USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 697 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 71 HIS : no HE2:sc= -1.5! K(o=-0.24!,f=-2.7) USER MOD Set 1.2: B 13 SER OG : rot 78:sc= 1.26 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.182 K(o=-0.18,f=-7.5!) USER MOD Single : A 16 ASN : amide:sc= -0.63 K(o=-0.63,f=-3.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.12 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.811 K(o=-0.81,f=-0.13) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 90:sc= 0.494 USER MOD Single : A 32 HIS : no HD1:sc= -0.957 K(o=-0.96,f=-3!) USER MOD Single : A 36 TYR OH : rot -105:sc= 0.0087 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0126) USER MOD Single : A 62 ASN : amide:sc=-0.00692 K(o=-0.0069,f=-2.5!) USER MOD Single : A 65 SER OG : rot -157:sc= 1.33 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0761 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc=-0.00257 (180deg=-0.0398) USER MOD Single : A 73 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 77 THR OG1 : rot 73:sc= 0.0235 USER MOD Single : A 80 ASN : amide:sc= 0.358 X(o=0.36,f=0) USER MOD Single : A 81 THR OG1 : rot -91:sc= 1.1 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 86 HIS : no HD1:sc= 1.06 K(o=1.1,f=-5.2!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.691 5.113 -10.151 1.00 0.00 N ATOM 54 CA GLY A 4 -11.681 4.204 -9.706 1.00 0.00 C ATOM 55 C GLY A 4 -10.630 3.956 -10.734 1.00 0.00 C ATOM 56 O GLY A 4 -10.457 2.836 -11.208 1.00 0.00 O ATOM 0 HA2 GLY A 4 -11.214 4.601 -8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.146 3.257 -9.434 1.00 0.00 H new ATOM 60 N ASP A 5 -9.900 5.009 -11.144 1.00 0.00 N ATOM 61 CA ASP A 5 -8.888 4.945 -12.152 1.00 0.00 C ATOM 62 C ASP A 5 -7.587 4.441 -11.631 1.00 0.00 C ATOM 63 O ASP A 5 -7.286 4.564 -10.445 1.00 0.00 O ATOM 64 CB ASP A 5 -8.744 6.340 -12.781 1.00 0.00 C ATOM 65 CG ASP A 5 -8.436 6.294 -14.271 1.00 0.00 C ATOM 66 OD1 ASP A 5 -9.206 5.640 -15.022 1.00 0.00 O ATOM 67 OD2 ASP A 5 -7.447 6.939 -14.713 1.00 0.00 O ATOM 0 H ASP A 5 -10.020 5.945 -10.756 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.193 4.224 -12.910 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.666 6.900 -12.624 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.950 6.883 -12.268 1.00 0.00 H new ATOM 72 N ILE A 6 -6.747 3.843 -12.496 1.00 0.00 N ATOM 73 CA ILE A 6 -5.434 3.389 -12.155 1.00 0.00 C ATOM 74 C ILE A 6 -4.458 4.494 -12.367 1.00 0.00 C ATOM 75 O ILE A 6 -4.494 5.164 -13.399 1.00 0.00 O ATOM 76 CB ILE A 6 -5.023 2.179 -12.941 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.863 0.945 -12.570 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.541 1.824 -12.737 1.00 0.00 C ATOM 79 CD1 ILE A 6 -7.132 0.763 -13.402 1.00 0.00 C ATOM 0 H ILE A 6 -6.992 3.669 -13.471 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.447 3.096 -11.105 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.190 2.443 -13.985 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.243 0.055 -12.678 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.141 1.014 -11.518 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.294 0.941 -13.327 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.919 2.660 -13.057 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.358 1.618 -11.682 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.659 -0.131 -13.070 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.777 1.632 -13.276 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.866 0.658 -14.454 1.00 0.00 H new ATOM 91 N PHE A 7 -3.541 4.762 -11.421 1.00 0.00 N ATOM 92 CA PHE A 7 -2.596 5.830 -11.531 1.00 0.00 C ATOM 93 C PHE A 7 -1.290 5.471 -10.911 1.00 0.00 C ATOM 94 O PHE A 7 -1.235 4.623 -10.022 1.00 0.00 O ATOM 95 CB PHE A 7 -3.150 7.150 -10.971 1.00 0.00 C ATOM 96 CG PHE A 7 -3.455 7.149 -9.512 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.600 6.557 -9.031 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.615 7.788 -8.632 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.896 6.595 -7.688 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.915 7.852 -7.292 1.00 0.00 C ATOM 101 CZ PHE A 7 -4.057 7.251 -6.818 1.00 0.00 C ATOM 0 H PHE A 7 -3.454 4.224 -10.559 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.417 5.990 -12.594 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.429 7.942 -11.173 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.060 7.402 -11.515 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.272 6.058 -9.714 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.708 8.246 -8.998 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.787 6.110 -7.317 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.256 8.373 -6.614 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.295 7.294 -5.765 1.00 0.00 H new ATOM 111 N GLU A 8 -0.175 6.077 -11.358 1.00 0.00 N ATOM 112 CA GLU A 8 1.124 5.792 -10.830 1.00 0.00 C ATOM 113 C GLU A 8 1.834 7.016 -10.363 1.00 0.00 C ATOM 114 O GLU A 8 2.034 7.980 -11.100 1.00 0.00 O ATOM 115 CB GLU A 8 1.947 4.937 -11.806 1.00 0.00 C ATOM 116 CG GLU A 8 2.432 5.597 -13.098 1.00 0.00 C ATOM 117 CD GLU A 8 2.924 4.579 -14.118 1.00 0.00 C ATOM 118 OE1 GLU A 8 3.653 3.621 -13.747 1.00 0.00 O ATOM 119 OE2 GLU A 8 2.581 4.724 -15.322 1.00 0.00 O ATOM 0 H GLU A 8 -0.175 6.778 -12.099 1.00 0.00 H new ATOM 0 HA GLU A 8 0.988 5.189 -9.932 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.821 4.566 -11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.347 4.069 -12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.620 6.180 -13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.237 6.295 -12.867 1.00 0.00 H new ATOM 126 N VAL A 9 2.187 7.077 -9.067 1.00 0.00 N ATOM 127 CA VAL A 9 2.941 8.149 -8.496 1.00 0.00 C ATOM 128 C VAL A 9 4.357 7.762 -8.241 1.00 0.00 C ATOM 129 O VAL A 9 4.624 6.696 -7.687 1.00 0.00 O ATOM 130 CB VAL A 9 2.337 8.709 -7.243 1.00 0.00 C ATOM 131 CG1 VAL A 9 2.987 10.058 -6.888 1.00 0.00 C ATOM 132 CG2 VAL A 9 0.825 8.932 -7.418 1.00 0.00 C ATOM 0 H VAL A 9 1.938 6.354 -8.392 1.00 0.00 H new ATOM 0 HA VAL A 9 2.916 8.937 -9.249 1.00 0.00 H new ATOM 0 HB VAL A 9 2.512 7.989 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.537 10.450 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.057 9.917 -6.733 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.829 10.764 -7.703 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.408 9.339 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.653 9.633 -8.235 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.341 7.982 -7.647 1.00 0.00 H new ATOM 142 N GLU A 10 5.313 8.652 -8.561 1.00 0.00 N ATOM 143 CA GLU A 10 6.703 8.496 -8.264 1.00 0.00 C ATOM 144 C GLU A 10 7.133 9.480 -7.231 1.00 0.00 C ATOM 145 O GLU A 10 6.907 10.683 -7.352 1.00 0.00 O ATOM 146 CB GLU A 10 7.558 8.726 -9.521 1.00 0.00 C ATOM 147 CG GLU A 10 9.060 8.560 -9.282 1.00 0.00 C ATOM 148 CD GLU A 10 9.909 8.564 -10.546 1.00 0.00 C ATOM 149 OE1 GLU A 10 9.373 8.616 -11.685 1.00 0.00 O ATOM 150 OE2 GLU A 10 11.152 8.449 -10.377 1.00 0.00 O ATOM 0 H GLU A 10 5.106 9.523 -9.051 1.00 0.00 H new ATOM 0 HA GLU A 10 6.844 7.479 -7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.243 8.028 -10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.368 9.730 -9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.401 9.363 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.228 7.623 -8.750 1.00 0.00 H new ATOM 157 N LEU A 11 7.764 8.998 -6.146 1.00 0.00 N ATOM 158 CA LEU A 11 8.247 9.800 -5.065 1.00 0.00 C ATOM 159 C LEU A 11 9.623 9.369 -4.688 1.00 0.00 C ATOM 160 O LEU A 11 10.245 8.537 -5.346 1.00 0.00 O ATOM 161 CB LEU A 11 7.231 9.733 -3.913 1.00 0.00 C ATOM 162 CG LEU A 11 7.244 10.841 -2.847 1.00 0.00 C ATOM 163 CD1 LEU A 11 7.227 12.258 -3.446 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.044 10.675 -1.898 1.00 0.00 C ATOM 0 H LEU A 11 7.946 8.003 -6.016 1.00 0.00 H new ATOM 0 HA LEU A 11 8.335 10.847 -5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.234 9.711 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.375 8.781 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 11 8.181 10.733 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.237 12.993 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.105 12.397 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.326 12.389 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.062 11.465 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.117 10.738 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.101 9.704 -1.406 1.00 0.00 H new ATOM 176 N ALA A 12 10.179 9.923 -3.596 1.00 0.00 N ATOM 177 CA ALA A 12 11.406 9.490 -3.002 1.00 0.00 C ATOM 178 C ALA A 12 11.256 9.581 -1.522 1.00 0.00 C ATOM 179 O ALA A 12 10.405 10.318 -1.024 1.00 0.00 O ATOM 180 CB ALA A 12 12.587 10.352 -3.476 1.00 0.00 C ATOM 0 H ALA A 12 9.754 10.709 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 12 11.617 8.463 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.506 9.999 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.680 10.278 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.414 11.391 -3.197 1.00 0.00 H new ATOM 186 N LYS A 13 12.060 8.826 -0.753 1.00 0.00 N ATOM 187 CA LYS A 13 12.011 8.820 0.677 1.00 0.00 C ATOM 188 C LYS A 13 12.549 10.073 1.278 1.00 0.00 C ATOM 189 O LYS A 13 13.733 10.395 1.193 1.00 0.00 O ATOM 190 CB LYS A 13 12.689 7.577 1.276 1.00 0.00 C ATOM 191 CG LYS A 13 12.607 7.463 2.800 1.00 0.00 C ATOM 192 CD LYS A 13 12.436 6.018 3.272 1.00 0.00 C ATOM 193 CE LYS A 13 12.225 5.841 4.776 1.00 0.00 C ATOM 194 NZ LYS A 13 13.504 5.596 5.480 1.00 0.00 N ATOM 0 H LYS A 13 12.767 8.199 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 13 10.954 8.774 0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.237 6.688 0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.739 7.579 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.512 7.881 3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.770 8.061 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.586 5.581 2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.318 5.450 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.749 6.732 5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.546 5.007 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.324 5.481 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.946 4.732 