USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 536 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 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 23 TYR OH : rot 168:sc= 0.764 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -160:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 49 SER OG : rot 36:sc= 0.106 USER MOD Single : A 50 THR OG1 : rot -70:sc= 0.829 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0202 K(o=-0.02,f=-2.4!) USER MOD Single : A 60 SER OG : rot 147:sc= 0.778 USER MOD Single : A 66 ASN : amide:sc= -0.0832 K(o=-0.083,f=-0.92) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 73 SER OG : rot 130:sc= 0.544 USER MOD Single : A 84 LYS NZ :NH3+ 179:sc= 0.895 (180deg=0.895) USER MOD Single : A 85 SER OG : rot -68:sc= 1.04 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LEU A 20 -3.474 1.150 2.553 1.00 0.00 N ATOM 79 CA LEU A 20 -3.547 -0.277 2.263 1.00 0.00 C ATOM 80 C LEU A 20 -3.087 -1.105 3.455 1.00 0.00 C ATOM 81 O LEU A 20 -3.658 -2.156 3.749 1.00 0.00 O ATOM 82 CB LEU A 20 -2.704 -0.609 1.024 1.00 0.00 C ATOM 83 CG LEU A 20 -3.256 -0.073 -0.303 1.00 0.00 C ATOM 84 CD1 LEU A 20 -2.234 -0.278 -1.413 1.00 0.00 C ATOM 85 CD2 LEU A 20 -4.561 -0.782 -0.634 1.00 0.00 C ATOM 0 HA LEU A 20 -4.588 -0.529 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.700 -0.210 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.609 -1.692 0.949 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.451 0.995 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.634 0.105 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.316 0.255 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.019 -1.341 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.953 -0.401 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.381 -1.853 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.285 -0.600 0.160 1.00 0.00 H new ATOM 97 N GLN A 21 -2.052 -0.629 4.138 1.00 0.00 N ATOM 98 CA GLN A 21 -1.521 -1.318 5.306 1.00 0.00 C ATOM 99 C GLN A 21 -2.558 -1.393 6.420 1.00 0.00 C ATOM 100 O GLN A 21 -2.714 -2.428 7.066 1.00 0.00 O ATOM 101 CB GLN A 21 -0.261 -0.615 5.818 1.00 0.00 C ATOM 102 CG GLN A 21 0.425 -1.327 6.971 1.00 0.00 C ATOM 103 CD GLN A 21 1.690 -0.619 7.418 1.00 0.00 C ATOM 104 OE1 GLN A 21 2.007 0.475 6.942 1.00 0.00 O ATOM 105 NE2 GLN A 21 2.423 -1.242 8.334 1.00 0.00 N ATOM 0 H GLN A 21 -1.563 0.234 3.901 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.266 -2.333 5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.446 -0.516 4.995 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -0.525 0.394 6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.265 -1.398 7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.669 -2.346 6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.122 -2.145 8.700 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.286 -0.817 8.672 1.00 0.00 H new ATOM 114 N GLU A 22 -3.261 -0.289 6.640 1.00 0.00 N ATOM 115 CA GLU A 22 -4.274 -0.222 7.687 1.00 0.00 C ATOM 116 C GLU A 22 -5.454 -1.131 7.370 1.00 0.00 C ATOM 117 O GLU A 22 -6.016 -1.767 8.262 1.00 0.00 O ATOM 118 CB GLU A 22 -4.756 1.219 7.876 1.00 0.00 C ATOM 119 CG GLU A 22 -3.718 2.155 8.480 1.00 0.00 C ATOM 120 CD GLU A 22 -4.221 3.571 8.529 1.00 0.00 C ATOM 121 OE1 GLU A 22 -5.304 3.813 8.051 1.00 0.00 O ATOM 122 OE2 GLU A 22 -3.577 4.388 9.142 1.00 0.00 O ATOM 0 H GLU A 22 -3.148 0.573 6.107 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.817 -0.567 8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.066 1.615 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.638 1.213 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.467 1.821 9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.801 2.113 7.892 1.00 0.00 H new ATOM 129 N TYR A 23 -5.826 -1.186 6.096 1.00 0.00 N ATOM 130 CA TYR A 23 -6.907 -2.059 5.651 1.00 0.00 C ATOM 131 C TYR A 23 -6.600 -3.518 5.964 1.00 0.00 