN A 31 -8.830 8.883 -0.436 1.00 0.00 C ATOM 261 C GLN A 31 -8.690 7.452 -0.778 1.00 0.00 C ATOM 262 O GLN A 31 -9.292 6.593 -0.140 1.00 0.00 O ATOM 263 CB GLN A 31 -10.022 9.498 -1.188 1.00 0.00 C ATOM 264 CG GLN A 31 -9.888 9.490 -2.712 1.00 0.00 C ATOM 265 CD GLN A 31 -11.152 9.912 -3.435 1.00 0.00 C ATOM 266 OE1 GLN A 31 -11.952 10.697 -2.924 1.00 0.00 O ATOM 267 NE2 GLN A 31 -11.327 9.415 -4.632 1.00 0.00 N ATOM 0 H GLN A 31 -7.537 9.904 -1.691 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.033 8.992 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.927 8.955 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.154 10.527 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.075 10.156 -3.000 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.610 8.488 -3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.641 8.767 -5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.149 9.675 -5.177 1.00 0.00 H new ATOM 276 N GLY A 32 -7.857 7.197 -1.772 1.00 0.00 N ATOM 277 CA GLY A 32 -7.571 5.875 -2.159 1.00 0.00 C ATOM 278 C GLY A 32 -6.901 5.198 -1.041 1.00 0.00 C ATOM 279 O GLY A 32 -7.262 4.068 -0.677 1.00 0.00 O ATOM 0 H GLY A 32 -7.375 7.913 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.489 5.351 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.933 5.868 -3.043 1.00 0.00 H new ATOM 283 N VAL A 33 -5.990 5.932 -0.391 1.00 0.00 N ATOM 284 CA VAL A 33 -5.325 5.317 0.728 1.00 0.00 C ATOM 285 C VAL A 33 -6.249 5.222 1.890 1.00 0.00 C ATOM 286 O VAL A 33 -6.441 4.175 2.357 1.00 0.00 O ATOM 287 CB VAL A 33 -3.917 5.854 1.138 1.00 0.00 C ATOM 288 CG1 VAL A 33 -2.916 5.619 0.046 1.00 0.00 C ATOM 289 CG2 VAL A 33 -3.927 7.306 1.565 1.00 0.00 C ATOM 0 H VAL A 33 -5.719 6.890 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.070 4.325 0.354 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.618 5.284 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.943 6.002 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.839 4.550 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.237 6.134 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.917 7.613 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.286 7.925 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.586 7.428 2.425 1.00 0.00 H new ATOM 299 N ARG A 34 -6.846 6.339 2.299 1.00 0.00 N ATOM 300 CA ARG A 34 -7.848 6.421 3.392 1.00 0.00 C ATOM 301 C ARG A 34 -8.794 5.237 3.355 1.00 0.00 C ATOM 302 O ARG A 34 -8.860 4.448 4.285 1.00 0.00 O ATOM 303 CB ARG A 34 -8.690 7.662 3.189 1.00 0.00 C ATOM 304 CG ARG A 34 -9.575 8.040 4.367 1.00 0.00 C ATOM 305 CD ARG A 34 -10.465 9.214 4.008 1.00 0.00 C ATOM 306 NE ARG A 34 -9.687 10.382 3.568 1.00 0.00 N ATOM 307 CZ ARG A 34 -9.993 11.155 2.520 1.00 0.00 C ATOM 308 NH1 ARG A 34 -11.078 10.904 1.810 1.00 0.00 N ATOM 309 NH2 ARG A 34 -9.229 12.192 2.212 1.00 0.00 N ATOM 0 H ARG A 34 -6.649 7.246 1.875 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.312 6.438 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.028 8.499 2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.321 7.515 2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.188 7.187 4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.956 8.295 5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.153 8.918 3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.071 9.487 4.872 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.851 10.621 4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.682 10.121 2.061 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.312 11.493 1.011 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.405 12.403 2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.465 12.780 1.412 1.00 0.00 H new ATOM 323 N ASP A 35 -9.487 5.100 2.249 1.00 0.00 N ATOM 324 CA ASP A 35 -10.431 4.006 2.075 1.00 0.00 C ATOM 325 C ASP A 35 -9.764 2.677 2.154 1.00 0.00 C ATOM 326 O ASP A 35 -10.305 1.756 2.733 1.00 0.00 O ATOM 327 CB ASP A 35 -11.229 4.117 0.811 1.00 0.00 C ATOM 328 CG ASP A 35 -12.427 5.009 0.930 1.00 0.00 C ATOM 329 OD1 ASP A 35 -13.305 4.740 1.787 1.00 0.00 O ATOM 330 OD2 ASP A 35 -12.552 5.968 0.142 1.00 0.00 O ATOM 0 H ASP A 35 -9.419 5.731 1.451 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.131 4.089 2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.584 4.494 0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.557 3.122 0.510 1.00 0.00 H new ATOM 335 N PHE A 36 -8.602 2.561 1.570 1.00 0.00 N ATOM 336 CA PHE A 36 -7.797 1.376 1.746 1.00 0.00 C ATOM 337 C PHE A 36 -7.577 1.135 3.243 1.00 0.00 C ATOM 338 O PHE A 36 -8.072 0.161 3.782 1.00 0.00 O ATOM 339 CB PHE A 36 -6.490 1.527 0.901 1.00 0.00 C ATOM 340 CG PHE A 36 -5.209 0.788 1.304 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.577 1.023 2.521 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.608 -0.094 0.424 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.398 0.386 2.841 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.421 -0.721 0.736 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.815 -0.480 1.946 1.00 0.00 C ATOM 0 H PHE A 36 -8.188 3.272 0.967 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.294 0.480 1.375 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.729 1.222 -0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.250 2.590 0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.017 1.714 3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.079 -0.295 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.930 0.567 3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.967 -1.401 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.884 -0.969 2.193 1.00 0.00 H new ATOM 355 N ILE A 37 -7.008 2.125 3.887 1.00 0.00 N ATOM 356 CA ILE A 37 -6.565 2.091 5.303 1.00 0.00 C ATOM 357 C ILE A 37 -7.766 1.805 6.248 1.00 0.00 C ATOM 358 O ILE A 37 -7.600 1.282 7.330 1.00 0.00 O ATOM 359 CB ILE A 37 -5.979 3.475 5.826 1.00 0.00 C ATOM 360 CG1 ILE A 37 -5.077 4.301 4.861 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.269 3.304 7.159 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.811 3.648 4.383 1.00 0.00 C ATOM 0 H ILE A 37 -6.823 3.023 3.441 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.798 1.317 5.322 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.882 4.077 5.921 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.671 4.568 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.810 5.232 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.880 4.267 7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.972 2.923 7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.445 2.599 7.045 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.278 4.329 3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.180 3.407 5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.055 2.733 3.843 1.00 0.00 H new ATOM 374 N GLU A 38 -8.943 2.200 5.849 1.00 0.00 N ATOM 375 CA GLU A 38 -10.105 2.135 6.720 1.00 0.00 C ATOM 376 C GLU A 38 -11.029 1.009 6.327 1.00 0.00 C ATOM 377 O GLU A 38 -11.229 0.035 7.069 1.00 0.00 O ATOM 378 CB GLU A 38 -10.881 3.467 6.712 1.00 0.00 C ATOM 379 CG GLU A 38 -10.068 4.691 7.128 1.00 0.00 C ATOM 380 CD GLU A 38 -9.469 4.560 8.497 1.00 0.00 C ATOM 381 OE1 GLU A 38 -10.213 4.631 9.489 1.00 0.00 O ATOM 382 OE2 GLU A 38 -8.247 4.403 8.614 1.00 0.00 O ATOM 0 H GLU A 38 -9.133 2.575 4.920 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.736 1.946 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.274 3.635 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.738 3.375 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.271 4.854 6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.709 5.572 7.101 1.00 0.00 H new ATOM 389 N LYS A 39 -11.533 1.135 5.120 1.00 0.00 N ATOM 390 CA LYS A 39 -12.547 0.279 4.551 1.00 0.00 C ATOM 391 C LYS A 39 -11.970 -1.068 4.215 1.00 0.00 C ATOM 392 O LYS A 39 -12.607 -2.093 4.435 1.00 0.00 O ATOM 393 CB LYS A 39 -13.133 1.002 3.288 1.00 0.00 C ATOM 394 CG LYS A 39 -14.245 0.306 2.475 1.00 0.00 C ATOM 395 CD LYS A 39 -13.707 -0.736 1.498 1.00 0.00 C ATOM 396 CE LYS A 39 -14.821 -1.316 0.635 1.00 0.00 C ATOM 397 NZ LYS A 39 -14.320 -2.383 -0.261 1.00 0.00 N ATOM 0 H LYS A 39 -11.233 1.871 4.480 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.350 0.101 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.518 1.969 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.304 1.201 2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.943 -0.174 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.808 1.058 1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.949 -0.282 0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.218 -1.538 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.606 -1.718 1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.271 -0.522 0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.040 -2.600 -0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.449 -2.062 -0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.118 -3.238 0.296 1.00 0.00 H new ATOM 411 N ARG A 40 -10.753 -1.088 3.729 1.00 0.00 N ATOM 412 CA ARG A 40 -10.216 -2.320 3.286 1.00 0.00 C ATOM 413 C ARG A 40 -9.107 -2.839 4.210 1.00 0.00 C ATOM 414 O ARG A 40 -8.765 -3.945 4.109 1.00 0.00 O ATOM 415 CB ARG A 40 -9.766 -2.200 1.797 1.00 0.00 C ATOM 416 CG ARG A 40 -9.091 -3.443 1.210 1.00 0.00 C ATOM 417 CD ARG A 40 -10.001 -4.670 1.094 1.00 0.00 C ATOM 418 NE ARG A 40 -10.951 -4.610 -0.032 1.00 0.00 N ATOM 419 CZ ARG A 40 -11.712 -5.655 -0.448 1.00 0.00 C ATOM 420 NH1 ARG A 40 -11.704 -6.820 0.219 1.00 0.00 N ATOM 421 NH2 ARG A 40 -12.472 -5.525 -1.522 1.00 0.00 N ATOM 0 H ARG A 40 -10.140 -0.278 3.637 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.000 -3.076 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.639 -1.961 1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.078 -1.359 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.706 -3.198 0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.233 -3.701 1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.381 -5.560 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.561 -4.783 2.022 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.043 -3.725 -0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.121 -6.928 1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.280 -7.597 -0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.485 -4.643 -2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.045 -6.307 -1.839 1.00 0.00 H new ATOM 435 N TYR A 41 -8.605 -2.022 5.140 1.00 0.00 N ATOM 436 CA TYR A 41 -7.428 -2.401 6.039 1.00 0.00 C ATOM 437 C TYR A 41 -7.339 -3.866 6.469 1.00 0.00 C ATOM 438 O TYR A 41 -6.467 -4.602 6.015 1.00 0.00 O ATOM 439 CB TYR A 41 -7.422 -1.565 7.285 1.00 0.00 C ATOM 440 CG TYR A 41 -6.194 -1.715 8.158 1.00 0.00 C ATOM 441 CD1 TYR A 41 -5.011 -1.070 7.850 1.00 0.00 C ATOM 442 CD2 TYR A 41 -6.231 -2.510 9.292 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.899 -1.215 8.649 1.00 0.00 C ATOM 444 CE2 TYR A 41 -5.133 -2.660 10.093 1.00 0.00 C ATOM 445 CZ TYR A 41 -3.966 -2.013 9.771 1.00 0.00 C ATOM 446 OH TYR A 41 -2.857 -2.161 10.581 1.00 0.00 O ATOM 0 H TYR A 41 -8.971 -1.087 5.317 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.565 -2.215 5.400 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.520 -0.517 7.000 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.302 -1.818 7.877 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.958 -0.444 6.971 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.147 -3.022 9.549 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.980 -0.707 8.398 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.184 -3.284 10.973 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.075 -2.756 11.329 1.00 0.00 H new ATOM 456 N VAL A 42 -8.200 -4.261 7.354 1.00 0.00 N ATOM 457 CA VAL A 42 -8.188 -5.602 7.895 1.00 0.00 C ATOM 458 C VAL A 42 -8.420 -6.637 6.787 1.00 0.00 C ATOM 459 O VAL A 42 -7.856 -7.738 6.798 1.00 0.00 O ATOM 460 CB VAL A 42 -9.202 -5.697 9.070 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.501 -5.002 8.702 1.00 0.00 C ATOM 462 CG2 VAL A 42 -9.441 -7.141 9.510 1.00 0.00 C ATOM 0 H VAL A 42 -8.939 -3.666 7.729 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.206 -5.834 8.307 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.768 -5.183 9.927 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.202 -5.076 9.534 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.303 -3.952 8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.932 -5.478 7.821 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.156 -7.157 10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.838 -7.715 8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.500 -7.582 9.839 1.00 0.00 H new ATOM 472 N GLU A 43 -9.126 -6.212 5.784 1.00 0.00 N ATOM 473 CA GLU A 43 -9.425 -7.014 4.644 1.00 0.00 C ATOM 474 C GLU A 43 -8.224 -7.069 3.713 1.00 0.00 C ATOM 475 O GLU A 43 -8.086 -8.009 3.034 1.00 0.00 O ATOM 476 CB GLU A 43 -10.644 -6.452 3.914 1.00 0.00 C ATOM 477 CG GLU A 43 -11.852 -6.190 4.803 1.00 0.00 C ATOM 478 CD GLU A 43 -12.340 -7.424 5.505 1.00 0.00 C ATOM 479 OE1 GLU A 43 -13.092 -8.207 4.901 1.00 0.00 O ATOM 480 OE2 GLU A 43 -11.992 -7.638 6.685 1.00 0.00 O ATOM 0 H GLU A 43 -9.519 -5.272 5.738 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.654 -8.028 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.360 -5.520 3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.933 -7.149 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.594 -5.434 5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.660 -5.779 4.198 1.00 0.00 H new ATOM 487 N LEU A 44 -7.335 -6.062 3.710 1.00 0.00 N ATOM 488 CA LEU A 44 -6.173 -6.111 2.837 1.00 0.00 C ATOM 489 C LEU A 44 -5.069 -6.847 3.527 1.00 0.00 C ATOM 490 O LEU A 44 -4.187 -7.425 2.899 1.00 0.00 O ATOM 491 CB LEU A 44 -5.799 -4.701 2.313 1.00 0.00 C ATOM 492 CG LEU A 44 -5.437 -3.608 3.314 1.00 0.00 C ATOM 493 CD1 LEU A 44 -3.980 -3.633 3.675 1.00 0.00 C ATOM 494 CD2 LEU A 44 -5.834 -2.272 2.780 1.00 0.00 C ATOM 0 H LEU A 44 -7.403 -5.227 4.291 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.399 -6.675 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.955 -4.817 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.638 -4.338 1.720 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.992 -3.800 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.769 -2.838 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.732 -4.596 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.380 -3.483 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.571 -1.499 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.311 -2.085 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.910 -2.255 2.605 1.00 0.00 H new ATOM 506 N LYS A 45 -5.178 -6.866 4.829 1.00 0.00 N ATOM 507 CA LYS A 45 -4.323 -7.631 5.676 1.00 0.00 C ATOM 508 C LYS A 45 -4.632 -9.109 5.443 1.00 0.00 C ATOM 509 O LYS A 45 -3.740 -9.927 5.266 1.00 0.00 O ATOM 510 CB LYS A 45 -4.614 -7.244 7.130 1.00 0.00 C ATOM 511 CG LYS A 45 -3.690 -7.845 8.173 1.00 0.00 C ATOM 512 CD LYS A 45 -4.114 -7.417 9.574 1.00 0.00 C ATOM 513 CE LYS A 45 -5.434 -8.055 9.995 1.00 0.00 C ATOM 514 NZ LYS A 45 -5.304 -9.513 10.190 1.00 0.00 N ATOM 0 H LYS A 45 -5.885 -6.333 5.336 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.271 -7.442 5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.567 -6.158 7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.637 -7.538 7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.706 -8.932 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.664 -7.528 7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.336 -7.691 10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.210 -6.332 9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.781 -7.595 10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.191 -7.856 9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.147 -9.874 10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.215 -9.980 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.458 -9.713 10.761 1.00 0.00 H new ATOM 528 N LYS A 46 -5.918 -9.425 5.393 1.00 0.00 N ATOM 529 CA LYS A 46 -6.363 -10.800 5.203 1.00 0.00 C ATOM 530 C LYS A 46 -6.348 -11.183 3.716 1.00 0.00 C ATOM 531 O LYS A 46 -6.251 -12.361 3.372 1.00 0.00 O ATOM 532 CB LYS A 46 -7.783 -10.971 5.775 1.00 0.00 C ATOM 533 CG LYS A 46 -8.904 -10.490 4.849 1.00 0.00 C ATOM 534 CD LYS A 46 -10.096 -9.944 5.608 1.00 0.00 C ATOM 535 CE LYS A 46 -10.629 -10.852 6.690 1.00 0.00 C ATOM 536 NZ LYS A 46 -11.837 -10.258 7.301 1.00 0.00 N ATOM 0 H LYS A 46 -6.674 -8.746 5.482 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.676 -11.460 5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.945 -12.025 6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.849 -10.427 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.515 -9.717 4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.228 -11.317 4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.817 -8.991 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.897 -9.739 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.867 -11.830 6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.866 -11.009 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.853 -10.473 8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.824 -9.227 7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.686 -10.656 6.850 1.00 0.00 H new ATOM 550 N ALA A 47 -6.450 -10.181 2.840 1.00 0.00 N ATOM 551 CA ALA A 47 -6.538 -10.426 1.415 1.00 0.00 C ATOM 552 C ALA A 47 -5.223 -10.847 0.855 1.00 0.00 C ATOM 553 O ALA A 47 -5.147 -11.662 -0.050 1.00 0.00 O ATOM 554 CB ALA A 47 -6.984 -9.199 0.644 1.00 0.00 C ATOM 0 H ALA A 47 -6.473 -9.195 3.101 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.278 -11.219 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.034 -9.435 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.969 -8.888 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.271 -8.390 0.803 1.00 0.00 H new ATOM 560 N ASN A 48 -4.185 -10.307 1.411 1.00 0.00 N ATOM 561 CA ASN A 48 -2.875 -10.483 0.905 1.00 0.00 C ATOM 562 C ASN A 48 -2.016 -10.980 2.054 1.00 0.00 C ATOM 563 O ASN A 48 -1.453 -10.206 2.817 1.00 0.00 O ATOM 564 CB ASN A 48 -2.320 -9.171 0.273 1.00 0.00 C ATOM 565 CG ASN A 48 -3.193 -8.596 -0.870 1.00 0.00 C ATOM 566 OD1 ASN A 48 -3.199 -7.254 -1.082 1.00 0.00 O flip ATOM 567 ND2 ASN A 48 -3.846 -9.344 -1.580 1.00 0.00 N flip ATOM 0 H ASN A 48 -4.233 -9.722 2.245 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.871 -11.213 0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.223 -8.418 1.055 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.318 -9.362 -0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.832 -10.350 -1.410 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.405 -8.963 -2.344 1.00 0.00 H new ATOM 574 N PRO A 49 -2.037 -12.296 2.250 1.00 0.00 N ATOM 575 CA PRO A 49 -1.340 -12.993 3.345 1.00 0.00 C ATOM 576 C PRO A 49 0.135 -12.777 3.309 1.00 0.00 C ATOM 577 O PRO A 49 0.759 -12.367 4.301 1.00 0.00 O ATOM 578 CB PRO A 49 -1.675 -14.465 3.101 1.00 0.00 C ATOM 579 CG PRO A 49 -2.085 -14.503 1.679 1.00 0.00 C ATOM 580 CD PRO A 49 -2.789 -13.222 1.428 1.00 0.00 C ATOM 0 HA PRO A 49 -1.654 -12.629 4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.814 -15.107 3.286 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.475 -14.807 3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.219 -14.608 1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.738 -15.353 1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.765 -12.944 0.374 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.838 -13.269 1.722 1.00 0.00 H new ATOM 588 N ASP A 50 0.681 -13.030 2.174 1.00 0.00 N ATOM 589 CA ASP A 50 2.107 -12.809 1.926 1.00 0.00 C ATOM 590 C ASP A 50 2.337 -11.348 1.494 1.00 0.00 C ATOM 591 O ASP A 50 3.086 -11.036 0.550 1.00 0.00 O ATOM 592 CB ASP A 50 2.679 -13.814 0.896 1.00 0.00 C ATOM 593 CG ASP A 50 4.205 -13.756 0.784 1.00 0.00 C ATOM 594 OD1 ASP A 50 4.906 -13.983 1.805 1.00 0.00 O ATOM 595 OD2 ASP A 50 4.728 -13.470 -0.297 1.00 0.00 O ATOM 0 H ASP A 50 0.171 -13.398 1.371 1.00 0.00 H new ATOM 0 HA ASP A 50 2.651 -12.986 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.379 -14.824 1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.241 -13.612 -0.081 1.00 0.00 H new ATOM 600 N LEU A 51 1.641 -10.462 2.155 1.00 0.00 N ATOM 601 CA LEU A 51 1.830 -9.064 2.003 1.00 0.00 C ATOM 602 C LEU A 51 1.899 -8.465 3.407 1.00 0.00 C ATOM 603 O LEU A 51 0.879 -8.382 4.092 1.00 0.00 O ATOM 604 CB LEU A 51 0.671 -8.425 1.174 1.00 0.00 C ATOM 605 CG LEU A 51 0.766 -6.910 0.781 1.00 0.00 C ATOM 606 CD1 LEU A 51 -0.339 -6.520 -0.141 1.00 0.00 C ATOM 607 CD2 LEU A 51 0.707 -5.995 1.952 1.00 0.00 C ATOM 0 H LEU A 51 0.914 -10.709 2.826 1.00 0.00 H new ATOM 0 HA LEU A 51 2.750 -8.860 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.570 -8.999 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.252 -8.562 1.738 1.00 0.00 H new ATOM 0 HG LEU A 51 1.737 -6.807 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.245 -5.464 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.282 -7.118 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.298 -6.692 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.778 -4.962 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.236 -6.139 2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.536 -6.212 2.626 1.00 0.00 H new ATOM 619 N PRO A 52 3.101 -8.178 3.900 1.00 0.00 N ATOM 620 CA PRO A 52 3.293 -7.428 5.145 1.00 0.00 C ATOM 621 C PRO A 52 2.599 -6.101 5.121 1.00 0.00 C ATOM 622 O PRO A 52 2.855 -5.291 4.235 1.00 0.00 O ATOM 623 CB PRO A 52 4.758 -7.158 5.126 1.00 0.00 C ATOM 624 CG PRO A 52 5.318 -8.356 4.504 1.00 0.00 C ATOM 625 CD PRO A 52 4.386 -8.654 3.372 1.00 0.00 C ATOM 0 HA PRO A 52 2.911 -7.974 6.008 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.993 -6.261 4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.151 -7.007 6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.333 -8.182 4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.365 -9.186 5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.671 -8.130 2.460 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.360 -9.717 3.134 1.00 0.00 H new ATOM 633 N ILE A 53 1.819 -5.852 6.120 1.00 0.00 N ATOM 634 CA ILE A 53 1.005 -4.644 6.182 1.00 0.00 C ATOM 635 C ILE A 53 1.627 -3.696 7.232 1.00 0.00 C ATOM 636 O ILE A 53 1.407 -3.879 8.434 1.00 0.00 O ATOM 637 CB ILE A 53 -0.480 -4.971 6.635 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.121 -6.147 5.837 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.379 -3.730 6.548 1.00 0.00 C ATOM 640 CD1 ILE A 53 -1.505 -5.853 4.394 1.00 0.00 C ATOM 0 H ILE A 53 1.715 -6.469 6.926 1.00 0.00 H new ATOM 0 HA ILE A 53 0.978 -4.191 5.191 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.406 -5.288 7.675 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.423 -6.984 5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.014 -6.474 6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.389 -3.989 6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.984 -2.948 7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.403 -3.370 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.940 -6.746 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.233 -5.042 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.617 -5.560 3.834 1.00 0.00 H new ATOM 652 N LEU A 54 2.437 -2.741 6.798 1.00 0.00 N ATOM 653 CA LEU A 54 3.064 -1.785 7.728 1.00 0.00 C ATOM 654 C LEU A 54 2.619 -0.363 7.433 1.00 0.00 C ATOM 655 O LEU A 54 2.555 0.034 6.280 1.00 0.00 O ATOM 656 CB LEU A 54 4.621 -1.818 7.663 1.00 0.00 C ATOM 657 CG LEU A 54 5.358 -3.097 8.103 1.00 0.00 C ATOM 658 CD1 LEU A 54 4.896 -3.562 9.462 1.00 0.00 C ATOM 659 CD2 LEU A 54 5.273 -4.204 7.068 1.00 0.00 C ATOM 0 H LEU A 54 2.680 -2.600 5.818 1.00 0.00 H new ATOM 0 HA LEU A 54 2.742 -2.091 8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.912 -1.607 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.994 -0.996 8.274 1.00 0.00 H new ATOM 0 HG LEU A 54 6.413 -2.837 8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.437 -4.466 9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.089 -2.782 10.199 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.827 -3.774 9.430 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.809 -5.082 7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.228 -4.462 6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.721 -3.864 6.134 1.00 0.00 H new ATOM 671 N ILE A 55 2.325 0.392 8.472 1.00 0.00 N ATOM 672 CA ILE A 55 1.983 1.793 8.357 1.00 0.00 C ATOM 673 C ILE A 55 3.216 2.595 8.734 1.00 0.00 C ATOM 674 O ILE A 55 3.782 2.428 9.816 1.00 0.00 O ATOM 675 CB ILE A 55 0.740 2.235 9.236 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.581 1.586 8.747 1.00 0.00 C ATOM 677 CG2 ILE A 55 0.590 3.756 9.264 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.713 0.108 9.047 1.00 0.00 C ATOM 0 H ILE A 55 2.317 0.045 9.431 1.00 0.00 H new ATOM 0 HA ILE A 55 1.675 1.981 7.329 1.00 0.00 H new ATOM 0 HB ILE A 55 0.937 1.881 10.248 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.419 2.111 9.206 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.664 