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.142 6.403 5.331 1.00 0.00 H new ATOM 208 N ASN A 14 11.652 10.857 1.902 1.00 0.00 N ATOM 209 CA ASN A 14 11.907 12.169 2.411 1.00 0.00 C ATOM 210 C ASN A 14 12.138 12.093 3.881 1.00 0.00 C ATOM 211 O ASN A 14 13.243 11.824 4.348 1.00 0.00 O ATOM 212 CB ASN A 14 10.787 13.132 1.982 1.00 0.00 C ATOM 213 CG ASN A 14 9.395 12.523 2.068 1.00 0.00 C ATOM 214 OD1 ASN A 14 8.798 12.429 3.140 1.00 0.00 O ATOM 215 ND2 ASN A 14 8.873 12.018 0.919 1.00 0.00 N ATOM 0 H ASN A 14 10.690 10.556 2.061 1.00 0.00 H new ATOM 0 HA ASN A 14 12.820 12.585 1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.824 14.022 2.610 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.970 13.456 0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.967 11.549 0.933 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.387 12.108 0.043 1.00 0.00 H new ATOM 222 N ASP A 15 11.077 12.285 4.685 1.00 0.00 N ATOM 223 CA ASP A 15 10.990 11.895 6.058 1.00 0.00 C ATOM 224 C ASP A 15 10.600 10.458 6.111 1.00 0.00 C ATOM 225 O ASP A 15 11.150 9.668 6.876 1.00 0.00 O ATOM 226 CB ASP A 15 9.923 12.759 6.751 1.00 0.00 C ATOM 227 CG ASP A 15 10.537 14.112 7.083 1.00 0.00 C ATOM 228 OD1 ASP A 15 11.220 14.211 8.138 1.00 0.00 O ATOM 229 OD2 ASP A 15 10.357 15.074 6.288 1.00 0.00 O ATOM 0 H ASP A 15 10.227 12.741 4.355 1.00 0.00 H new ATOM 0 HA ASP A 15 11.945 12.034 6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.057 12.885 6.101 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.571 12.270 7.659 1.00 0.00 H new ATOM 234 N ASN A 16 9.634 10.062 5.261 1.00 0.00 N ATOM 235 CA ASN A 16 9.225 8.699 5.120 1.00 0.00 C ATOM 236 C ASN A 16 9.044 8.418 3.668 1.00 0.00 C ATOM 237 O ASN A 16 9.243 9.288 2.822 1.00 0.00 O ATOM 238 CB ASN A 16 7.946 8.450 5.938 1.00 0.00 C ATOM 239 CG ASN A 16 7.737 6.972 6.233 1.00 0.00 C ATOM 240 OD1 ASN A 16 8.646 6.151 6.118 1.00 0.00 O ATOM 241 ND2 ASN A 16 6.485 6.602 6.612 1.00 0.00 N ATOM 0 H ASN A 16 9.125 10.707 4.657 1.00 0.00 H new ATOM 0 HA ASN A 16 9.980 8.016 5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.002 9.003 6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.085 8.836 5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.280 5.622 6.809 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.750 7.304 6.699 1.00 0.00 H new ATOM 248 N SER A 17 8.684 7.173 3.313 1.00 0.00 N ATOM 249 CA SER A 17 8.365 6.749 1.985 1.00 0.00 C ATOM 250 C SER A 17 6.940 7.045 1.667 1.00 0.00 C ATOM 251 O SER A 17 6.639 7.945 0.886 1.00 0.00 O ATOM 252 CB SER A 17 8.649 5.248 1.802 1.00 0.00 C ATOM 253 OG SER A 17 8.223 4.505 2.934 1.00 0.00 O ATOM 0 H SER A 17 8.611 6.417 3.994 1.00 0.00 H new ATOM 0 HA SER A 17 9.000 7.305 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.138 4.884 0.911 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.716 5.094 1.642 1.00 0.00 H new ATOM 0 HG SER A 17 8.413 3.554 2.792 1.00 0.00 H new ATOM 259 N LEU A 18 5.999 6.295 2.267 1.00 0.00 N ATOM 260 CA LEU A 18 4.590 6.486 2.112 1.00 0.00 C ATOM 261 C LEU A 18 4.022 7.179 3.303 1.00 0.00 C ATOM 262 O LEU A 18 3.729 8.373 3.267 1.00 0.00 O ATOM 263 CB LEU A 18 3.899 5.142 1.823 1.00 0.00 C ATOM 264 CG LEU A 18 4.392 4.433 0.551 1.00 0.00 C ATOM 265 CD1 LEU A 18 3.739 3.047 0.421 1.00 0.00 C ATOM 266 CD2 LEU A 18 4.138 5.239 -0.734 1.00 0.00 C ATOM 0 H LEU A 18 6.231 5.520 2.889 1.00 0.00 H new ATOM 0 HA LEU A 18 4.405 7.132 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.050 4.479 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.826 5.311 1.737 1.00 0.00 H new ATOM 0 HG LEU A 18 5.472 4.334 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.099 2.559 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.998 2.440 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.656 3.159 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.510 4.681 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.068 5.412 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.656 6.196 -0.671 1.00 0.00 H new ATOM 278 N GLY A 19 3.853 6.475 4.436 1.00 0.00 N ATOM 279 CA GLY A 19 3.372 7.025 5.666 1.00 0.00 C ATOM 280 C GLY A 19 1.891 6.941 5.808 1.00 0.00 C ATOM 281 O GLY A 19 1.231 7.930 6.122 1.00 0.00 O ATOM 0 H GLY A 19 4.061 5.478 4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.841 6.500 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.678 8.069 5.734 1.00 0.00 H new ATOM 285 N ILE A 20 1.313 5.747 5.589 1.00 0.00 N ATOM 286 CA ILE A 20 -0.108 5.597 5.636 1.00 0.00 C ATOM 287 C ILE A 20 -0.518 4.294 6.232 1.00 0.00 C ATOM 288 O ILE A 20 0.163 3.276 6.119 1.00 0.00 O ATOM 289 CB ILE A 20 -0.711 5.910 4.299 1.00 0.00 C ATOM 290 CG1 ILE A 20 -2.214 6.207 4.431 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.407 4.836 3.240 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.769 7.126 3.345 1.00 0.00 C ATOM 0 H ILE A 20 1.826 4.890 5.381 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.524 6.333 6.324 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.231 6.817 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.762 5.265 4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.399 6.661 5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.869 5.117 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.671 4.752 3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.808 3.877 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.834 7.284 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.250 8.084 3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.619 6.667 2.368 1.00 0.00 H new ATOM 304 N SER A 21 -1.651 4.264 6.955 1.00 0.00 N ATOM 305 CA SER A 21 -2.092 3.110 7.676 1.00 0.00 C ATOM 306 C SER A 21 -2.891 2.195 6.811 1.00 0.00 C ATOM 307 O SER A 21 -3.611 2.624 5.910 1.00 0.00 O ATOM 308 CB SER A 21 -2.893 3.500 8.929 1.00 0.00 C ATOM 309 OG SER A 21 -3.155 2.388 9.772 1.00 0.00 O ATOM 0 H SER A 21 -2.278 5.064 7.041 1.00 0.00 H new ATOM 0 HA SER A 21 -1.198 2.576 7.998 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.341 4.255 9.489 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.837 3.954 8.627 1.00 0.00 H new ATOM 0 HG SER A 21 -3.664 2.684 10.555 1.00 0.00 H new ATOM 315 N VAL A 22 -2.771 0.877 7.049 1.00 0.00 N ATOM 316 CA VAL A 22 -3.236 -0.160 6.181 1.00 0.00 C ATOM 317 C VAL A 22 -4.415 -0.860 6.764 1.00 0.00 C ATOM 318 O VAL A 22 -4.571 -0.926 7.983 1.00 0.00 O ATOM 319 CB VAL A 22 -2.135 -1.148 5.933 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.502 -2.106 4.786 1.00 0.00 C ATOM 321 CG2 VAL A 22 -0.843 -0.403 5.559 1.00 0.00 C ATOM 0 H VAL A 22 -2.326 0.516 7.892 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.539 0.296 5.239 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.988 -1.725 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.687 -2.812 4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.410 -2.652 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.670 -1.534 3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.046 -1.124 5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.010 0.185 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.556 0.260 6.375 1.00 0.00 H new ATOM 331 N THR A 23 -5.310 -1.411 5.924 1.00 0.00 N ATOM 332 CA THR A 23 -6.365 -2.272 6.360 1.00 0.00 C ATOM 333 C THR A 23 -6.526 -3.428 5.435 1.00 0.00 C ATOM 334 O THR A 23 -6.862 -3.309 4.258 1.00 0.00 O ATOM 335 CB THR A 23 -7.663 -1.558 6.600 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.703 -2.401 7.074 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.180 -0.828 5.349 1.00 0.00 C ATOM 0 H THR A 23 -5.300 -1.254 4.916 1.00 0.00 H new ATOM 0 HA THR A 23 -6.066 -2.656 7.335 1.00 0.00 H new ATOM 0 HB THR A 23 -7.416 -0.835 7.377 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.517 -1.872 7.210 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.121 -0.330 5.581 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.446 -0.087 5.031 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.340 -1.549 4.547 1.00 0.00 H new ATOM 345 N GLY A 24 -6.272 -4.645 5.945 1.00 0.00 N ATOM 346 CA GLY A 24 -6.574 -5.875 5.280 1.00 0.00 C ATOM 347 C GLY A 24 -5.436 -6.390 4.467 1.00 0.00 C ATOM 348 O GLY A 24 -4.344 -6.627 4.980 1.00 0.00 O ATOM 0 H GLY A 24 -5.838 -4.779 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.852 -6.624 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.439 -5.730 4.633 1.00 0.00 H new ATOM 352 N GLY A 25 -5.678 -6.613 3.163 1.00 0.00 N ATOM 353 CA GLY A 25 -4.672 -6.961 2.209 1.00 0.00 C ATOM 354 C GLY A 25 -4.176 -8.365 2.267 1.00 0.00 C ATOM 355 O GLY A 25 -3.033 -8.657 1.918 1.00 0.00 O ATOM 0 H GLY A 25 -6.612 -6.548 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.067 -6.777 1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.823 -6.291 2.344 1.00 0.00 H new ATOM 359 N VAL A 26 -5.019 -9.299 2.741 1.00 0.00 N ATOM 360 CA VAL A 26 -4.658 -10.666 2.956 1.00 0.00 C ATOM 361 C VAL A 26 -5.238 -11.559 1.915 1.00 0.00 C ATOM 362 O VAL A 26 -5.401 -11.186 0.754 1.00 0.00 O ATOM 363 CB VAL A 26 -4.964 -11.085 4.364 1.00 0.00 C ATOM 364 CG1 VAL A 26 -4.001 -10.333 5.297 1.00 0.00 C ATOM 365 CG2 VAL A 26 -6.428 -10.793 4.732 1.00 0.00 C ATOM 0 H VAL A 26 -5.988 -9.095 2.984 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.578 -10.764 2.843 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.827 -12.161 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.199 -10.617 6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.973 -10.589 5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.147 -9.259 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.615 -11.109 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.620 -9.724 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.088 -11.339 4.058 1.00 0.00 H new ATOM 375 N ASN A 27 -5.547 -12.817 2.277 1.00 0.00 N ATOM 376 CA ASN A 27 -5.845 -13.895 1.387 1.00 0.00 C ATOM 377 C ASN A 27 -7.168 -13.759 0.717 1.00 0.00 C ATOM 378 O ASN A 27 -7.310 -14.051 -0.470 1.00 0.00 O ATOM 379 CB ASN A 27 -5.679 -15.233 2.129 1.00 0.00 C ATOM 380 CG ASN A 27 -6.470 -15.312 3.426 1.00 0.00 C ATOM 381 OD1 ASN A 27 -7.614 -15.764 3.438 1.00 0.00 O ATOM 382 ND2 ASN A 27 -5.872 -14.866 4.563 1.00 0.00 N ATOM 0 H ASN A 27 -5.591 -13.098 3.256 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.128 -13.865 0.566 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.992 -16.044 1.472 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.623 -15.389 2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.373 -14.902 5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.922 -14.495 4.528 1.00 0.00 H new ATOM 389 N THR A 28 -8.183 -13.245 1.435 1.00 0.00 N ATOM 390 CA THR A 28 -9.392 -12.750 0.854 1.00 0.00 C ATOM 391 C THR A 28 -9.612 -11.410 1.465 1.00 0.00 C ATOM 392 O THR A 28 -9.699 -11.257 2.682 1.00 0.00 O ATOM 393 CB THR A 28 -10.561 -13.681 0.993 1.00 0.00 C ATOM 394 OG1 THR A 28 -11.740 -13.191 0.372 1.00 0.00 O ATOM 395 CG2 THR A 28 -10.911 -14.016 2.453 1.00 0.00 C ATOM 0 H THR A 28 -8.161 -13.172 2.452 1.00 0.00 H new ATOM 0 HA THR A 28 -9.296 -12.671 -0.229 1.00 0.00 H new ATOM 0 HB THR A 28 -10.224 -14.585 0.486 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.466 -13.838 0.493 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.765 -14.693 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.056 -14.494 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.160 -13.099 2.987 1.00 0.00 H new ATOM 403 N SER A 29 -9.614 -10.336 0.655 1.00 0.00 N ATOM 404 CA SER A 29 -9.748 -9.008 1.169 1.00 0.00 C ATOM 405 C SER A 29 -10.404 -8.198 0.105 1.00 0.00 C ATOM 406 O SER A 29 -11.595 -8.351 -0.163 1.00 0.00 O ATOM 407 CB SER A 29 -8.376 -8.472 1.612 1.00 0.00 C ATOM 408 OG SER A 29 -8.401 -7.137 2.096 1.00 0.00 O ATOM 0 H SER A 29 -9.522 -10.388 -0.360 1.00 0.00 H new ATOM 0 HA SER A 29 -10.369 -8.967 2.064 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.979 -9.122 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.687 -8.528 0.769 1.00 0.00 H new ATOM 0 HG SER A 29 -8.562 -7.142 3.063 1.00 0.00 H new ATOM 414 N VAL A 30 -9.638 -7.336 -0.587 1.00 0.00 N ATOM 415 CA VAL A 30 -10.071 -6.576 -1.719 1.00 0.00 C ATOM 416 C VAL A 30 -10.144 -7.453 -2.921 1.00 0.00 C ATOM 417 O VAL A 30 -11.184 -7.559 -3.570 1.00 0.00 O ATOM 418 CB VAL A 30 -9.264 -5.328 -1.916 1.00 0.00 C ATOM 419 CG1 VAL A 30 -7.744 -5.563 -1.973 1.00 0.00 C ATOM 420 CG2 VAL A 30 -9.748 -4.562 -3.159 1.00 0.00 C ATOM 0 H VAL A 30 -8.663 -7.160 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.080 -6.210 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.432 -4.721 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.234 -4.611 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.411 -6.015 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.510 -6.230 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.150 -3.659 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.641 -5.194 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.796 -4.289 -3.033 1.00 0.00 H new ATOM 430 N ARG A 31 -9.051 -8.178 -3.215 1.00 0.00 N ATOM 431 CA ARG A 31 -8.980 -9.232 -4.179 1.00 0.00 C ATOM 432 C ARG A 31 -8.305 -10.367 -3.490 1.00 0.00 C ATOM 433 O ARG A 31 -8.268 -10.432 -2.263 1.00 0.00 O ATOM 434 CB ARG A 31 -8.222 -8.734 -5.422 1.00 0.00 C ATOM 435 CG ARG A 31 -9.132 -8.454 -6.621 1.00 0.00 C ATOM 436 CD ARG A 31 -9.516 -9.737 -7.360 1.00 0.00 C ATOM 437 NE ARG A 31 -10.443 -9.397 -8.476 1.00 0.00 N ATOM 438 CZ ARG A 31 -10.056 -9.172 -9.766 1.00 0.00 C ATOM 439 NH1 ARG A 31 -8.755 -8.990 -10.137 1.00 0.00 N ATOM 440 NH2 ARG A 31 -11.025 -9.161 -10.727 1.00 0.00 N ATOM 0 H ARG A 31 -8.158 -8.017 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.957 -9.557 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.680 -7.823 -5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.478 -9.478 -5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.035 -7.948 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.627 -7.776 -7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.624 -10.229 -7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.993 -10.437 -6.675 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.438 -9.327 -8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.016 -9.019 -9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.522 -8.825 -11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.000 -9.318 -10.470 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.775 -8.996 -11.702 1.00 0.00 H new ATOM 454 N HIS A 32 -7.725 -11.308 -4.255 1.00 0.00 N ATOM 455 CA HIS A 32 -6.754 -12.251 -3.792 1.00 0.00 C ATOM 456 C HIS A 32 -5.440 -11.560 -3.673 1.00 0.00 C ATOM 457 O HIS A 32 -4.670 -11.466 -4.628 1.00 0.00 O ATOM 458 CB HIS A 32 -6.672 -13.427 -4.780 1.00 0.00 C ATOM 459 CG HIS A 32 -6.383 -13.044 -6.202 1.00 0.00 C ATOM 460 ND1 HIS A 32 -7.350 -12.494 -7.018 1.00 0.00 N ATOM 461 CD2 HIS A 32 -5.183 -13.065 -6.842 1.00 0.00 C ATOM 462 CE1 HIS A 32 -6.719 -12.164 -8.129 1.00 0.00 C ATOM 463 NE2 HIS A 32 -5.401 -12.495 -8.079 1.00 0.00 N ATOM 0 H HIS A 32 -7.944 -11.417 -5.245 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.037 -12.646 -2.816 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.897 -14.114 -4.440 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.615 -13.972 -4.751 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.249 -13.450 -6.459 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.192 -11.689 -8.976 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.708 -12.350 -8.813 1.00 0.00 H new ATOM 471 N GLY A 33 -5.139 -10.956 -2.510 1.00 0.00 N ATOM 472 CA GLY A 33 -4.030 -10.064 -2.371 1.00 0.00 C ATOM 473 C GLY A 33 -4.266 -8.722 -2.974 1.00 0.00 C ATOM 474 O GLY A 33 -5.271 -8.472 -3.640 1.00 0.00 O ATOM 0 H GLY A 33 -5.674 -11.089 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.802 -9.943 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.152 -10.513 -2.836 1.00 0.00 H new ATOM 478 N GLY A 34 -3.331 -7.780 -2.757 1.00 0.00 N ATOM 479 CA GLY A 34 -3.533 -6.396 -3.054 1.00 0.00 C ATOM 480 C GLY A 34 -3.956 -5.684 -1.816 1.00 0.00 C ATOM 481 O GLY A 34 -4.645 -6.252 -0.970 1.00 0.00 O ATOM 0 H GLY A 34 -2.412 -7.985 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.614 -5.958 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.292 -6.285 -3.828 1.00 0.00 H new ATOM 485 N ILE A 35 -3.551 -4.416 -1.626 1.00 0.00 N ATOM 486 CA ILE A 35 -3.514 -3.829 -0.322 1.00 0.00 C ATOM 487 C ILE A 35 -4.314 -2.572 -0.335 1.00 0.00 C ATOM 488 O ILE A 35 -4.326 -1.841 -1.324 1.00 0.00 O ATOM 489 CB ILE A 35 -2.106 -3.541 0.105 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.137 -4.724 -0.061 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.050 -3.015 1.549 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.465 -5.969 0.763 1.00 0.00 C ATOM 0 H ILE A 35 -3.248 -3.796 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.938 -4.533 0.394 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.764 -2.765 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.111 -5.004 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.134 -4.389 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.014 -2.817 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.628 -2.094 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.469 -3.761 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.719 -6.740 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.459 -5.716 1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.451 -6.340 0.484 1.00 0.00 H new ATOM 504 N TYR A 36 -5.037 -2.279 0.761 1.00 0.00 N ATOM 505 CA TYR A 36 -6.025 -1.248 0.827 1.00 0.00 C ATOM 506 C TYR A 36 -5.728 -0.305 1.942 1.00 0.00 C ATOM 507 O TYR A 36 -5.250 -0.683 3.010 1.00 0.00 O ATOM 508 CB TYR A 36 -7.401 -1.901 1.047 1.00 0.00 C ATOM 509 CG TYR A 36 -8.495 -1.184 0.336 1.00 0.00 C ATOM 510 CD1 TYR A 36 -8.720 -1.444 -0.995 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.316 -0.300 0.997 1.00 0.00 C ATOM 512 CE1 TYR A 36 -9.755 -0.833 -1.664 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.355 0.311 0.336 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.572 0.047 -0.996 1.00 0.00 C ATOM 515 OH TYR A 36 -11.647 0.657 -1.678 1.00 0.00 O ATOM 0 H TYR A 36 -4.927 -2.784 1.640 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.021 -0.683 -0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.367 -2.935 0.705 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.621 -1.925 2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.078 -2.135 -1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.143 -0.085 2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.925 -1.044 -2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.001 0.998 0.863 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.421 1.590 -1.877 1.00 0.00 H new ATOM 525 N VAL A 37 -5.978 0.998 1.720 1.00 0.00 N ATOM 526 CA VAL A 37 -5.601 2.055 2.607 1.00 0.00 C ATOM 527 C VAL A 37 -6.655 2.384 3.608 1.00 0.00 C ATOM 528 O VAL A 37 -7.833 2.536 3.289 1.00 0.00 O ATOM 529 CB VAL A 37 -5.222 3.275 1.821 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.842 4.439 2.751 1.00 0.00 C ATOM 531 CG2 VAL A 37 -4.018 2.957 0.919 1.00 0.00 C ATOM 0 H VAL A 37 -6.464 1.329 0.886 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.740 1.701 3.174 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.083 3.567 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.572 5.309 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.690 4.686 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.994 4.148 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.745 3.845 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.174 2.648 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.280 2.152 0.232 1.00 0.00 H new ATOM 541 N LYS A 38 -6.261 2.532 4.885 1.00 0.00 N ATOM 542 CA LYS A 38 -7.123 2.836 5.985 1.00 0.00 C ATOM 543 C LYS A 38 -7.260 4.299 6.234 1.00 0.00 C ATOM 544 O LYS A 38 -8.363 4.835 6.141 1.00 0.00 O ATOM 545 CB LYS A 38 -6.592 2.166 7.264 1.00 0.00 C ATOM 546 CG LYS A 38 -7.479 2.263 8.507 1.00 0.00 C ATOM 547 CD LYS A 38 -6.707 1.695 9.700 1.00 0.00 C ATOM 548 CE LYS A 38 -7.458 1.606 11.029 1.00 0.00 C ATOM 549 NZ LYS A 38 -6.532 1.185 12.104 1.00 0.00 N ATOM 0 H LYS A 38 -5.285 2.434 5.166 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.108 2.452 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.420 1.111 7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.623 2.605 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.756 3.300 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.405 1.708 8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.363 0.695 9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.819 2.308 9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.897 2.573 11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.280 0.894 10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.049 1.127 13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.133 0.253 11.