C ATOM 132 O TYR A 23 -7.426 -4.225 6.541 1.00 0.00 O ATOM 133 CB TYR A 23 -7.151 -1.885 4.151 1.00 0.00 C ATOM 134 CG TYR A 23 -8.113 -2.895 3.565 1.00 0.00 C ATOM 135 CD1 TYR A 23 -9.481 -2.769 3.754 1.00 0.00 C ATOM 136 CD2 TYR A 23 -7.649 -3.971 2.823 1.00 0.00 C ATOM 137 CE1 TYR A 23 -10.364 -3.689 3.222 1.00 0.00 C ATOM 138 CE2 TYR A 23 -8.522 -4.896 2.285 1.00 0.00 C ATOM 139 CZ TYR A 23 -9.879 -4.752 2.487 1.00 0.00 C ATOM 140 OH TYR A 23 -10.754 -5.671 1.953 1.00 0.00 O ATOM 0 H TYR A 23 -5.395 -0.636 5.353 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.809 -1.776 6.193 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.538 -0.882 3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.198 -1.959 3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.863 -1.937 4.327 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.587 -4.087 2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.426 -3.577 3.380 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.144 -5.728 1.709 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.279 -6.242 1.314 1.00 0.00 H new ATOM 150 N ALA A 24 -5.409 -3.963 5.581 1.00 0.00 N ATOM 151 CA ALA A 24 -4.987 -5.337 5.828 1.00 0.00 C ATOM 152 C ALA A 24 -5.023 -5.664 7.315 1.00 0.00 C ATOM 153 O ALA A 24 -5.610 -6.664 7.726 1.00 0.00 O ATOM 154 CB ALA A 24 -3.595 -5.574 5.265 1.00 0.00 C ATOM 0 H ALA A 24 -4.717 -3.391 5.097 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.687 -6.001 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.295 -6.604 5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.602 -5.393 4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.889 -4.895 5.743 1.00 0.00 H new ATOM 160 N GLN A 25 -4.391 -4.815 8.119 1.00 0.00 N ATOM 161 CA GLN A 25 -4.268 -5.063 9.550 1.00 0.00 C ATOM 162 C GLN A 25 -5.629 -5.038 10.232 1.00 0.00 C ATOM 163 O GLN A 25 -5.872 -5.787 11.180 1.00 0.00 O ATOM 164 CB GLN A 25 -3.347 -4.024 10.196 1.00 0.00 C ATOM 165 CG GLN A 25 -1.880 -4.178 9.831 1.00 0.00 C ATOM 166 CD GLN A 25 -1.013 -3.100 10.450 1.00 0.00 C ATOM 167 OE1 GLN A 25 -1.514 -2.176 11.097 1.00 0.00 O ATOM 168 NE2 GLN A 25 0.296 -3.209 10.254 1.00 0.00 N ATOM 0 H GLN A 25 -3.956 -3.948 7.803 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.836 -6.055 9.678 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.680 -3.028 9.903 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.449 -4.089 11.279 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.528 -5.156 10.159 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.773 -4.148 8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.667 -3.990 9.712 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.930 -2.512 10.645 1.00 0.00 H new ATOM 177 N LYS A 26 -6.514 -4.173 9.748 1.00 0.00 N ATOM 178 CA LYS A 26 -7.848 -4.042 10.319 1.00 0.00 C ATOM 179 C LYS A 26 -8.539 -5.394 10.427 1.00 0.00 C ATOM 180 O LYS A 26 -9.262 -5.659 11.387 1.00 0.00 O ATOM 181 CB LYS A 26 -8.697 -3.084 9.481 1.00 0.00 C ATOM 182 CG LYS A 26 -10.113 -2.879 10.002 1.00 0.00 C ATOM 183 CD LYS A 26 -10.869 -1.859 9.163 1.00 0.00 C ATOM 184 CE LYS A 26 -12.292 -1.670 9.670 1.00 0.00 C ATOM 185 NZ LYS A 26 -13.048 -0.686 8.849 1.00 0.00 N ATOM 0 H LYS A 26 -6.330 -3.552 8.960 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.740 -3.635 11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.196 -2.117 9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.750 -3.463 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.647 -3.829 9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.076 -2.545 11.039 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.343 -0.905 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.892 -2.185 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.812 -2.628 9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.266 -1.334 10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.012 -0.586 