1.732 7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.271 4.025 9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.489 4.203 9.688 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.445 4.126 8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.668 -0.256 8.668 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.100 -0.435 8.565 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.666 -0.050 10.124 1.00 0.00 H new ATOM 690 N ARG A 56 3.648 3.392 7.819 1.00 0.00 N ATOM 691 CA ARG A 56 4.864 4.171 7.905 1.00 0.00 C ATOM 692 C ARG A 56 4.612 5.637 7.611 1.00 0.00 C ATOM 693 O ARG A 56 3.525 6.020 7.218 1.00 0.00 O ATOM 694 CB ARG A 56 5.895 3.630 6.937 1.00 0.00 C ATOM 695 CG ARG A 56 6.376 2.206 7.233 1.00 0.00 C ATOM 696 CD ARG A 56 7.245 2.115 8.498 1.00 0.00 C ATOM 697 NE ARG A 56 6.522 2.394 9.751 1.00 0.00 N ATOM 698 CZ ARG A 56 7.065 2.940 10.853 1.00 0.00 C ATOM 699 NH1 ARG A 56 8.291 3.482 10.807 1.00 0.00 N ATOM 700 NH2 ARG A 56 6.361 2.986 11.978 1.00 0.00 N ATOM 0 H ARG A 56 3.148 3.535 6.942 1.00 0.00 H new ATOM 0 HA ARG A 56 5.237 4.090 8.926 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.475 3.654 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.758 4.296 6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.511 1.553 7.346 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.946 1.836 6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.678 1.116 8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.074 2.817 8.406 1.00 0.00 H new ATOM 0 HE ARG A 56 5.531 2.154 9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.816 3.481 9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.698 3.895 11.646 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.414 2.608 12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.767 3.399 12.817 1.00 0.00 H new ATOM 714 N GLU A 57 5.631 6.425 7.792 1.00 0.00 N ATOM 715 CA GLU A 57 5.579 7.877 7.641 1.00 0.00 C ATOM 716 C GLU A 57 5.874 8.361 6.200 1.00 0.00 C ATOM 717 O GLU A 57 6.292 7.588 5.345 1.00 0.00 O ATOM 718 CB GLU A 57 6.464 8.574 8.697 1.00 0.00 C ATOM 719 CG GLU A 57 7.767 7.836 9.055 1.00 0.00 C ATOM 720 CD GLU A 57 8.647 7.524 7.870 1.00 0.00 C ATOM 721 OE1 GLU A 57 9.461 8.374 7.481 1.00 0.00 O ATOM 722 OE2 GLU A 57 8.545 6.404 7.324 1.00 0.00 O ATOM 0 H GLU A 57 6.554 6.080 8.056 1.00 0.00 H new ATOM 0 HA GLU A 57 4.547 8.174 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.718 9.570 8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.879 8.706 9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.332 8.442 9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.516 6.904 9.562 1.00 0.00 H new ATOM 729 N CYS A 58 5.617 9.626 5.942 1.00 0.00 N ATOM 730 CA CYS A 58 5.762 10.215 4.620 1.00 0.00 C ATOM 731 C CYS A 58 7.192 10.395 4.139 1.00 0.00 C ATOM 732 O CYS A 58 7.961 11.158 4.696 1.00 0.00 O ATOM 733 CB CYS A 58 5.005 11.535 4.522 1.00 0.00 C ATOM 734 SG CYS A 58 3.202 11.326 4.423 1.00 0.00 S ATOM 0 H CYS A 58 5.297 10.286 6.651 1.00 0.00 H new ATOM 0 HA CYS A 58 5.323 9.478 3.948 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.245 12.149 5.390 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.349 12.079 3.642 1.00 0.00 H new ATOM 739 N SER A 59 7.533 9.655 3.105 1.00 0.00 N ATOM 740 CA SER A 59 8.795 9.812 2.422 1.00 0.00 C ATOM 741 C SER A 59 8.590 10.700 1.169 1.00 0.00 C ATOM 742 O SER A 59 9.549 11.064 0.478 1.00 0.00 O ATOM 743 CB SER A 59 9.276 8.435 2.014 1.00 0.00 C ATOM 744 OG SER A 59 9.041 7.521 3.073 1.00 0.00 O ATOM 0 H SER A 59 6.938 8.925 2.714 1.00 0.00 H new ATOM 0 HA SER A 59 9.532 10.288 3.069 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.755 8.108 1.114 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.339 8.465 1.774 1.00 0.00 H new ATOM 0 HG SER A 59 8.776 6.653 2.703 1.00 0.00 H new ATOM 750 N ASP A 60 7.323 11.043 0.896 1.00 0.00 N ATOM 751 CA ASP A 60 6.939 11.874 -0.202 1.00 0.00 C ATOM 752 C ASP A 60 5.597 12.421 0.254 1.00 0.00 C ATOM 753 O ASP A 60 5.180 12.043 1.373 1.00 0.00 O ATOM 754 CB ASP A 60 6.810 11.020 -1.478 1.00 0.00 C ATOM 755 CG ASP A 60 6.647 11.822 -2.745 1.00 0.00 C ATOM 756 OD1 ASP A 60 5.521 12.226 -3.061 1.00 0.00 O ATOM 757 OD2 ASP A 60 7.653 12.029 -3.467 1.00 0.00 O ATOM 0 H ASP A 60 6.533 10.731 1.461 1.00 0.00 H new ATOM 0 HA ASP A 60 7.650 12.663 -0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.695 10.390 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.954 10.353 -1.371 1.00 0.00 H new ATOM 762 N VAL A 61 4.897 13.171 -0.579 1.00 0.00 N ATOM 763 CA VAL A 61 3.645 13.886 -0.224 1.00 0.00 C ATOM 764 C VAL A 61 2.701 13.102 0.703 1.00 0.00 C ATOM 765 O VAL A 61 2.536 13.464 1.868 1.00 0.00 O ATOM 766 CB VAL A 61 2.822 14.312 -1.490 1.00 0.00 C ATOM 767 CG1 VAL A 61 1.526 15.012 -1.116 1.00 0.00 C ATOM 768 CG2 VAL A 61 3.615 15.198 -2.400 1.00 0.00 C ATOM 0 H VAL A 61 5.175 13.315 -1.550 1.00 0.00 H new ATOM 0 HA VAL A 61 4.004 14.762 0.316 1.00 0.00 H new ATOM 0 HB VAL A 61 2.584 13.388 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.988 15.290 -2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.909 14.341 -0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.750 15.909 -0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.008 15.469 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.908 16.101 -1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.507 14.670 -2.736 1.00 0.00 H new ATOM 778 N GLN A 62 2.177 11.979 0.231 1.00 0.00 N ATOM 779 CA GLN A 62 1.033 11.349 0.929 1.00 0.00 C ATOM 780 C GLN A 62 0.822 9.822 0.733 1.00 0.00 C ATOM 781 O GLN A 62 1.183 9.064 1.609 1.00 0.00 O ATOM 782 CB GLN A 62 -0.283 12.125 0.685 1.00 0.00 C ATOM 783 CG GLN A 62 -0.529 13.212 1.687 1.00 0.00 C ATOM 784 CD GLN A 62 -0.862 12.678 3.056 1.00 0.00 C ATOM 785 OE1 GLN A 62 -0.515 13.280 4.073 1.00 0.00 O ATOM 786 NE2 GLN A 62 -1.585 11.589 3.101 1.00 0.00 N ATOM 0 H GLN A 62 2.502 11.489 -0.602 1.00 0.00 H new ATOM 0 HA GLN A 62 1.329 11.426 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.259 12.561 -0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.118 11.425 0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.356 13.845 1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.347 13.843 1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.853 11.118 2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.881 11.210 4.001 1.00 0.00 H new ATOM 795 N PRO A 63 0.335 9.347 -0.420 1.00 0.00 N ATOM 796 CA PRO A 63 -0.128 7.962 -0.582 1.00 0.00 C ATOM 797 C PRO A 63 0.897 7.042 -1.214 1.00 0.00 C ATOM 798 O PRO A 63 0.627 6.439 -2.227 1.00 0.00 O ATOM 799 CB PRO A 63 -1.262 8.159 -1.576 1.00 0.00 C ATOM 800 CG PRO A 63 -0.861 9.337 -2.407 1.00 0.00 C ATOM 801 CD PRO A 63 0.229 10.063 -1.690 1.00 0.00 C ATOM 0 HA PRO A 63 -0.373 7.499 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.402 7.272 -2.194 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.206 8.343 -1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.519 9.011 -3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.714 9.996 -2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.165 10.034 -2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.019 11.114 -1.539 1.00 0.00 H new ATOM 809 N LYS A 64 2.022 6.883 -0.611 1.00 0.00 N ATOM 810 CA LYS A 64 3.067 6.088 -1.252 1.00 0.00 C ATOM 811 C LYS A 64 3.035 4.716 -0.685 1.00 0.00 C ATOM 812 O LYS A 64 2.899 4.542 0.536 1.00 0.00 O ATOM 813 CB LYS A 64 4.507 6.618 -1.015 1.00 0.00 C ATOM 814 CG LYS A 64 4.828 8.069 -1.368 1.00 0.00 C ATOM 815 CD LYS A 64 4.097 9.041 -0.487 1.00 0.00 C ATOM 816 CE LYS A 64 4.465 8.860 0.974 1.00 0.00 C ATOM 817 NZ LYS A 64 3.736 9.779 1.867 1.00 0.00 N ATOM 0 H LYS A 64 2.261 7.272 0.301 1.00 0.00 H new ATOM 0 HA LYS A 64 2.858 6.130 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.741 6.476 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.189 5.983 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.901 8.235 -1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.564 8.255 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.330 10.060 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.022 8.908 -0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.258 7.832 1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.537 9.017 1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.122 9.707 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.843 10.755 