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.763 1.879 12.191 1.00 0.00 H new ATOM 563 N ALA A 39 -6.172 5.001 6.597 1.00 0.00 N ATOM 564 CA ALA A 39 -6.234 6.380 6.968 1.00 0.00 C ATOM 565 C ALA A 39 -4.861 6.958 7.022 1.00 0.00 C ATOM 566 O ALA A 39 -3.881 6.229 7.163 1.00 0.00 O ATOM 567 CB ALA A 39 -6.910 6.570 8.337 1.00 0.00 C ATOM 0 H ALA A 39 -5.233 4.604 6.633 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.829 6.894 6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.938 7.631 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.927 6.179 8.298 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.344 6.035 9.100 1.00 0.00 H new ATOM 573 N VAL A 40 -4.735 8.292 6.910 1.00 0.00 N ATOM 574 CA VAL A 40 -3.483 8.977 6.812 1.00 0.00 C ATOM 575 C VAL A 40 -2.901 9.311 8.143 1.00 0.00 C ATOM 576 O VAL A 40 -3.592 9.722 9.073 1.00 0.00 O ATOM 577 CB VAL A 40 -3.559 10.151 5.882 1.00 0.00 C ATOM 578 CG1 VAL A 40 -4.443 11.285 6.427 1.00 0.00 C ATOM 579 CG2 VAL A 40 -2.157 10.671 5.523 1.00 0.00 C ATOM 0 H VAL A 40 -5.539 8.920 6.887 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.776 8.280 6.362 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.036 9.791 4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.461 12.108 5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.457 10.915 6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.039 11.637 7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.246 11.522 4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.640 10.981 6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.589 9.879 5.035 1.00 0.00 H new ATOM 589 N ILE A 41 -1.586 9.077 8.306 1.00 0.00 N ATOM 590 CA ILE A 41 -0.803 9.482 9.432 1.00 0.00 C ATOM 591 C ILE A 41 -0.322 10.879 9.238 1.00 0.00 C ATOM 592 O ILE A 41 0.390 11.088 8.257 1.00 0.00 O ATOM 593 CB ILE A 41 0.341 8.540 9.660 1.00 0.00 C ATOM 594 CG1 ILE A 41 -0.122 7.080 9.795 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.155 8.962 10.895 1.00 0.00 C ATOM 596 CD1 ILE A 41 -1.058 6.796 10.968 1.00 0.00 C ATOM 0 H ILE A 41 -1.037 8.574 7.609 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.430 9.452 10.323 1.00 0.00 H new ATOM 0 HB ILE A 41 0.979 8.596 8.778 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.624 6.789 8.872 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.758 6.445 9.893 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.980 8.265 11.042 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.551 9.966 10.744 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.512 8.954 11.775 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.325 5.739 10.973 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.557 7.048 11.903 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.961 7.398 10.867 1.00 0.00 H new ATOM 608 N PRO A 42 -0.580 11.875 10.032 1.00 0.00 N ATOM 609 CA PRO A 42 -0.039 13.191 9.849 1.00 0.00 C ATOM 610 C PRO A 42 1.402 13.364 10.185 1.00 0.00 C ATOM 611 O PRO A 42 1.754 14.349 10.831 1.00 0.00 O ATOM 612 CB PRO A 42 -0.876 14.087 10.759 1.00 0.00 C ATOM 613 CG PRO A 42 -2.214 13.343 10.900 1.00 0.00 C ATOM 614 CD PRO A 42 -1.720 11.889 10.936 1.00 0.00 C ATOM 0 HA PRO A 42 -0.086 13.431 8.787 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.396 14.229 11.727 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.015 15.077 10.324 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.750 13.622 11.807 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.885 13.533 10.062 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.432 11.591 11.944 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.496 11.197 10.609 1.00 0.00 H new ATOM 622 N GLN A 43 2.305 12.454 9.774 1.00 0.00 N ATOM 623 CA GLN A 43 3.667 12.475 10.210 1.00 0.00 C ATOM 624 C GLN A 43 4.543 11.826 9.195 1.00 0.00 C ATOM 625 O GLN A 43 5.432 11.030 9.490 1.00 0.00 O ATOM 626 CB GLN A 43 3.769 11.804 11.590 1.00 0.00 C ATOM 627 CG GLN A 43 4.662 12.530 12.598 1.00 0.00 C ATOM 628 CD GLN A 43 6.144 12.428 12.261 1.00 0.00 C ATOM 629 OE1 GLN A 43 6.732 13.332 11.672 1.00 0.00 O ATOM 630 NE2 GLN A 43 6.777 11.297 12.671 1.00 0.00 N ATOM 0 H GLN A 43 2.086 11.694 9.130 1.00 0.00 H new ATOM 0 HA GLN A 43 4.013 13.504 10.313 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.767 11.719 12.011 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.146 10.790 11.457 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.376 13.581 12.638 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.491 12.115 13.591 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.255 10.568 13.157 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.774 11.177 12.492 1.00 0.00 H new ATOM 639 N GLY A 44 4.311 12.129 7.905 1.00 0.00 N ATOM 640 CA GLY A 44 5.062 11.532 6.845 1.00 0.00 C ATOM 641 C GLY A 44 4.732 12.121 5.517 1.00 0.00 C ATOM 642 O GLY A 44 3.985 13.094 5.414 1.00 0.00 O ATOM 0 H GLY A 44 3.599 12.791 7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.127 11.658 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.866 10.460 6.823 1.00 0.00 H new ATOM 646 N ALA A 45 5.269 11.502 4.450 1.00 0.00 N ATOM 647 CA ALA A 45 5.163 11.904 3.082 1.00 0.00 C ATOM 648 C ALA A 45 3.781 12.106 2.563 1.00 0.00 C ATOM 649 O ALA A 45 3.508 13.090 1.876 1.00 0.00 O ATOM 650 CB ALA A 45 5.887 10.868 2.206 1.00 0.00 C ATOM 0 H ALA A 45 5.822 10.651 4.555 1.00 0.00 H new ATOM 0 HA ALA A 45 5.624 12.891 3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.814 11.162 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.936 10.816 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.424 9.890 2.341 1.00 0.00 H new ATOM 656 N ALA A 46 2.838 11.204 2.885 1.00 0.00 N ATOM 657 CA ALA A 46 1.451 11.299 2.551 1.00 0.00 C ATOM 658 C ALA A 46 0.794 12.576 2.949 1.00 0.00 C ATOM 659 O ALA A 46 0.073 13.188 2.163 1.00 0.00 O ATOM 660 CB ALA A 46 0.703 10.114 3.184 1.00 0.00 C ATOM 0 H ALA A 46 3.057 10.358 3.410 1.00 0.00 H new ATOM 0 HA ALA A 46 1.400 11.275 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.356 10.177 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.111 9.179 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.824 10.144 4.267 1.00 0.00 H new ATOM 666 N GLU A 47 1.069 13.045 4.179 1.00 0.00 N ATOM 667 CA GLU A 47 0.676 14.324 4.684 1.00 0.00 C ATOM 668 C GLU A 47 1.427 15.436 4.036 1.00 0.00 C ATOM 669 O GLU A 47 0.841 16.280 3.359 1.00 0.00 O ATOM 670 CB GLU A 47 0.832 14.353 6.213 1.00 0.00 C ATOM 671 CG GLU A 47 0.638 15.706 6.899 1.00 0.00 C ATOM 672 CD GLU A 47 -0.684 16.384 6.570 1.00 0.00 C ATOM 673 OE1 GLU A 47 -1.763 15.899 7.005 1.00 0.00 O ATOM 674 OE2 GLU A 47 -0.649 17.452 5.901 1.00 0.00 O ATOM 0 H GLU A 47 1.596 12.499 4.860 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.374 14.478 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.118 13.649 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.828 13.986 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.705 15.567 7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.455 16.368 6.612 1.00 0.00 H new ATOM 681 N SER A 48 2.764 15.464 4.183 1.00 0.00 N ATOM 682 CA SER A 48 3.624 16.524 3.754 1.00 0.00 C ATOM 683 C SER A 48 3.545 16.884 2.311 1.00 0.00 C ATOM 684 O SER A 48 3.374 18.050 1.961 1.00 0.00 O ATOM 685 CB SER A 48 5.103 16.216 4.044 1.00 0.00 C ATOM 686 OG SER A 48 5.326 16.109 5.442 1.00 0.00 O ATOM 0 H SER A 48 3.274 14.701 4.628 1.00 0.00 H new ATOM 0 HA SER A 48 3.253 17.369 4.334 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.390 15.286 3.552 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.732 17.003 3.629 1.00 0.00 H new ATOM 0 HG SER A 48 6.271 15.911 5.608 1.00 0.00 H new ATOM 692 N ASP A 49 3.646 15.891 1.409 1.00 0.00 N ATOM 693 CA ASP A 49 3.615 16.113 -0.004 1.00 0.00 C ATOM 694 C ASP A 49 2.215 16.230 -0.500 1.00 0.00 C ATOM 695 O ASP A 49 1.941 16.903 -1.491 1.00 0.00 O ATOM 696 CB ASP A 49 4.390 14.979 -0.696 1.00 0.00 C ATOM 697 CG ASP A 49 4.996 15.460 -2.007 1.00 0.00 C ATOM 698 OD1 ASP A 49 5.963 16.264 -1.951 1.00 0.00 O ATOM 699 OD2 ASP A 49 4.494 15.049 -3.087 1.00 0.00 O ATOM 0 H ASP A 49 3.752 14.910 1.668 1.00 0.00 H new ATOM 0 HA ASP A 49 4.097 17.061 -0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.179 14.617 -0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.722 14.139 -0.886 1.00 0.00 H new ATOM 704 N GLY A 50 1.254 15.585 0.186 1.00 0.00 N ATOM 705 CA GLY A 50 -0.141 15.641 -0.121 1.00 0.00 C ATOM 706 C GLY A 50 -0.496 14.641 -1.168 1.00 0.00 C ATOM 707 O GLY A 50 -0.714 14.999 -2.324 1.00 0.00 O ATOM 0 H GLY A 50 1.460 14.997 0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.724 15.452 0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.402 16.642 -0.465 1.00 0.00 H new ATOM 711 N ARG A 51 -0.524 13.344 -0.811 1.00 0.00 N ATOM 712 CA ARG A 51 -0.266 12.329 -1.785 1.00 0.00 C ATOM 713 C ARG A 51 -1.144 11.126 -1.727 1.00 0.00 C ATOM 714 O ARG A 51 -1.570 10.661 -2.784 1.00 0.00 O ATOM 715 CB ARG A 51 1.218 11.938 -1.691 1.00 0.00 C ATOM 716 CG ARG A 51 1.894 11.512 -2.995 1.00 0.00 C ATOM 717 CD ARG A 51 2.042 10.010 -3.245 1.00 0.00 C ATOM 718 NE ARG A 51 0.732 9.471 -3.706 1.00 0.00 N ATOM 719 CZ ARG A 51 0.511 8.147 -3.953 1.00 0.00 C ATOM 720 NH1 ARG A 51 1.538 7.247 -3.957 1.00 0.00 N ATOM 721 NH2 ARG A 51 -0.766 7.676 -4.069 1.00 0.00 N ATOM 0 H ARG A 51 -0.721 13.003 0.130 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.509 12.765 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.769 12.785 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.311 11.121 -0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.329 11.939 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.888 11.959 -3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.811 9.826 -3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.359 9.504 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.039 10.125 -3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.491 7.560 -3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.352 6.262 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.556 8.314 -3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.930 6.686 -4.254 1.00 0.00 H new ATOM 735 N ILE A 52 -1.434 10.546 -0.549 1.00 0.00 N ATOM 736 CA ILE A 52 -2.109 9.290 -0.442 