9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.566 0.235 8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.095 -1.018 7.865 1.00 0.00 H new ATOM 199 N TYR A 27 -8.309 -6.251 9.436 1.00 0.00 N ATOM 200 CA TYR A 27 -9.002 -7.531 9.354 1.00 0.00 C ATOM 201 C TYR A 27 -8.041 -8.693 9.563 1.00 0.00 C ATOM 202 O TYR A 27 -8.340 -9.832 9.204 1.00 0.00 O ATOM 203 CB TYR A 27 -9.708 -7.670 8.002 1.00 0.00 C ATOM 204 CG TYR A 27 -10.728 -6.588 7.728 1.00 0.00 C ATOM 205 CD1 TYR A 27 -11.959 -6.594 8.365 1.00 0.00 C ATOM 206 CD2 TYR A 27 -10.457 -5.564 6.832 1.00 0.00 C ATOM 207 CE1 TYR A 27 -12.896 -5.608 8.119 1.00 0.00 C ATOM 208 CE2 TYR A 27 -11.385 -4.572 6.578 1.00 0.00 C ATOM 209 CZ TYR A 27 -12.604 -4.598 7.224 1.00 0.00 C ATOM 210 OH TYR A 27 -13.533 -3.614 6.975 1.00 0.00 O ATOM 0 H TYR A 27 -7.647 -6.081 8.679 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.747 -7.559 10.149 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.959 -7.659 7.210 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.202 -8.641 7.960 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.190 -7.383 9.066 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.504 -5.542 6.324 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.851 -5.628 8.624 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.158 -3.781 5.878 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.170 -2.979 6.322 1.00 0.00 H new ATOM 220 N LYS A 28 -6.884 -8.399 10.147 1.00 0.00 N ATOM 221 CA LYS A 28 -5.875 -9.419 10.405 1.00 0.00 C ATOM 222 C LYS A 28 -5.510 -10.168 9.130 1.00 0.00 C ATOM 223 O LYS A 28 -5.221 -11.365 9.161 1.00 0.00 O ATOM 224 CB LYS A 28 -6.366 -10.402 11.469 1.00 0.00 C ATOM 225 CG LYS A 28 -6.709 -9.761 12.808 1.00 0.00 C ATOM 226 CD LYS A 28 -7.106 -10.807 13.837 1.00 0.00 C ATOM 227 CE LYS A 28 -7.546 -10.162 15.143 1.00 0.00 C ATOM 228 NZ LYS A 28 -7.971 -11.173 16.148 1.00 0.00 N ATOM 0 H LYS A 28 -6.622 -7.461 10.451 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.981 -8.916 10.773 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.248 -10.918 11.090 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.598 -11.159 11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.851 -9.196 13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.525 -9.051 12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.916 -11.420 13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.264 -11.473 14.024 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.726 -9.570 15.549 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.370 -9.475 14.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.263 -10.692 17.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.770 -11.722 15.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.178 -11.813 16.353 1.00 0.00 H new ATOM 242 N LEU A 29 -5.527 -9.457 8.007 1.00 0.00 N ATOM 243 CA LEU A 29 -5.186 -10.050 6.719 1.00 0.00 C ATOM 244 C LEU A 29 -3.738 -9.762 6.346 1.00 0.00 C ATOM 245 O LEU A 29 -3.149 -8.786 6.812 1.00 0.00 O ATOM 246 CB LEU A 29 -6.132 -9.531 5.630 1.00 0.00 C ATOM 247 CG LEU A 29 -7.620 -9.825 5.862 1.00 0.00 C ATOM 248 CD1 LEU A 29 -8.455 -9.192 4.758 1.00 0.00 C ATOM 249 CD2 LEU A 29 -7.839 -11.331 5.907 1.00 0.00 C ATOM 0 H LEU A 29 -5.774 -8.468 7.963 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.302 -11.131 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.001 -8.453 5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.836 -9.968 4.676 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.932 -9.396 6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.510 -9.406 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.299 -8.113 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.155 -9.603 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.896 -11.540 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.525 -11.773 4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.253 -11.760 6.720 1.00 0.00 H new ATOM 261 N PRO A 30 -3.169 -10.615 5.501 1.00 0.00 N ATOM 262 CA PRO A 30 -1.820 -10.403 4.991 1.00 0.00 C ATOM 263 C PRO A 30 -1.721 -9.090 4.224 1.00 0.00 C ATOM 264 O PRO A 30 -2.661 -8.687 3.542 1.00 0.00 O ATOM 265 CB PRO A 30 -1.563 -11.621 4.089 1.00 0.00 C ATOM 266 CG PRO A 30 -2.482 -12.691 4.610 1.00 0.00 C ATOM 267 CD PRO A 30 -3.797 -11.814 4.929 1.00 0.00 C ATOM 0 HA PRO A 30 -1.077 -10.321 5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.776 -11.391 3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.521 -11.937 4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.672 -13.471 3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.085 -13.183 5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.379 -11.593 4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.468 -12.309 5.631 1.00 0.00 H new ATOM 275 N THR A 31 -0.574 -8.427 4.341 1.00 0.00 N ATOM 276 CA THR A 31 -0.371 -7.131 3.707 1.00 0.00 C ATOM 277 C THR A 31 -0.368 -7.256 2.188 1.00 0.00 C ATOM 278 O THR A 31 0.050 -8.274 1.641 1.00 0.00 O ATOM 279 CB THR A 31 0.947 -6.479 4.163 1.00 0.00 C ATOM 280 OG1 THR A 31 2.040 -7.366 3.889 1.00 0.00 O ATOM 281 CG2 THR A 31 0.906 -6.176 5.653 1.00 0.00 C ATOM 0 H THR A 31 0.229 -8.768 4.870 1.00 0.00 H new ATOM 0 HA THR A 31 -1.203 -6.497 4.014 1.00 0.00 H new ATOM 0 HB THR A 31 1.081 -5.545 3.617 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.879 -6.950 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.846 -5.716 5.957 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.083 -5.493 5.863 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.759 -7.102 6.209 1.00 0.00 H new ATOM 289 N PRO A 32 -0.834 -6.209 1.515 1.00 0.00 N ATOM 290 CA PRO A 32 -0.851 -6.184 0.056 1.00 0.00 C ATOM 291 C PRO A 32 0.538 -6.433 -0.515 1.00 0.00 C ATOM 292 O PRO A 32 1.544 -6.072 0.095 1.00 0.00 O ATOM 293 CB PRO A 32 -1.376 -4.780 -0.289 1.00 0.00 C ATOM 294 CG PRO A 32 -2.176 -4.359 0.913 1.00 0.00 C ATOM 295 CD PRO A 32 -1.224 -4.919 2.097 1.00 0.00 C ATOM 0 HA PRO A 32 -1.475 -6.968 -0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.556 -4.088 -0.480 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.993 -4.799 -1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -2.313 -3.279 0.965 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.169 -4.807 0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.368 -4.271 2.287 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.755 -5.031 3.042 1.00 0.00 H new ATOM 303 N VAL A 33 0.588 -7.052 -1.690 1.00 0.00 N ATOM 304 CA VAL A 33 1.856 -7.375 -2.333 1.00 0.00 C ATOM 305 C VAL A 33 2.108 -6.476 -3.536 1.00 0.00 C ATOM 306 O VAL A 33 1.347 -6.492 -4.505 1.00 0.00 O ATOM 307 CB VAL A 33 1.901 -8.846 -2.786 1.00 0.00 C ATOM 308 CG1 VAL A 33 3.214 -9.145 -3.493 1.00 0.00 C ATOM 309 CG2 VAL A 33 1.715 -9.776 -1.596 1.00 0.00 C ATOM 0 H VAL A 33 -0.236 -7.340 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 33 2.636 -7.209 -1.590 1.00 0.00 H new ATOM 0 HB VAL A 33 1.084 -9.015 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.229 -10.189 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.311 -8.502 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.045 -8.959 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.750 -10.812 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.511 -9.604 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.751 -9.579 -1.128 1.00 0.00 H new ATOM 319 N TYR A 34 3.177 -5.691 -3.470 1.00 0.00 N ATOM 320 CA TYR A 34 3.491 -4.731 -4.521 1.00 0.00 C ATOM 321 C TYR A 34 4.725 -5.158 -5.305 1.00 0.00 C ATOM 322 O TYR A 34 5.660 -5.734 -4.747 1.00 0.00 O ATOM 323 CB TYR A 34 3.703 -3.337 -3.928 1.00 0.00 C ATOM 324 CG TYR A 34 4.967 -3.204 -3.110 1.00 0.00 C ATOM 325 CD1 TYR A 34 4.970 -3.494 -1.753 1.00 0.00 C ATOM 326 CD2 TYR A 34 6.154 -2.786 -3.694 1.00 