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.728 9.525 1.878 1.00 0.00 H new ATOM 831 N LEU A 65 3.206 3.766 -1.528 1.00 0.00 N ATOM 832 CA LEU A 65 3.241 2.406 -1.097 1.00 0.00 C ATOM 833 C LEU A 65 4.590 1.859 -1.298 1.00 0.00 C ATOM 834 O LEU A 65 5.063 1.789 -2.422 1.00 0.00 O ATOM 835 CB LEU A 65 2.226 1.576 -1.845 1.00 0.00 C ATOM 836 CG LEU A 65 0.864 1.342 -1.134 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.053 0.461 0.083 1.00 0.00 C ATOM 838 CD2 LEU A 65 0.209 2.651 -0.710 1.00 0.00 C ATOM 0 H LEU A 65 3.326 3.901 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 65 2.990 2.371 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.032 2.056 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.671 0.604 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 65 0.207 0.850 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.091 0.305 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.464 -0.501 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.740 0.944 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.740 2.440 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.866 3.180 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.032 3.271 -1.589 1.00 0.00 H new ATOM 850 N TRP A 66 5.242 1.549 -0.231 1.00 0.00 N ATOM 851 CA TRP A 66 6.506 0.927 -0.331 1.00 0.00 C ATOM 852 C TRP A 66 6.294 -0.565 -0.408 1.00 0.00 C ATOM 853 O TRP A 66 5.551 -1.124 0.378 1.00 0.00 O ATOM 854 CB TRP A 66 7.446 1.262 0.864 1.00 0.00 C ATOM 855 CG TRP A 66 8.619 0.306 0.957 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.743 -0.789 1.773 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.770 0.323 0.150 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.916 -1.441 1.517 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.570 -0.770 0.513 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.200 1.161 -0.839 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.778 -1.024 -0.116 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.373 0.910 -1.455 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.149 -0.154 -1.108 1.00 0.00 C ATOM 0 H TRP A 66 4.916 1.719 0.720 1.00 0.00 H new ATOM 0 HA TRP A 66 6.997 1.306 -1.227 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.818 2.281 0.757 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.876 1.227 1.793 1.00 0.00 H new ATOM 0 HD1 TRP A 66 8.017 -1.093 2.513 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.249 -2.281 1.990 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.606 2.017 -1.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.396 -1.865 0.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.705 1.569 -2.243 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.081 -0.317 -1.628 1.00 0.00 H new ATOM 874 N ALA A 67 6.949 -1.168 -1.321 1.00 0.00 N ATOM 875 CA ALA A 67 6.925 -2.549 -1.512 1.00 0.00 C ATOM 876 C ALA A 67 8.341 -3.036 -1.691 1.00 0.00 C ATOM 877 O ALA A 67 9.132 -2.408 -2.405 1.00 0.00 O ATOM 878 CB ALA A 67 6.114 -2.893 -2.742 1.00 0.00 C ATOM 0 H ALA A 67 7.546 -0.678 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 67 6.467 -3.028 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.103 -3.974 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.093 -2.533 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.561 -2.420 -3.616 1.00 0.00 H new ATOM 884 N ARG A 68 8.677 -4.095 -1.032 1.00 0.00 N ATOM 885 CA ARG A 68 9.896 -4.751 -1.263 1.00 0.00 C ATOM 886 C ARG A 68 9.498 -6.182 -1.420 1.00 0.00 C ATOM 887 O ARG A 68 9.196 -6.885 -0.471 1.00 0.00 O ATOM 888 CB ARG A 68 10.938 -4.576 -0.153 1.00 0.00 C ATOM 889 CG ARG A 68 12.322 -5.043 -0.591 1.00 0.00 C ATOM 890 CD ARG A 68 13.034 -4.008 -1.489 1.00 0.00 C ATOM 891 NE ARG A 68 14.054 -4.646 -2.350 1.00 0.00 N ATOM 892 CZ ARG A 68 14.924 -4.000 -3.155 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.231 -2.725 -2.936 1.00 0.00 N ATOM 894 NH2 ARG A 68 15.556 -4.664 -4.119 1.00 0.00 N ATOM 0 H ARG A 68 8.097 -4.525 -0.311 1.00 0.00 H new ATOM 0 HA ARG A 68 10.401 -4.333 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.985 -3.527 0.138 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.627 -5.138 0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.933 -5.237 0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.231 -5.986 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.299 -3.498 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.506 -3.248 -0.866 1.00 0.00 H new ATOM 0 HE ARG A 68 14.104 -5.665 -2.334 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.808 -2.226 -2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.890 -2.246 -3.550 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.383 -5.661 -4.250 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.213 -4.176 -4.728 1.00 0.00 H new ATOM 908 N TYR A 69 9.349 -6.512 -2.617 1.00 0.00 N ATOM 909 CA TYR A 69 8.866 -7.811 -3.082 1.00 0.00 C ATOM 910 C TYR A 69 9.853 -8.943 -2.738 1.00 0.00 C ATOM 911 O TYR A 69 10.984 -8.691 -2.349 1.00 0.00 O ATOM 912 CB TYR A 69 8.664 -7.753 -4.598 1.00 0.00 C ATOM 913 CG TYR A 69 7.794 -6.608 -5.071 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.428 -6.721 -5.100 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.355 -5.410 -5.493 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.644 -5.681 -5.535 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.572 -4.369 -5.928 1.00 0.00 C ATOM 918 CZ TYR A 69 6.212 -4.515 -5.948 1.00 0.00 C ATOM 919 OH TYR A 69 5.411 -3.480 -6.365 1.00 0.00 O ATOM 0 H TYR A 69 9.562 -5.875 -3.384 1.00 0.00 H new ATOM 0 HA TYR A 69 7.924 -8.026 -2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.639 -7.675 -5.079 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.219 -8.692 -4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.962 -7.640 -4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.429 -5.295 -5.479 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.570 -5.789 -5.550 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.026 -3.444 -6.251 1.00 0.00 H new ATOM 0 HH TYR A 69 5.970 -2.749 -6.701 1.00 0.00 H new ATOM 929 N ALA A 70 9.415 -10.181 -2.920 1.00 0.00 N ATOM 930 CA ALA A 70 10.221 -11.367 -2.615 1.00 0.00 C ATOM 931 C ALA A 70 11.005 -11.820 -3.800 1.00 0.00 C ATOM 932 O ALA A 70 11.917 -12.627 -3.671 1.00 0.00 O ATOM 933 CB ALA A 70 9.395 -12.484 -2.014 1.00 0.00 C ATOM 0 H ALA A 70 8.487 -10.398 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 70 10.940 -11.073 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.037 -13.340 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.937 -12.140 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.615 -12.778 -2.716 1.00 0.00 H new ATOM 939 N PHE A 71 10.656 -11.309 -4.963 1.00 0.00 N ATOM 940 CA PHE A 71 11.555 -11.424 -6.089 1.00 0.00 C ATOM 941 C PHE A 71 12.720 -10.483 -5.774 1.00 0.00 C ATOM 942 O PHE A 71 13.814 -10.583 -6.314 1.00 0.00 O ATOM 943 CB PHE A 71 10.866 -11.023 -7.396 1.00 0.00 C ATOM 944 CG PHE A 71 11.731 -11.211 -8.612 1.00 0.00 C ATOM 945 CD1 PHE A 71 11.883 -12.460 -9.176 1.00 0.00 C ATOM 946 CD2 PHE A 71 12.397 -10.142 -9.180 1.00 0.00 C ATOM 947 CE1 PHE A 71 12.683 -12.637 -10.282 1.00 0.00 C ATOM 948 CE2 PHE A 71 13.194 -10.312 -10.285 1.00 0.00 C ATOM 949 CZ PHE A 71 13.339 -11.561 -10.838 1.00 0.00 C ATOM 0 H PHE A 71 9.779 -10.822 -5.150 1.00 0.00 H new ATOM 0 HA PHE A 71 11.889 -12.452 -6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.956 -11.611 -7.513 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.564 -9.978 -7.333 1.00 0.00 H new ATOM 0 HD1 PHE A 71 11.370 -13.307 -8.746 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.289 -9.158 -8.748 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.796 -13.620 -10.714 1.00 0.00 H new ATOM 0 HE2 PHE A 71 13.706 -9.466 -10.718 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.966 -11.699 -11.707 1.00 0.00 H new ATOM 959 N GLY A 72 12.430 -9.578 -4.858 1.00 0.00 N ATOM 960 CA GLY A 72 13.388 -8.687 -4.330 1.00 0.00 C ATOM 961 C GLY A 72 13.524 -7.437 -5.132 1.00 0.00 C ATOM 962 O GLY A 72 14.620 -6.930 -5.351 1.00 0.00 O ATOM 0 H GLY A 72 11.496 -9.457 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.111 -8.428 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.355 -9.188 -4.281 1.00 0.00 H new ATOM 966 N GLN A 73 12.400 -6.953 -5.597 1.00 0.00 N ATOM 967 CA GLN A 73 12.317 -5.684 -6.290 1.00 0.00 C ATOM 968 C GLN A 73 11.702 -4.682 -5.338 1.00 0.00 C ATOM 969 O GLN A 73 11.153 -5.082 -4.291 1.00 0.00 O ATOM 970 CB GLN A 73 11.454 -5.803 -7.547 1.00 0.00 C ATOM 971 CG GLN A 73 12.047 -6.683 -8.625 1.00 0.00 C ATOM 972 CD GLN A 73 11.162 -6.786 -9.846 1.00 0.00 C ATOM 973 OE1 GLN A 73 11.247 -5.979 -10.753 1.00 0.00 O ATOM 974 NE2 GLN A 73 10.337 -7.792 -9.897 1.00 0.00 N ATOM 0 H GLN A 73 11.504 -7.432 -5.506 1.00 0.00 H new ATOM 0 HA GLN A 73 13.312 -5.366 -6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.477 -6.198 -7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.289 -4.806 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.019 -6.286 -8.918 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.219 -7.680 -8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.289 -8.452 -9.121 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.739 -7.920 -10.713 1.00 0.00 H new ATOM 983 N GLU A 74 11.770 -3.420 -5.655 1.00 0.00 N ATOM 984 CA GLU A 74 11.202 -2.431 -4.789 1.00 0.00 C ATOM 985 C GLU A 74 10.085 -1.662 -5.482 1.00 0.00 C ATOM 986 O GLU A 74 9.842 -1.821 -6.691 1.00 0.00 O ATOM 987 CB GLU A 74 12.261 -1.452 -4.246 1.00 0.00 C ATOM 988 CG GLU A 74 12.825 -0.461 -5.259 1.00 0.00 C ATOM 989 CD GLU A 74 13.669 -1.099 -6.336 1.00 0.00 C ATOM 990 OE1 GLU A 74 13.109 -1.572 -7.355 1.00 0.00 O ATOM 991 OE2 GLU A 74 14.896 -1.118 -6.195 1.00 0.00 O ATOM 0 H GLU A 74 12.210 -3.055 -6.500 1.00 0.00 H new ATOM 0 HA GLU A 74 10.782 -2.970 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.822 -0.890 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.087 -2.031 -3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.999 0.074 -5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.426 0.280 -4.732 1.00 0.00 H new ATOM 998 N THR A 75 9.404 -0.883 -4.702 1.00 0.00 N ATOM 999 CA THR A 75 8.349 -0.013 -5.105 1.00 0.00 C ATOM 1000 C THR A 75 8.095 0.931 -3.961 1.00 0.00 C ATOM 1001 O THR A 75 8.144 0.534 -2.849 1.00 0.00 O ATOM 1002 CB THR A 75 7.079 -0.831 -5.475 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.144 -1.265 -6.846 1.00 0.00 O ATOM 1004 CG2 THR A 75 5.761 -0.120 -5.169 1.00 0.00 C ATOM 0 H THR A 75 9.584 -0.836 -3.699 1.00 0.00 H new ATOM 0 HA THR A 75 8.621 0.551 -5.997 1.00 0.00 H new ATOM 0 HB THR A 75 7.080 -1.705 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.058 -1.549 -7.056 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.927 -0.760 -5.457 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.702 0.094 -4.102 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.713 0.814 -5.729 1.00 0.00 H new ATOM 1012 N ASN A 76 7.982 2.162 -4.242 1.00 0.00 N ATOM 1013 CA ASN A 76 7.684 3.174 -3.243 1.00 0.00 C ATOM 1014 C ASN A 76 6.863 4.249 -3.892 1.00 0.00 C ATOM 1015 O ASN A 76 7.417 5.176 -4.486 1.00 0.00 O ATOM 1016 CB ASN A 76 8.971 3.717 -2.545 1.00 0.00 C ATOM 1017 CG ASN A 76 10.151 4.008 -3.484 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.259 5.099 -4.042 1.00 0.00 O ATOM 1019 ND2 ASN A 76 11.109 3.071 -3.598 1.00 0.00 N ATOM 0 H ASN A 76 8.091 2.534 -5.186 1.00 0.00 H new ATOM 0 HA ASN A 76 7.104 2.732 -2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.717 4.633 -2.012 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.293 2.992 -1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.943 3.259 -4.154 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.002 2.172 -3.128 1.00 0.00 H new ATOM 1026 N VAL A 77 5.531 4.141 -3.850 1.00 0.00 N ATOM 1027 CA VAL A 77 4.798 5.071 -4.742 1.00 0.00 C ATOM 1028 C VAL A 77 3.459 5.654 -4.367 1.00 0.00 C ATOM 1029 O VAL A 77 2.547 4.953 -3.964 1.00 0.00 O ATOM 1030 CB VAL A 77 4.780 4.524 -6.138 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.163 3.125 -6.208 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.225 5.465 -7.206 1.00 0.00 C ATOM 0 H VAL A 77 4.979 3.499 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 77 5.401 5.971 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 77 5.834 4.431 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.174 2.774 -7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.741 2.441 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.135 3.162 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.257 4.972 -8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.194 5.723 -6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.827 6.373 -7.240 1.00 0.00 H new ATOM 1042 N PRO A 78 3.400 7.012 -4.497 1.00 0.00 N ATOM 1043 CA PRO A 78 2.198 7.834 -4.398 1.00 0.00 C ATOM 1044 C PRO A 78 1.209 7.380 -5.392 1.00 0.00 C ATOM 1045 O PRO A 78 1.355 7.589 -6.599 1.00 0.00 O ATOM 1046 CB PRO A 78 2.674 9.239 -4.745 1.00 0.00 C ATOM 1047 CG PRO A 78 4.136 9.217 -4.508 1.00 0.00 C ATOM 1048 CD PRO A 78 4.577 7.811 -4.753 1.00 0.00 C ATOM 0 HA PRO A 78 1.727 7.782 -3.416 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.446 9.489 -5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.184 9.987 -4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.649 9.908 -5.177 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.370 9.526 -3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.932 7.679 -5.775 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.398 7.532 -4.092 1.00 0.00 H new ATOM 1056 N LEU A 79 0.266 6.708 -4.897 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.730 6.110 -5.666 1.00 0.00 C ATOM 1058 C LEU A 79 -2.095 6.781 -5.454 1.00 0.00 C ATOM 1059 O LEU A 79 -3.161 6.165 -5.596 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.667 4.615 -5.385 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.716 4.085 -3.939 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -1.950 4.529 -3.174 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.660 2.573 -4.000 1.00 0.00 C ATOM 0 H LEU A 79 0.160 6.550 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.568 6.251 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.493 4.152 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.255 4.243 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 79 0.134 4.499 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.919 4.120 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.975 5.618 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.843 4.169 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.693 2.167 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.512 2.200 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.265 2.262 -4.486 1.00 0.00 H new ATOM 1075 N ASN A 80 -2.019 8.094 -5.212 1.00 0.00 N ATOM 1076 CA ASN A 80 -3.193 8.993 -4.960 1.00 0.00 C ATOM 1077 C ASN A 80 -4.278 8.885 -6.023 1.00 0.00 C ATOM 1078 O ASN A 80 -5.464 9.095 -5.752 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.732 10.471 -4.837 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.869 11.465 -4.607 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -4.464 11.991 -5.558 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -4.155 11.755 -3.365 1.00 0.00 N ATOM 0 H ASN A 80 -1.128 8.590 -5.181 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.631 8.657 -4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.022 10.551 -4.014 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.199 10.750 -5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.888 12.433 -3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.646 11.303 -2.606 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.874 8.525 -7.185 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.746 8.464 -8.346 1.00 0.00 C ATOM 1091 C ASN A 81 -5.822 7.383 -8.203 1.00 0.00 C ATOM 1092 O ASN A 81 -6.933 7.534 -8.716 1.00 0.00 O ATOM 1093 CB ASN A 81 -3.920 8.201 -9.601 1.00 0.00 C ATOM 1094 CG ASN A 81 -4.659 8.541 -10.866 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -5.354 7.708 -11.457 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -4.499 9.764 -11.298 1.00 0.00 N ATOM 0 H ASN A 81 -2.910 8.254 -7.382 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.252 9.426 -8.426 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.001 8.785 -9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.630 7.151 -9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.958 10.065 -12.158 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.915 10.417 -10.776 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.521 6.331 -7.466 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.416 5.217 -7.341 1.00 0.00 C ATOM 1105 C PHE A 82 -7.267 5.368 -6.094 1.00 