1.00 0.00 C ATOM 737 C ILE A 52 -3.259 9.467 0.488 1.00 0.00 C ATOM 738 O ILE A 52 -3.091 10.067 1.549 1.00 0.00 O ATOM 739 CB ILE A 52 -1.268 8.176 0.107 1.00 0.00 C ATOM 740 CG1 ILE A 52 0.175 8.147 -0.425 1.00 0.00 C ATOM 741 CG2 ILE A 52 -1.955 6.841 -0.227 1.00 0.00 C ATOM 742 CD1 ILE A 52 1.104 7.249 0.390 1.00 0.00 C ATOM 0 H ILE A 52 -1.193 10.960 0.351 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.397 9.008 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.188 8.343 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.166 7.804 -1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.574 9.162 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.358 6.017 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.946 6.818 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.048 6.740 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.105 7.275 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.142 7.604 1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.728 6.226 0.373 1.00 0.00 H new ATOM 754 N HIS A 53 -4.458 8.965 0.145 1.00 0.00 N ATOM 755 CA HIS A 53 -5.634 9.140 0.942 1.00 0.00 C ATOM 756 C HIS A 53 -6.278 7.841 1.285 1.00 0.00 C ATOM 757 O HIS A 53 -5.937 6.775 0.776 1.00 0.00 O ATOM 758 CB HIS A 53 -6.685 10.003 0.225 1.00 0.00 C ATOM 759 CG HIS A 53 -6.068 11.150 -0.518 1.00 0.00 C ATOM 760 ND1 HIS A 53 -5.673 12.289 0.153 1.00 0.00 N ATOM 761 CD2 HIS A 53 -5.696 11.214 -1.825 1.00 0.00 C ATOM 762 CE1 HIS A 53 -5.067 13.027 -0.757 1.00 0.00 C ATOM 763 NE2 HIS A 53 -5.048 12.423 -1.976 1.00 0.00 N ATOM 0 H HIS A 53 -4.615 8.425 -0.706 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.296 9.636 1.852 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.248 9.382 -0.472 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.397 10.387 0.956 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.872 10.471 -2.588 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.636 13.997 -0.558 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.636 12.791 -2.833 1.00 0.00 H new ATOM 771 N LYS A 54 -7.278 7.905 2.182 1.00 0.00 N ATOM 772 CA LYS A 54 -8.123 6.830 2.601 1.00 0.00 C ATOM 773 C LYS A 54 -8.878 6.140 1.518 1.00 0.00 C ATOM 774 O LYS A 54 -9.522 6.752 0.667 1.00 0.00 O ATOM 775 CB LYS A 54 -9.091 7.351 3.678 1.00 0.00 C ATOM 776 CG LYS A 54 -10.222 6.412 4.103 1.00 0.00 C ATOM 777 CD LYS A 54 -10.994 6.963 5.303 1.00 0.00 C ATOM 778 CE LYS A 54 -12.469 6.556 5.324 1.00 0.00 C ATOM 779 NZ LYS A 54 -13.216 7.354 4.327 1.00 0.00 N ATOM 0 H LYS A 54 -7.513 8.780 2.651 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.456 6.062 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.509 7.604 4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.537 8.277 3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.906 6.264 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.809 5.435 4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.518 6.617 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.926 8.051 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.567 5.493 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.887 6.714 6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.234 7.164 4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.036 8.366 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.904 7.094 3.370 1.00 0.00 H new ATOM 793 N GLY A 55 -8.858 4.796 1.547 1.00 0.00 N ATOM 794 CA GLY A 55 -9.589 3.942 0.663 1.00 0.00 C ATOM 795 C GLY A 55 -9.048 3.764 -0.714 1.00 0.00 C ATOM 796 O GLY A 55 -9.718 3.177 -1.562 1.00 0.00 O ATOM 0 H GLY A 55 -8.301 4.277 2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.662 2.958 1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.604 4.331 0.580 1.00 0.00 H new ATOM 800 N ASP A 56 -7.802 4.195 -0.982 1.00 0.00 N ATOM 801 CA ASP A 56 -7.109 3.842 -2.183 1.00 0.00 C ATOM 802 C ASP A 56 -6.528 2.475 -2.076 1.00 0.00 C ATOM 803 O ASP A 56 -6.482 1.862 -1.011 1.00 0.00 O ATOM 804 CB ASP A 56 -6.018 4.876 -2.508 1.00 0.00 C ATOM 805 CG ASP A 56 -6.604 6.222 -2.905 1.00 0.00 C ATOM 806 OD1 ASP A 56 -7.760 6.280 -3.403 1.00 0.00 O ATOM 807 OD2 ASP A 56 -5.868 7.235 -2.763 1.00 0.00 O ATOM 0 H ASP A 56 -7.267 4.797 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.829 3.841 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.371 5.005 -1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.393 4.500 -3.318 1.00 0.00 H new ATOM 812 N ARG A 57 -6.082 1.904 -3.210 1.00 0.00 N ATOM 813 CA ARG A 57 -5.641 0.548 -3.308 1.00 0.00 C ATOM 814 C ARG A 57 -4.328 0.528 -4.012 1.00 0.00 C ATOM 815 O ARG A 57 -4.185 1.206 -5.027 1.00 0.00 O ATOM 816 CB ARG A 57 -6.684 -0.209 -4.148 1.00 0.00 C ATOM 817 CG ARG A 57 -6.533 -1.726 -4.282 1.00 0.00 C ATOM 818 CD ARG A 57 -7.332 -2.330 -5.438 1.00 0.00 C ATOM 819 NE ARG A 57 -8.716 -1.779 -5.422 1.00 0.00 N ATOM 820 CZ ARG A 57 -9.778 -2.342 -6.067 1.00 0.00 C ATOM 821 NH1 ARG A 57 -9.696 -3.538 -6.719 1.00 0.00 N ATOM 822 NH2 ARG A 57 -10.955 -1.652 -6.117 1.00 0.00 N ATOM 0 H ARG A 57 -6.027 2.409 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.532 0.089 -2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.667 -0.007 -3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.678 0.217 -5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.478 -1.965 -4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.849 -2.196 -3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.848 -2.101 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.360 -3.416 -5.348 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.881 -0.923 -4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.814 -4.049 -6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.517 -3.921 -7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.027 -0.734 -5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.762 -2.054 -6.594 1.00 0.00 H new ATOM 836 N VAL A 58 -3.324 -0.237 -3.546 1.00 0.00 N ATOM 837 CA VAL A 58 -2.065 -0.372 -4.209 1.00 0.00 C ATOM 838 C VAL A 58 -1.924 -1.746 -4.768 1.00 0.00 C ATOM 839 O VAL A 58 -2.424 -2.713 -4.194 1.00 0.00 O ATOM 840 CB VAL A 58 -0.880 -0.023 -3.359 1.00 0.00 C ATOM 841 CG1 VAL A 58 -1.008 1.427 -2.862 1.00 0.00 C ATOM 842 CG2 VAL A 58 -0.715 -0.953 -2.145 1.00 0.00 C ATOM 0 H VAL A 58 -3.391 -0.777 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.070 0.361 -5.016 1.00 0.00 H new ATOM 0 HB VAL A 58 0.002 -0.144 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.145 1.677 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.051 2.102 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.919 1.530 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.160 -0.649 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.603 -0.891 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.585 -1.979 -2.488 1.00 0.00 H new ATOM 852 N LEU A 59 -1.255 -1.883 -5.927 1.00 0.00 N ATOM 853 CA LEU A 59 -1.145 -3.143 -6.594 1.00 0.00 C ATOM 854 C LEU A 59 0.221 -3.454 -7.099 1.00 0.00 C ATOM 855 O LEU A 59 0.807 -4.468 -6.720 1.00 0.00 O ATOM 856 CB LEU A 59 -2.185 -3.257 -7.722 1.00 0.00 C ATOM 857 CG LEU A 59 -2.484 -4.691 -8.191 1.00 0.00 C ATOM 858 CD1 LEU A 59 -3.004 -5.605 -7.069 1.00 0.00 C ATOM 859 CD2 LEU A 59 -3.514 -4.661 -9.333 1.00 0.00 C ATOM 0 H LEU A 59 -0.787 -1.114 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.352 -3.895 -5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.115 -2.800 -7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.836 -2.677 -8.577 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.536 -5.108 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.194 -6.601 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.258 -5.669 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.929 -5.194 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.722 -5.679 -9.662 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.435 -4.198 -8.980 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.115 -4.085 -10.168 1.00 0.00 H new ATOM 871 N ALA A 60 0.809 -2.643 -7.997 1.00 0.00 N ATOM 872 CA ALA A 60 2.163 -2.832 -8.414 1.00 0.00 C ATOM 873 C ALA A 60 3.120 -1.897 -7.758 1.00 0.00 C ATOM 874 O ALA A 60 2.835 -0.709 -7.618 1.00 0.00 O ATOM 875 CB ALA A 60 2.297 -2.787 -9.946 1.00 0.00 C ATOM 0 H ALA A 60 0.342 -1.850 -8.437 1.00 0.00 H new ATOM 0 HA ALA A 60 2.439 -3.832 -8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.340 -2.934 -10.224 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.689 -3.576 -10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.957 -1.818 -10.313 1.00 0.00 H new ATOM 881 N VAL A 61 4.308 -2.373 -7.343 1.00 0.00 N ATOM 882 CA VAL A 61 5.383 -1.556 -6.872 1.00 0.00 C ATOM 883 C VAL A 61 6.604 -1.814 -7.687 1.00 0.00 C ATOM 884 O VAL A 61 7.243 -2.862 -7.604 1.00 0.00 O ATOM 885 CB VAL A 61 5.608 -1.668 -5.394 1.00 0.00 C ATOM 886 CG1 VAL A 61 5.881 -3.103 -4.915 1.00 0.00 C ATOM 887 CG2 VAL A 61 6.731 -0.720 -4.938 1.00 0.00 C ATOM 0 H VAL A 61 4.528 -3.369 -7.335 1.00 0.00 H new ATOM 0 HA VAL A 61 5.106 -0.511 -7.012 1.00 0.00 H new ATOM 0 HB VAL A 61 4.670 -1.368 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.034 -3.103 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.029 -3.737 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.774 -3.487 -5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.876 -0.819 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.656 -0.977 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.457 0.308 -5.174 1.00 0.00 H new ATOM 897 N ASN A 62 6.975 -0.872 -8.572 1.00 0.00 N ATOM 898 CA ASN A 62 8.205 -0.853 -9.300 1.00 0.00 C ATOM 899 C ASN A 62 8.504 -2.061 -10.120 1.00 0.00 C ATOM 900 O ASN A 62 9.630 -2.554 -10.166 1.00 0.00 O ATOM 901 CB ASN A 62 9.351 -0.443 -8.360 1.00 0.00 C ATOM 902 CG ASN A 62 10.521 0.202 -9.088 1.00 0.00 C ATOM 903 OD1 ASN A 62 10.482 1.387 -9.416 1.00 0.00 O ATOM 904 ND2 ASN A 62 11.613 -0.575 -9.319 1.00 0.00 N ATOM 0 H ASN A 62 6.378 -0.075 -8.792 1.00 0.00 H new ATOM 0 HA ASN A 62 8.089 -0.096 -10.075 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.968 0.252 -7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.706 -1.323 -7.824 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.433 -0.178 -9.777 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.612 -1.554 -9.034 1.00 0.00 H new ATOM 911 N GLY A 63 7.493 -2.630 -10.801 1.00 0.00 N ATOM 912 CA GLY A 63 7.638 -3.828 -11.570 1.00 0.00 C ATOM 913 C GLY A 63 7.425 -5.093 -10.813 1.00 0.00 C ATOM 914 O GLY A 63 7.519 -6.181 -11.379 1.00 0.00 O ATOM 0 H GLY A 63 6.548 -2.246 -10.817 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.933 -3.796 -12.400 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.638 -3.845 -12.002 1.00 0.00 H new ATOM 918 N VAL A 64 7.138 -5.022 -9.501 1.00 0.00 N ATOM 919 CA VAL A 64 6.691 -6.118 -8.700 1.00 0.00 C ATOM 920 C VAL A 64 5.245 -5.943 -8.384 1.00 0.00 C ATOM 921 O VAL A 64 4.859 -5.102 -7.575 1.00 0.00 O ATOM 922 CB VAL A 64 7.481 -6.265 -7.433 1.00 0.00 C ATOM 923 CG1 VAL A 64 7.038 -7.516 -6.657 1.00 0.00 C ATOM 924 CG2 VAL A 64 8.977 -6.374 -7.773 1.00 0.00 C ATOM 0 H VAL A 64 7.222 -4.154 -8.972 1.00 0.00 H new ATOM 0 HA VAL A 64 6.843 -7.031 -9.276 1.00 0.00 H new ATOM 0 HB VAL A 64 7.305 -5.389 -6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.624 -7.603 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.981 -7.432 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.195 -8.401 -7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.552 -6.481 -6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.143 -7.244 -8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.297 -5.474 -8.299 1.00 0.00 H new ATOM 934 N SER A 65 4.348 -6.730 -9.007 1.00 0.00 N ATOM 935 CA SER A 65 2.965 -6.761 -8.649 1.00 0.00 C ATOM 936 C SER A 65 2.739 -7.574 -7.421 1.00 0.00 C ATOM 937 O SER A 65 3.099 -8.750 -7.383 1.00 0.00 O ATOM 938 CB SER A 65 2.082 -7.310 -9.783 1.00 0.00 C ATOM 939 OG SER A 65 0.704 -7.068 -9.541 1.00 0.00 O ATOM 0 H SER A 65 4.590 -7.357 -9.775 1.00 0.00 H new ATOM 0 HA SER A 65 2.680 -5.726 -8.457 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.372 -6.848 -10.726 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.250 -8.382 -9.888 1.00 0.00 H new ATOM 0 HG SER A 65 0.165 -7.714 -10.043 1.00 0.00 H new ATOM 945 N LEU A 66 2.128 -7.010 -6.363 1.00 0.00 N ATOM 946 CA LEU A 66 1.820 -7.732 -5.168 1.00 0.00 C ATOM 947 C LEU A 66 0.443 -8.300 -5.181 1.00 0.00 C ATOM 948 O LEU A 66 -0.164 -8.582 -4.149 1.00 0.00 O ATOM 949 CB LEU A 66 2.213 -7.034 -3.855 1.00 0.00 C ATOM 950 CG LEU A 66 1.715 -5.623 -3.503 1.00 0.00 C ATOM 951 CD1 LEU A 66 2.576 -4.511 -4.128 1.00 0.00 C ATOM 952 CD2 LEU A 66 0.205 -5.405 -3.699 1.00 0.00 C ATOM 0 H LEU A 66 1.842 -6.031 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 66 2.493 -8.589 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.898 -7.690 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.302 -6.998 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 66 1.854 -5.547 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.175 -3.538 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.601 -4.600 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.562 -4.607 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.053 -4.382 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.055 -5.578 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.348 -6.100 -3.067 1.00 0.00 H new ATOM 964 N GLU A 67 -0.084 -8.605 -6.380 1.00 0.00 N ATOM 965 CA GLU A 67 -1.220 -9.448 -6.590 1.00 0.00 C ATOM 966 C GLU A 67 -0.949 -10.832 -6.107 1.00 0.00 C ATOM 967 O GLU A 67 0.153 -11.358 -6.245 1.00 0.00 O ATOM 968 CB GLU A 67 -1.609 -9.465 -8.077 1.00 0.00 C ATOM 969 CG GLU A 67 -0.579 -10.122 -8.997 1.00 0.00 C ATOM 970 CD GLU A 67 -0.882 -9.933 -10.476 1.00 0.00 C ATOM 971 OE1 GLU A 67 -0.648 -8.817 -11.013 1.00 0.00 O ATOM 972 OE2 GLU A 67 -1.323 -10.919 -11.125 1.00 0.00 O ATOM 0 H GLU A 67 0.304 -8.243 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.055 -9.044 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.559 -9.988 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.771 -8.439 -8.408 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.406 -9.710 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.534 -11.188 -8.776 1.00 0.00 H new ATOM 979 N GLY A 68 -1.903 -11.481 -5.416 1.00 0.00 N ATOM 980 CA GLY A 68 -1.683 -12.754 -4.802 1.00 0.00 C ATOM 981 C GLY A 68 -1.061 -12.686 -3.449 1.00 0.00 C ATOM 982 O GLY A 68 -1.351 -13.505 -2.579 1.00 0.00 O ATOM 0 H GLY A 68 -2.845 -11.115 -5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.637 -13.276 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.045 -13.352 -5.452 1.00 0.00 H new ATOM 986 N ALA A 69 -0.152 -11.723 -3.216 1.00 0.00 N ATOM 987 CA ALA A 69 0.604 -11.606 -2.008 1.00 0.00 C ATOM 988 C ALA A 69 -0.184 -11.058 -0.869 1.00 0.00 C ATOM 989 O ALA A 69 -1.025 -10.171 -1.005 1.00 0.00 O ATOM 990 CB ALA A 69 1.857 -10.746 -2.238 1.00 0.00 C ATOM 0 H ALA A 69 0.065 -10.996 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 69 0.895 -12.620 -1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.420 -10.668 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.481 -11.209 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.560 -9.750 -2.567 1.00 0.00 H new ATOM 996 N THR A 70 0.083 -11.602 0.332 1.00 0.00 N ATOM 997 CA THR A 70 -0.538 -11.251 1.571 1.00 0.00 C ATOM 998 C THR A 70 0.123 -10.079 2.210 1.00 0.00 C ATOM 999 O THR A 70 1.243 -9.698 1.875 1.00 0.00 O ATOM 1000 CB THR A 70 -0.503 -12.396 2.541 1.00 0.00 C ATOM 1001 OG1 THR A 70 0.747 -13.066 2.482 1.00 0.00 O ATOM 1002 CG2 THR A 70 -1.588 -13.417 2.160 1.00 0.00 C ATOM 0 H THR A 70 0.781 -12.337 0.443 1.00 0.00 H new ATOM 0 HA THR A 70 -1.571 -10.997 1.332 1.00 0.00 H new ATOM 0 HB THR A 70 -0.665 -11.997 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.751 -13.808 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.566 -14.250 2.862 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.567 -12.938 2.196 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.402 -13.787 1.152 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.561 -9.457 3.187 1.00 0.00 N ATOM 1011 CA HIS A 71 -0.207 -8.252 3.871 1.00 0.00 C ATOM 1012 C HIS A 71 1.189 -8.159 4.384 1.00 0.00 C ATOM 1013 O HIS A 71 1.909 -7.215 4.059 1.00 0.00 O ATOM 1014 CB HIS A 71 -1.199 -8.024 5.023 1.00 0.00 C ATOM 1015 CG HIS A 71 -1.087 -6.720 5.756 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.819 -5.506 5.155 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.327 -6.439 7.064 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.909 -4.559 6.128 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -1.223 -5.083 7.298 1.00 0.00 N ATOM 0 H HIS A 71 -1.445 -9.835 3.528 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.261 -7.472 3.111 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.210 -8.105 4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.076 -8.832 5.744 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.597 -5.349 4.172 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.566 -7.176 7.817 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.743 -3.505 5.963 1.00 0.00 H new ATOM 1027 N LYS A 72 1.649 -9.142 5.176 1.00 0.00 N ATOM 1028 CA LYS A 72 2.961 -9.148 5.745 1.00 0.00 C ATOM 1029 C LYS A 72 4.050 -9.323 4.743 1.00 0.00 C ATOM 1030 O LYS A 72 5.158 -8.807 4.880 1.00 0.00 O ATOM 1031 CB LYS A 72 3.030 -10.242 6.825 1.00 0.00 C ATOM 1032 CG LYS A 72 4.288 -10.246 7.693 1.00 0.00 C ATOM 1033 CD LYS A 72 4.570 -8.941 8.442 1.00 0.00 C ATOM 1034 CE LYS A 72 3.507 -8.490 9.447 1.00 0.00 C ATOM 1035 NZ LYS A 72 3.208 -9.563 10.420 1.00 0.00 N ATOM 0 H LYS A 72 1.092 -9.958 5.429 1.00 0.00 H new ATOM 0 HA LYS A 72 3.130 -8.165 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.163 -10.137 7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.946 -11.213 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.205 -11.053 8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.145 -10.475 7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.517 -9.049 8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.704 -8.147 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.854 -7.602 9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.596 -8.210 8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.549 -9.205 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.776 -10.370 9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.089 -9.870 10.880 1.00 0.00 H new ATOM 1049 N GLN A 73 3.754 -10.037 3.642 1.00 0.00 N ATOM 1050 CA GLN A 73 4.647 -10.262 2.549 1.00 0.00 C ATOM 1051 C GLN A 73 4.810 -9.036 1.717 1.00 0.00 C ATOM 1052 O GLN A 73 5.917 -8.621 1.379 1.00 0.00 O ATOM 1053 CB GLN A 73 4.090 -11.433 1.722 1.00 0.00 C ATOM 1054 CG GLN A 73 5.105 -12.082 0.779 1.00 0.00 C ATOM 1055 CD GLN A 73 6.248 -12.706 1.566 1.00 0.00 C ATOM 1056 OE1 GLN A 73 7.375 -12.216 1.593 1.00 0.00 O ATOM 1057 NE2 GLN A 73 5.936 -13.820 2.280 1.00 0.00 N ATOM 0 H GLN A 73 2.845 -10.480 3.508 1.00 0.00 H new ATOM 0 HA GLN A 73 5.640 -10.509 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.708 -12.193 2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.244 -11.077 1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.613 -12.845 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.497 -11.335 0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.992 -14.205 2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.646 -14.271 2.857 1.00 0.00 H new ATOM 1066 N ALA A 74 3.682 -8.384 1.379 1.00 0.00 N ATOM 1067 CA ALA A 74 3.599 -7.172 0.624 1.00 0.00 C ATOM 1068 C ALA A 74 4.155 -5.973 1.311 1.00 0.00 C ATOM 1069 O ALA A 74 4.852 -5.170 0.691 1.00 0.00 O ATOM 1070 CB ALA A 74 2.122 -6.918 0.280 1.00 0.00 C ATOM 0 H ALA A 74 2.763 -8.730 1.654 1.00 0.00 H new ATOM 0 HA ALA A 74 4.214 -7.315 -0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.036 -5.997 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.737 -7.751 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.545 -6.825 1.200 1.00 0.00 H new ATOM 1076 N VAL A 75 3.914 -5.786 2.621 1.00 0.00 N ATOM 1077 CA VAL A 75 4.423 -4.668 3.353 1.00 0.00 C ATOM 1078 C VAL A 75 5.912 -4.639 3.415 1.00 0.00 C ATOM 1079 O VAL A 75 6.528 -3.579 3.326 1.00 0.00 O ATOM 1080 CB VAL A 75 3.793 -4.502 4.704 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.347 -5.469 5.764 1.00 0.00 C ATOM 1082 CG2 VAL A 75 3.933 -3.043 5.171 1.00 0.00 C ATOM 0 H VAL A 75 3.353 -6.426 3.184 1.00 0.00 H new ATOM 0 HA VAL A 75 4.124 -3.793 2.775 1.00 0.00 H new ATOM 0 HB VAL A 75 2.739 -4.755 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.846 -5.292 6.716 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.170 -6.497 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.418 -5.305 