0.00 C ATOM 1106 O PHE A 82 -7.127 6.328 -5.333 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.634 3.900 -7.290 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.642 3.724 -8.403 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -5.042 3.266 -9.640 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -3.302 4.022 -8.201 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -4.129 3.107 -10.659 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -2.385 3.866 -9.214 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.797 3.408 -10.445 1.00 0.00 C ATOM 0 H PHE A 82 -4.651 6.233 -6.943 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.068 5.198 -8.214 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.107 3.841 -6.338 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.341 3.071 -7.315 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.082 3.029 -9.812 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.975 4.381 -7.236 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.454 2.747 -11.624 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.345 4.102 -9.044 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.080 3.284 -11.243 1.00 0.00 H new ATOM 1123 N SER A 83 -8.117 4.423 -5.900 1.00 0.00 N ATOM 1124 CA SER A 83 -9.066 4.397 -4.809 1.00 0.00 C ATOM 1125 C SER A 83 -8.898 3.095 -3.995 1.00 0.00 C ATOM 1126 O SER A 83 -8.103 2.269 -4.380 1.00 0.00 O ATOM 1127 CB SER A 83 -10.467 4.528 -5.395 1.00 0.00 C ATOM 1128 OG SER A 83 -10.647 5.807 -6.024 1.00 0.00 O ATOM 0 H SER A 83 -8.185 3.610 -6.512 1.00 0.00 H new ATOM 0 HA SER A 83 -8.893 5.226 -4.123 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.636 3.734 -6.123 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.208 4.400 -4.606 1.00 0.00 H new ATOM 0 HG SER A 83 -11.553 5.865 -6.393 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.656 2.948 -2.894 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.577 1.800 -1.926 1.00 0.00 C ATOM 1136 C ALA A 84 -9.316 0.419 -2.579 1.00 0.00 C ATOM 1137 O ALA A 84 -8.264 -0.250 -2.368 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.905 1.684 -1.215 1.00 0.00 C ATOM 0 H ALA A 84 -10.364 3.633 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.736 2.025 -1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.868 0.856 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.113 2.610 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.694 1.502 -1.945 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.260 0.000 -3.367 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.223 -1.306 -3.971 1.00 0.00 C ATOM 1146 C ASP A 85 -9.246 -1.352 -5.120 1.00 0.00 C ATOM 1147 O ASP A 85 -8.630 -2.370 -5.370 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.633 -1.799 -4.342 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.449 -2.248 -3.118 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -12.660 -1.453 -2.170 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -12.863 -3.425 -3.065 1.00 0.00 O ATOM 0 H ASP A 85 -11.081 0.553 -3.612 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.849 -2.013 -3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.168 -1.001 -4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.550 -2.630 -5.042 1.00 0.00 H new ATOM 1156 N GLN A 86 -9.062 -0.228 -5.782 1.00 0.00 N ATOM 1157 CA GLN A 86 -8.057 -0.120 -6.832 1.00 0.00 C ATOM 1158 C GLN A 86 -6.676 -0.216 -6.306 1.00 0.00 C ATOM 1159 O GLN A 86 -5.880 -0.916 -6.877 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.240 1.113 -7.701 1.00 0.00 C ATOM 1161 CG GLN A 86 -9.237 0.913 -8.803 1.00 0.00 C ATOM 1162 CD GLN A 86 -8.797 -0.214 -9.708 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -9.150 -1.381 -9.501 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -8.008 0.106 -10.678 1.00 0.00 N ATOM 0 H GLN A 86 -9.593 0.627 -5.615 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.214 -0.983 -7.479 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.561 1.946 -7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.279 1.391 -8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.216 0.688 -8.381 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.342 1.832 -9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.739 1.080 -10.817 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.653 -0.615 -11.306 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.389 0.444 -5.216 1.00 0.00 N ATOM 1174 CA VAL A 87 -5.078 0.348 -4.642 1.00 0.00 C ATOM 1175 C VAL A 87 -4.840 -1.061 -4.134 1.00 0.00 C ATOM 1176 O VAL A 87 -3.788 -1.608 -4.343 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.766 1.427 -3.554 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.790 2.806 -4.150 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.731 1.376 -2.417 1.00 0.00 C ATOM 0 H VAL A 87 -7.039 1.048 -4.713 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.371 0.566 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.770 1.203 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.570 3.541 -3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.041 2.875 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.777 3.004 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.474 2.143 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.741 1.552 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.684 0.395 -1.944 1.00 0.00 H new ATOM 1189 N THR A 88 -5.854 -1.683 -3.548 1.00 0.00 N ATOM 1190 CA THR A 88 -5.676 -3.050 -3.088 1.00 0.00 C ATOM 1191 C THR A 88 -5.524 -4.073 -4.218 1.00 0.00 C ATOM 1192 O THR A 88 -4.721 -5.018 -4.122 1.00 0.00 O ATOM 1193 CB THR A 88 -6.714 -3.456 -2.050 1.00 0.00 C ATOM 1194 OG1 THR A 88 -8.022 -3.012 -2.453 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.362 -2.847 -0.727 1.00 0.00 C ATOM 0 H THR A 88 -6.776 -1.280 -3.384 1.00 0.00 H new ATOM 0 HA THR A 88 -4.712 -3.059 -2.578 1.00 0.00 H new ATOM 0 HB THR A 88 -6.722 -4.542 -1.963 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.112 -2.053 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.105 -3.137 0.016 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.379 -3.199 -0.414 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.346 -1.761 -0.819 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.219 -3.841 -5.284 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.162 -4.706 -6.459 1.00 0.00 C ATOM 1205 C ARG A 89 -4.850 -4.460 -7.167 1.00 0.00 C ATOM 1206 O ARG A 89 -4.196 -5.400 -7.613 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.325 -4.399 -7.416 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.428 -5.297 -8.653 1.00 0.00 C ATOM 1209 CD ARG A 89 -8.300 -6.529 -8.416 1.00 0.00 C ATOM 1210 NE ARG A 89 -7.813 -7.427 -7.362 1.00 0.00 N ATOM 1211 CZ ARG A 89 -8.517 -7.736 -6.252 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -9.607 -7.049 -5.948 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -8.111 -8.705 -5.444 1.00 0.00 N ATOM 0 H ARG A 89 -6.851 -3.047 -5.383 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.241 -5.747 -6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.258 -4.473 -6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.234 -3.365 -7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.838 -4.721 -9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.429 -5.616 -8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.307 -6.201 -8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.375 -7.090 -9.348 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.888 -7.842 -7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.915 -6.287 -6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.139 -7.282 -5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -7.260 -9.225 -5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.650 -8.931 -4.608 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.481 -3.190 -7.294 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.184 -2.816 -7.869 1.00 0.00 C ATOM 1229 C ALA A 90 -2.067 -3.425 -7.058 1.00 0.00 C ATOM 1230 O ALA A 90 -1.130 -3.952 -7.643 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.017 -1.307 -7.971 1.00 0.00 C ATOM 0 H ALA A 90 -5.058 -2.399 -7.008 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.144 -3.209 -8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.043 -1.077 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.801 -0.896 -8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.087 -0.865 -6.977 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.174 -3.380 -5.695 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.197 -4.078 -4.848 1.00 0.00 C ATOM 1239 C LEU A 91 -1.123 -5.505 -5.242 1.00 0.00 C ATOM 1240 O LEU A 91 -0.084 -5.976 -5.604 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.442 -4.000 -3.294 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.777 -2.827 -2.519 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.095 -1.465 -3.098 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.160 -2.885 -1.052 1.00 0.00 C ATOM 0 H LEU A 91 -2.906 -2.882 -5.188 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.262 -3.546 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.518 -3.947 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.096 -4.934 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 91 0.300 -2.957 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.599 -0.694 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.743 -1.417 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.173 -1.302 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.688 -2.059 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.243 -2.808 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.824 -3.830 -0.625 1.00 0.00 H new ATOM 1256 N GLU A 92 -2.243 -6.165 -5.268 1.00 0.00 N ATOM 1257 CA GLU A 92 -2.262 -7.599 -5.519 1.00 0.00 C ATOM 1258 C GLU A 92 -1.676 -7.914 -6.883 1.00 0.00 C ATOM 1259 O GLU A 92 -0.901 -8.880 -7.030 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.671 -8.128 -5.357 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.817 -9.637 -5.341 1.00 0.00 C ATOM 1262 CD GLU A 92 -5.257 -10.041 -5.179 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -5.736 -10.140 -4.046 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -5.963 -10.223 -6.181 1.00 0.00 O ATOM 0 H GLU A 92 -3.161 -5.745 -5.120 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.633 -8.105 -4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.081 -7.733 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.282 -7.732 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.421 -10.053 -6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.225 -10.054 -4.526 1.00 0.00 H new ATOM 1271 N ASN A 93 -2.007 -7.085 -7.834 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.457 -7.148 -9.161 1.00 0.00 C ATOM 1273 C ASN A 93 0.061 -7.122 -9.096 1.00 0.00 C ATOM 1274 O ASN A 93 0.722 -8.161 -9.309 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.011 -5.980 -10.002 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.183 -6.386 -10.859 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.013 -6.813 -11.996 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.374 -6.267 -10.329 1.00 0.00 N ATOM 0 H ASN A 93 -2.681 -6.330 -7.706 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.750 -8.082 -9.641 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.315 -5.171 -9.338 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.218 -5.588 -10.639 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.200 -6.534 -10.865 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.476 -5.908 -9.380 1.00 0.00 H new ATOM 1285 N VAL A 94 0.602 -5.995 -8.669 1.00 0.00 N ATOM 1286 CA VAL A 94 2.036 -5.818 -8.593 1.00 0.00 C ATOM 1287 C VAL A 94 2.726 -6.776 -7.690 1.00 0.00 C ATOM 1288 O VAL A 94 3.736 -7.371 -8.067 1.00 0.00 O ATOM 1289 CB VAL A 94 2.493 -4.399 -8.225 1.00 0.00 C ATOM 1290 CG1 VAL A 94 2.321 -3.441 -9.386 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.813 -3.846 -6.981 1.00 0.00 C ATOM 0 H VAL A 94 0.062 -5.184 -8.368 1.00 0.00 H new ATOM 0 HA VAL A 94 2.333 -6.022 -9.622 1.00 0.00 H new ATOM 0 HB VAL A 94 3.554 -4.488 -7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.654 -2.446 -9.090 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.915 -3.785 -10.233 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.270 -3.401 -9.672 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.184 -2.841 -6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.735 -3.810 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.032 -4.490 -6.130 1.00 0.00 H new ATOM 1301 N LEU A 95 2.194 -7.001 -6.555 1.00 0.00 N ATOM 1302 CA LEU A 95 2.984 -7.680 -5.605 1.00 0.00 C ATOM 1303 C LEU A 95 2.791 -9.108 -5.504 1.00 0.00 C ATOM 1304 O LEU A 95 3.685 -9.804 -5.059 1.00 0.00 O ATOM 1305 CB LEU A 95 3.028 -6.986 -4.274 1.00 0.00 C ATOM 1306 CG LEU A 95 1.705 -6.700 -3.594 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.062 -7.919 -2.962 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.827 -5.561 -2.638 1.00 0.00 C ATOM 0 H LEU A 95 1.252 -6.739 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 95 3.985 -7.612 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.630 -7.592 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.551 -6.039 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 95 1.016 -6.402 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.119 -7.633 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.874 -8.670 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.730 -8.332 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.862 -5.378 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.566 -5.805 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.142 -4.667 -3.176 1.00 0.00 H new ATOM 1320 N SER A 96 1.691 -9.578 -5.844 1.00 0.00 N ATOM 1321 CA SER A 96 1.579 -10.960 -5.757 1.00 0.00 C ATOM 1322 C SER A 96 1.728 -11.578 -7.145 1.00 0.00 C ATOM 1323 O SER A 96 1.824 -12.799 -7.269 1.00 0.00 O ATOM 1324 CB SER A 96 0.289 -11.389 -5.068 1.00 0.00 C ATOM 1325 OG SER A 96 0.219 -10.863 -3.744 1.00 0.00 O ATOM 0 H SER A 96 0.876 -9.061 -6.175 1.00 0.00 H new ATOM 0 HA SER A 96 2.387 -11.333 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.568 -11.045 -5.646 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.235 -12.477 -5.035 1.00 0.00 H new ATOM 0 HG SER A 96 1.004 -11.154 -3.234 1.00 0.00 H new ATOM 1331 N GLY A 97 1.731 -10.738 -8.207 1.00 0.00 N ATOM 1332 CA GLY A 97 1.895 -11.311 -9.500 1.00 0.00 C ATOM 1333 C GLY A 97 2.772 -10.529 -10.456 1.00 0.00 C ATOM 1334 O GLY A 97 3.035 -11.019 -11.557 1.00 0.00 O ATOM 0 H GLY A 97 1.626 -9.724 -8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.315 -12.310 -9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.911 -11.430 -9.953 1.00 0.00 H new ATOM 1338 N LYS A 98 3.239 -9.329 -10.103 1.00 0.00 N ATOM 1339 CA LYS A 98 3.997 -8.588 -11.118 1.00 0.00 C ATOM 1340 C LYS A 98 5.444 -8.761 -10.875 1.00 0.00 C ATOM 1341 O LYS A 98 6.191 -9.330 -11.675 1.00 0.00 O ATOM 1342 CB LYS A 98 3.593 -7.093 -11.151 1.00 0.00 C ATOM 1343 CG LYS A 98 4.032 -6.254 -12.378 1.00 0.00 C ATOM 1344 CD LYS A 98 5.532 -5.942 -12.427 1.00 0.00 C ATOM 1345 CE LYS A 98 5.865 -5.068 -13.629 1.00 0.00 C ATOM 1346 NZ LYS A 98 7.310 -4.745 -13.723 1.00 0.00 N ATOM 0 H LYS A 98 3.121 -8.876 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 98 3.759 -8.992 -12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.507 -7.038 -11.078 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.997 -6.617 -10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.754 -6.788 -13.287 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.478 -5.315 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.833 -5.436 -11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.100 -6.871 -12.479 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.551 -5.577 -14.540 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.294 -4.142 -13.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.479 -4.149 -14.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.608 -4.234 -12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.858 -5.625 -13.809 1.00 0.00 H new ATOM 1360 N ALA A 99 5.797 -8.300 -9.778 1.00 0.00 N ATOM 1361 CA ALA A 99 7.139 -8.239 -9.342 1.00 0.00 C ATOM 1362 C ALA A 99 7.497 -9.459 -8.501 1.00 0.00 C ATOM 1363 O ALA A 99 8.137 -10.390 -9.030 1.00 0.00 O ATOM 1364 CB ALA A 99 7.330 -6.950 -8.590 1.00 0.00 C ATOM 1365 OXT ALA A 99 7.105 -9.520 -7.324 1.00 0.00 O ATOM 0 H ALA A 99 5.135 -7.925 -9.099 1.00 0.00 H new ATOM 0 HA ALA A 99 7.816 -8.254 -10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.361 -6.881 -8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.111 -6.109 -9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.656 -6.925 -7.733 1.00 0.00 H new TER 1371 ALA A 99