5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.473 -2.930 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.989 -2.780 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.436 -2.384 4.459 1.00 0.00 H new ATOM 1092 N GLU A 76 6.574 -5.809 3.470 1.00 0.00 N ATOM 1093 CA GLU A 76 7.997 -5.931 3.400 1.00 0.00 C ATOM 1094 C GLU A 76 8.574 -5.491 2.099 1.00 0.00 C ATOM 1095 O GLU A 76 9.626 -4.856 2.054 1.00 0.00 O ATOM 1096 CB GLU A 76 8.399 -7.379 3.730 1.00 0.00 C ATOM 1097 CG GLU A 76 9.901 -7.559 3.959 1.00 0.00 C ATOM 1098 CD GLU A 76 10.232 -8.972 4.416 1.00 0.00 C ATOM 1099 OE1 GLU A 76 9.854 -9.347 5.558 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.913 -9.707 3.652 1.00 0.00 O ATOM 0 H GLU A 76 6.098 -6.706 3.567 1.00 0.00 H new ATOM 0 HA GLU A 76 8.418 -5.251 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.862 -7.702 4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.083 -8.030 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.439 -7.339 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.244 -6.844 4.707 1.00 0.00 H new ATOM 1107 N THR A 77 7.871 -5.750 0.981 1.00 0.00 N ATOM 1108 CA THR A 77 8.200 -5.312 -0.340 1.00 0.00 C ATOM 1109 C THR A 77 8.083 -3.835 -0.503 1.00 0.00 C ATOM 1110 O THR A 77 8.884 -3.206 -1.193 1.00 0.00 O ATOM 1111 CB THR A 77 7.370 -6.003 -1.380 1.00 0.00 C ATOM 1112 OG1 THR A 77 7.482 -7.413 -1.258 1.00 0.00 O ATOM 1113 CG2 THR A 77 7.796 -5.675 -2.821 1.00 0.00 C ATOM 0 H THR A 77 7.014 -6.303 1.003 1.00 0.00 H new ATOM 0 HA THR A 77 9.245 -5.583 -0.486 1.00 0.00 H new ATOM 0 HB THR A 77 6.355 -5.647 -1.204 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.987 -7.713 -0.467 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.153 -6.209 -3.521 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.706 -4.602 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.831 -5.981 -2.973 1.00 0.00 H new ATOM 1121 N LEU A 78 7.109 -3.195 0.168 1.00 0.00 N ATOM 1122 CA LEU A 78 6.909 -1.779 0.124 1.00 0.00 C ATOM 1123 C LEU A 78 7.880 -1.049 0.986 1.00 0.00 C ATOM 1124 O LEU A 78 8.385 0.012 0.620 1.00 0.00 O ATOM 1125 CB LEU A 78 5.487 -1.417 0.586 1.00 0.00 C ATOM 1126 CG LEU A 78 4.359 -1.925 -0.326 1.00 0.00 C ATOM 1127 CD1 LEU A 78 2.995 -1.749 0.362 1.00 0.00 C ATOM 1128 CD2 LEU A 78 4.350 -1.217 -1.692 1.00 0.00 C ATOM 0 H LEU A 78 6.437 -3.680 0.762 1.00 0.00 H new ATOM 0 HA LEU A 78 7.060 -1.478 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.333 -1.819 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.411 -0.332 0.663 1.00 0.00 H new ATOM 0 HG LEU A 78 4.545 -2.984 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.206 -2.113 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.981 -2.316 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.830 -0.693 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.535 -1.610 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.209 -0.146 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.299 -1.392 -2.199 1.00 0.00 H new ATOM 1140 N ARG A 79 8.219 -1.603 2.164 1.00 0.00 N ATOM 1141 CA ARG A 79 9.232 -1.106 3.042 1.00 0.00 C ATOM 1142 C ARG A 79 10.595 -1.132 2.439 1.00 0.00 C ATOM 1143 O ARG A 79 11.297 -0.122 2.420 1.00 0.00 O ATOM 1144 CB ARG A 79 9.226 -1.893 4.364 1.00 0.00 C ATOM 1145 CG ARG A 79 8.049 -1.515 5.265 1.00 0.00 C ATOM 1146 CD ARG A 79 7.890 -2.412 6.495 1.00 0.00 C ATOM 1147 NE ARG A 79 6.895 -1.755 7.387 1.00 0.00 N ATOM 1148 CZ ARG A 79 6.756 -2.089 8.703 1.00 0.00 C ATOM 1149 NH1 ARG A 79 7.302 -3.228 9.220 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.065 -1.243 9.522 1.00 0.00 N ATOM 0 H ARG A 79 7.762 -2.442 2.522 1.00 0.00 H new ATOM 0 HA ARG A 79 8.991 -0.060 3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.186 -2.961 4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.160 -1.711 4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.174 -0.484 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.130 -1.553 4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.551 -3.407 6.206 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.844 -2.537 7.007 1.00 0.00 H new ATOM 0 HE ARG A 79 6.294 -1.027 7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.832 -3.858 8.618 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.180 -3.449 10.208 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.666 -0.383 9.147 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.948 -1.471 10.509 1.00 0.00 H new ATOM 1164 N ASN A 80 11.031 -2.269 1.868 1.00 0.00 N ATOM 1165 CA ASN A 80 12.300 -2.373 1.218 1.00 0.00 C ATOM 1166 C ASN A 80 12.237 -1.931 -0.203 1.00 0.00 C ATOM 1167 O ASN A 80 12.537 -2.674 -1.137 1.00 0.00 O ATOM 1168 CB ASN A 80 12.873 -3.797 1.327 1.00 0.00 C ATOM 1169 CG ASN A 80 13.167 -4.114 2.786 1.00 0.00 C ATOM 1170 OD1 ASN A 80 14.159 -3.665 3.359 1.00 0.00 O ATOM 1171 ND2 ASN A 80 12.274 -4.915 3.425 1.00 0.00 N ATOM 0 H ASN A 80 10.491 -3.134 1.858 1.00 0.00 H new ATOM 0 HA ASN A 80 12.978 -1.697 1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.163 -4.518 0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 80 13.784 -3.880 0.735 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.417 -5.158 4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.460 -5.273 2.924 1.00 0.00 H new ATOM 1178 N THR A 81 11.870 -0.652 -0.403 1.00 0.00 N ATOM 1179 CA THR A 81 11.943 0.093 -1.621 1.00 0.00 C ATOM 1180 C THR A 81 13.172 0.933 -1.574 1.00 0.00 C ATOM 1181 O THR A 81 14.084 0.769 -2.383 1.00 0.00 O ATOM 1182 CB THR A 81 10.746 0.964 -1.867 1.00 0.00 C ATOM 1183 OG1 THR A 81 10.290 1.607 -0.685 1.00 0.00 O ATOM 1184 CG2 THR A 81 9.590 0.092 -2.386 1.00 0.00 C ATOM 0 H THR A 81 11.488 -0.091 0.358 1.00 0.00 H new ATOM 0 HA THR A 81 11.970 -0.620 -2.445 1.00 0.00 H new ATOM 0 HB THR A 81 11.047 1.724 -2.588 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.613 1.048 -0.249 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.716 0.717 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.889 -0.393 -3.315 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.345 -0.667 -1.643 1.00 0.00 H new ATOM 1192 N GLY A 82 13.254 1.846 -0.590 1.00 0.00 N ATOM 1193 CA GLY A 82 14.475 2.445 -0.147 1.00 0.00 C ATOM 1194 C GLY A 82 14.549 3.911 -0.406 1.00 0.00 C ATOM 1195 O GLY A 82 13.971 4.724 0.314 1.00 0.00 O ATOM 0 H GLY A 82 12.436 2.181 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.590 2.267 0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.312 1.954 -0.644 1.00 0.00 H new ATOM 1199 N GLN A 83 15.326 4.308 -1.429 1.00 0.00 N ATOM 1200 CA GLN A 83 15.551 5.682 -1.756 1.00 0.00 C ATOM 1201 C GLN A 83 14.450 6.272 -2.569 1.00 0.00 C ATOM 1202 O GLN A 83 13.888 7.313 -2.232 1.00 0.00 O ATOM 1203 CB GLN A 83 16.906 5.852 -2.462 1.00 0.00 C ATOM 1204 CG GLN A 83 17.348 7.311 -2.591 1.00 0.00 C ATOM 1205 CD GLN A 83 18.763 7.414 -3.142 1.00 0.00 C ATOM 1206 OE1 GLN A 83 19.361 6.451 -3.620 1.00 0.00 O ATOM 1207 NE2 GLN A 83 19.344 8.641 -3.071 1.00 0.00 N ATOM 0 H GLN A 83 15.811 3.656 -2.046 1.00 0.00 H new ATOM 0 HA GLN A 83 15.569 6.233 -0.815 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.666 5.298 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.847 5.409 -3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.660 7.845 -3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.299 7.796 -1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.830 9.426 -2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.294 8.776 -3.418 1.00 0.00 H new ATOM 1216 N VAL A 84 14.105 5.614 -3.690 1.00 0.00 N ATOM 1217 CA VAL A 84 13.132 6.066 -4.636 1.00 0.00 C ATOM 1218 C VAL A 84 11.951 5.158 -4.602 1.00 0.00 C ATOM 1219 O VAL A 84 12.077 3.962 -4.338 1.00 0.00 O ATOM 1220 CB VAL A 84 13.676 6.186 -6.028 1.00 0.00 C ATOM 1221 CG1 VAL A 84 14.728 7.308 -6.047 1.00 0.00 C ATOM 1222 CG2 VAL A 84 14.291 4.870 -6.529 1.00 0.00 C ATOM 0 H VAL A 84 14.526 4.722 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 84 12.834 7.073 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 84 12.852 6.422 -6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.134 7.409 -7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.263 8.247 -5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.533 7.064 -5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.671 5.008 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 84 15.109 4.577 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.530 4.090 -6.530 1.00 0.00 H new ATOM 1232 N VAL A 85 10.742 5.697 -4.834 1.00 0.00 N ATOM 1233 CA VAL A 85 9.510 4.987 -4.673 1.00 0.00 C ATOM 1234 C VAL A 85 8.691 5.151 -5.907 1.00 0.00 C ATOM 1235 O VAL A 85 8.388 6.275 -6.305 1.00 0.00 O ATOM 1236 CB VAL A 85 8.742 5.490 -3.486 1.00 0.00 C ATOM 1237 CG1 VAL A 85 7.403 4.749 -3.330 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.572 5.307 -2.205 1.00 0.00 C ATOM 0 H VAL A 85 10.616 6.660 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 85 9.734 3.934 -4.506 1.00 0.00 H new ATOM 0 HB VAL A 85 8.537 6.548 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.871 5.137 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.797 4.900 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.590 3.684 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.006 5.675 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.796 4.250 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.503 5.867 -2.292 1.00 0.00 H new ATOM 1248 N HIS A 86 8.274 4.055 -6.564 1.00 0.00 N ATOM 1249 CA HIS A 86 7.347 4.108 -7.651 1.00 0.00 C ATOM 1250 C HIS A 86 6.322 3.035 -7.516 1.00 0.00 C ATOM 1251 O HIS A 86 6.651 1.853 -7.439 1.00 0.00 O ATOM 1252 CB HIS A 86 8.002 3.929 -9.031 1.00 0.00 C ATOM 1253 CG HIS A 86 7.028 4.161 -10.149 1.00 0.00 C ATOM 1254 ND1 HIS A 86 6.604 5.455 -10.367 1.00 0.00 N ATOM 1255 CD2 HIS A 86 6.351 3.297 -10.952 1.00 0.00 C ATOM 1256 CE1 HIS A 86 5.676 5.366 -11.302 1.00 0.00 C ATOM 1257 NE2 HIS A 86 5.484 4.077 -11.691 1.00 0.00 N ATOM 0 H HIS A 86 8.587 3.112 -6.335 1.00 0.00 H new ATOM 0 HA HIS A 86 6.907 5.104 -7.598 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.838 4.622 -9.128 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.412 2.922 -9.110 1.00 0.00 H new ATOM 0 HD2 HIS A 86 6.467 2.224 -11.001 1.00 0.00 H new ATOM 0 HE1 HIS A 86 5.137 6.210 -11.707 1.00 0.00 H new ATOM 0 HE2 HIS A 86 4.824 3.748 -12.396 1.00 0.00 H new ATOM 1265 N LEU A 87 5.025 3.392 -7.504 1.00 0.00 N ATOM 1266 CA LEU A 87 3.993 2.411 -7.371 1.00 0.00 C ATOM 1267 C LEU A 87 2.736 2.789 -8.077 1.00 0.00 C ATOM 1268 O LEU A 87 2.506 3.943 -8.433 1.00 0.00 O ATOM 1269 CB LEU A 87 3.753 1.970 -5.918 1.00 0.00 C ATOM 1270 CG LEU A 87 3.033 2.913 -4.939 1.00 0.00 C ATOM 1271 CD1 LEU A 87 2.937 2.194 -3.583 1.00 0.00 C ATOM 1272 CD2 LEU A 87 3.741 4.267 -4.758 1.00 0.00 C ATOM 0 H LEU A 87 4.693 4.353 -7.586 1.00 0.00 H new ATOM 0 HA LEU A 87 4.370 1.526 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.185 1.040 -5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.725 1.734 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 87 2.050 3.141 -5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.430 2.838 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.374 1.268 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.939 1.965 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.178 4.881 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.747 4.103 -4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.800 4.778 -5.719 1.00 0.00 H new ATOM 1284 N LEU A 88 1.869 1.785 -8.302 1.00 0.00 N ATOM 1285 CA LEU A 88 0.691 1.864 -9.109 1.00 0.00 C ATOM 1286 C LEU A 88 -0.461 1.578 -8.208 1.00 0.00 C ATOM 1287 O LEU A 88 -0.509 0.579 -7.492 1.00 0.00 O ATOM 1288 CB LEU A 88 0.613 0.791 -10.207 1.00 0.00 C ATOM 1289 CG LEU A 88 1.363 1.066 -11.522 1.00 0.00 C ATOM 1290 CD1 LEU A 88 2.894 1.054 -11.380 1.00 0.00 C ATOM 1291 CD2 LEU A 88 0.910 0.055 -12.589 1.00 0.00 C ATOM 0 H LEU A 88 2.000 0.860 -7.894 1.00 0.00 H new ATOM 0 HA LEU A 88 0.691 2.846 -9.581 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.992 -0.143 -9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.438 0.630 -10.446 1.00 0.00 H new ATOM 0 HG LEU A 88 1.106 2.081 -11.827 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.351 1.256 -12.349 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.199 1.821 -10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.219 0.077 -11.022 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.440 0.248 -13.522 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.131 -0.957 -12.249 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.163 0.156 -12.754 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.443 2.497 -8.245 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.600 2.493 -7.405 1.00 0.00 C ATOM 1305 C LEU A 89 -3.823 2.365 -8.247 1.00 0.00 C ATOM 1306 O LEU A 89 -3.824 2.681 -9.435 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.746 3.806 -6.617 1.00 0.00 C ATOM 1308 CG LEU A 89 -1.571 4.143 -5.685 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -0.510 5.039 -6.348 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -2.136 4.794 -4.411 1.00 0.00 C ATOM 0 H LEU A 89 -1.428 3.283 -8.895 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.485 1.659 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.873 4.624 -7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.658 3.755 -6.022 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.050 3.217 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.292 5.240 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.102 4.533 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.968 5.980 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.317 5.041 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.675 5.703 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.816 4.099 -3.918 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.931 1.924 -7.626 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.248 2.026 -8.174 1.00 0.00 C ATOM 1324 C GLU A 90 -7.045 2.844 -7.217 1.00 0.00 C ATOM 1325 O GLU A 90 -7.096 2.551 -6.024 1.00 0.00 O ATOM 1326 CB GLU A 90 -6.883 0.639 -8.366 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.169 0.667 -9.196 1.00 0.00 C ATOM 1328 CD GLU A 90 -8.839 -0.698 -9.257 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -8.136 -1.738 -9.372 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -10.098 -0.729 -9.228 1.00 0.00 O ATOM 0 H GLU A 90 -4.909 1.480 -6.708 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.218 2.491 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.161 -0.019 -8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.100 0.209 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.861 1.392 -8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.940 1.004 -10.207 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.693 3.925 -7.685 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.455 4.788 -6.836 1.00 0.00 C ATOM 1339 C LYS A 91 -9.679 4.130 -6.297 1.00 0.00 C ATOM 1340 O LYS A 91 -10.248 3.232 -6.917 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.780 6.118 -7.536 1.00 0.00 C ATOM 1342 CG LYS A 91 -9.435 7.146 -6.610 1.00 0.00 C ATOM 1343 CD LYS A 91 -9.423 8.590 -7.116 1.00 0.00 C ATOM 1344 CE LYS A 91 -10.151 9.498 -6.123 1.00 0.00 C ATOM 1345 NZ LYS A 91 -10.008 10.931 -6.467 1.00 0.00 N ATOM 0 H LYS A 91 -7.688 4.205 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.828 5.014 -5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.861 6.540 -7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.443 5.924 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.469 6.848 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.930 7.113 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.396 8.930 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.904 8.646 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.209 9.235 -6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.759 9.326 -5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.517 11.508 -5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.001 11.190 -6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.406 11.102 -7.413 1.00 0.00 H new ATOM 1359 N GLY A 92 -10.095 4.492 -5.071 1.00 0.00 N ATOM 1360 CA GLY A 92 -11.184 3.878 -4.376 1.00 0.00 C ATOM 1361 C GLY A 92 -12.557 4.319 -4.750 1.00 0.00 C ATOM 1362 O GLY A 92 -12.931 4.412 -5.919 1.00 0.00 O ATOM 0 H GLY A 92 -9.654 5.244 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.120 2.801 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.049 4.056 -3.309 1.00 0.00 H new ATOM 1560 N GLN B 11 -3.865 -8.954 11.039 1.00 0.00 N ATOM 1561 CA GLN B 11 -3.409 -7.849 11.823 1.00 0.00 C ATOM 1562 C GLN B 11 -3.322 -6.585 11.039 1.00 0.00 C ATOM 1563 O GLN B 11 -4.016 -6.413 10.038 1.00 0.00 O ATOM 1564 CB GLN B 11 -2.048 -8.167 12.464 1.00 0.00 C ATOM 1565 CG GLN B 11 -2.034 -9.483 13.245 1.00 0.00 C ATOM 1566 CD GLN B 11 -0.732 -9.671 14.012 1.00 0.00 C ATOM 1567 OE1 GLN B 11 0.141 -8.806 14.072 1.00 0.00 O ATOM 1568 NE2 GLN B 11 -0.596 -10.866 14.646 1.00 0.00 N ATOM 0 HA GLN B 11 -4.152 -7.693 12.605 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -1.288 -8.209 11.683 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -1.772 -7.353 13.134 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -2.872 -9.501 13.942 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -2.174 -10.316 12.556 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -1.335 -11.566 14.580 1.00 0.00 H new ATOM 0 HE22 GLN B 11 0.245 -11.063 15.188 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.514 -5.603 11.478 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.372 -4.324 10.853 1.00 0.00 C ATOM 1579 C VAL B 12 -0.941 -3.920 10.770 1.00 0.00 C ATOM 1580 O VAL B 12 -0.102 -4.335 11.568 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.146 -3.222 11.512 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -4.645 -3.377 11.206 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -2.905 -3.188 13.031 1.00 0.00 C ATOM 0 H VAL B 12 -1.932 -5.706 12.309 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.791 -4.460 9.856 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.794 -2.274 11.105 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.200 -2.572 11.689 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.803 -3.331 10.128 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.996 -4.337 11.584 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.483 -2.376 13.473 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.216 -4.136 13.470 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.845 -3.028 13.228 1.00 0.00 H new ATOM 1593 N SER B 13 -0.614 -3.080 9.771 1.00 0.00 N ATOM 1594 CA SER B 13 0.703 -2.590 9.509 1.00 0.00 C ATOM 1595 C SER B 13 0.660 -1.136 9.188 1.00 0.00 C ATOM 1596 O SER B 13 -0.405 -0.527 9.117 1.00 0.00 O ATOM 1597 CB SER B 13 1.379 -3.271 8.307 1.00 0.00 C ATOM 1598 OG SER B 13 1.376 -4.685 8.440 1.00 0.00 O ATOM 0 H SER B 13 -1.306 -2.724 9.112 1.00 0.00 H new ATOM 0 HA SER B 13 1.271 -2.802 10.415 1.00 0.00 H new ATOM 0 HB2 SER B 13 0.862 -2.990 7.390 1.00 0.00 H new ATOM 0 HB3 SER B 13 2.405 -2.915 8.216 1.00 0.00 H new ATOM 0 HG SER B 13 0.488 -5.033 8.214 1.00 0.00 H new ATOM 1604 N ALA B 14 1.839 -0.529 8.956 1.00 0.00 N ATOM 1605 CA ALA B 14 1.977 0.779 8.397 1.00 0.00 C ATOM 1606 C ALA B 14 3.271 0.846 7.660 1.00 0.00 C ATOM 1607 O ALA B 14 4.234 0.165 8.007 1.00 0.00 O ATOM 1608 CB ALA B 14 1.934 1.868 9.483 1.00 0.00 C ATOM 0 H ALA B 14 2.734 -0.970 9.168 1.00 0.00 H new ATOM 0 HA ALA B 14 1.142 0.961 7.720 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.042 2.849 9.019 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.981 1.819 10.010 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.748 1.709 10.190 1.00 0.00 H new ATOM 1614 N VAL B 15 3.329 1.659 6.591 1.00 0.00 N ATOM 1615 CA VAL B 15 4.519 1.950 5.851 1.00 0.00 C ATOM 1616 C VAL B 15 4.289 3.315 5.217 1.00 0.00 C ATOM 1617 O VAL B 15 3.143 3.606 4.780 1.00 0.00 O ATOM 1618 CB VAL B 15 4.923 0.890 4.870 1.00 0.00 C ATOM 1619 CG1 VAL B 15 3.807 0.533 3.875 1.00 0.00 C ATOM 1620 CG2 VAL B 15 6.195 1.295 4.104 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.241 4.139 5.200 1.00 0.00 O ATOM 0 H VAL B 15 2.506 2.137 6.224 1.00 0.00 H new ATOM 0 HA VAL B 15 5.380 1.966 6.519 1.00 0.00 H new ATOM 0 HB VAL B 15 5.127 -0.001 5.463 1.00 0.00 H new ATOM 0 HG11 VAL B 15 4.162 -0.239 3.192 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.938 0.164 4.420 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.529 1.420 3.306 1.00 0.00 H new ATOM 0 HG21 VAL B 15 6.463 0.507 3.401 1.00 0.00 H new ATOM 0 HG22 VAL B 15 6.012 2.221 3.559 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.012 1.445 4.809 1.00 0.00 H new