0.00 C ATOM 327 CE1 TYR A 34 6.122 -3.375 -1.000 1.00 0.00 C ATOM 328 CE2 TYR A 34 7.312 -2.663 -2.951 1.00 0.00 C ATOM 329 CZ TYR A 34 7.291 -2.959 -1.603 1.00 0.00 C ATOM 330 OH TYR A 34 8.441 -2.837 -0.857 1.00 0.00 O ATOM 0 H TYR A 34 3.843 -5.701 -2.697 1.00 0.00 H new ATOM 0 HA TYR A 34 2.644 -4.699 -5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.728 -2.608 -4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.848 -3.086 -3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.056 -3.818 -1.277 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.173 -2.553 -4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.108 -3.606 0.055 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.228 -2.337 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 34 9.174 -2.535 -1.433 1.00 0.00 H new ATOM 340 N GLU A 35 4.725 -4.871 -6.603 1.00 0.00 N ATOM 341 CA GLU A 35 5.858 -5.197 -7.460 1.00 0.00 C ATOM 342 C GLU A 35 6.259 -4.004 -8.319 1.00 0.00 C ATOM 343 O GLU A 35 5.412 -3.210 -8.730 1.00 0.00 O ATOM 344 CB GLU A 35 5.529 -6.398 -8.349 1.00 0.00 C ATOM 345 CG GLU A 35 5.278 -7.692 -7.588 1.00 0.00 C ATOM 346 CD GLU A 35 4.974 -8.827 -8.526 1.00 0.00 C ATOM 347 OE1 GLU A 35 4.926 -8.597 -9.711 1.00 0.00 O ATOM 348 OE2 GLU A 35 4.901 -9.945 -8.071 1.00 0.00 O ATOM 0 H GLU A 35 3.951 -4.413 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 35 6.700 -5.453 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.646 -6.163 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.352 -6.555 -9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.153 -7.939 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.446 -7.555 -6.898 1.00 0.00 H new ATOM 355 N ILE A 36 7.554 -3.885 -8.590 1.00 0.00 N ATOM 356 CA ILE A 36 8.072 -2.777 -9.383 1.00 0.00 C ATOM 357 C ILE A 36 8.590 -3.260 -10.732 1.00 0.00 C ATOM 358 O ILE A 36 9.412 -4.174 -10.800 1.00 0.00 O ATOM 359 CB ILE A 36 9.202 -2.034 -8.647 1.00 0.00 C ATOM 360 CG1 ILE A 36 8.687 -1.453 -7.327 1.00 0.00 C ATOM 361 CG2 ILE A 36 9.776 -0.934 -9.527 1.00 0.00 C ATOM 362 CD1 ILE A 36 9.776 -0.894 -6.440 1.00 0.00 C ATOM 0 H ILE A 36 8.265 -4.543 -8.272 1.00 0.00 H new ATOM 0 HA ILE A 36 7.241 -2.089 -9.541 1.00 0.00 H new ATOM 0 HB ILE A 36 9.997 -2.745 -8.424 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.968 -0.664 -7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.152 -2.231 -6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.574 -0.419 -8.992 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.177 -1.371 -10.441 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.990 -0.222 -9.779 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.334 -0.501 -5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.484 -1.685 -6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.297 -0.093 -6.964 1.00 0.00 H new ATOM 374 N VAL A 37 8.103 -2.642 -11.802 1.00 0.00 N ATOM 375 CA VAL A 37 8.504 -3.020 -13.153 1.00 0.00 C ATOM 376 C VAL A 37 9.068 -1.827 -13.913 1.00 0.00 C ATOM 377 O VAL A 37 8.393 -0.811 -14.083 1.00 0.00 O ATOM 378 CB VAL A 37 7.327 -3.613 -13.948 1.00 0.00 C ATOM 379 CG1 VAL A 37 7.763 -3.968 -15.361 1.00 0.00 C ATOM 380 CG2 VAL A 37 6.769 -4.838 -13.240 1.00 0.00 C ATOM 0 H VAL A 37 7.430 -1.877 -11.761 1.00 0.00 H new ATOM 0 HA VAL A 37 9.278 -3.780 -13.049 1.00 0.00 H new ATOM 0 HB VAL A 37 6.540 -2.861 -14.009 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.918 -4.386 -15.908 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.116 -3.071 -15.869 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.568 -4.702 -15.320 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.938 -5.244 -13.816 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.550 -5.593 -13.149 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.419 -4.556 -12.247 1.00 0.00 H new ATOM 390 N LYS A 38 10.309 -1.956 -14.371 1.00 0.00 N ATOM 391 CA LYS A 38 10.947 -0.909 -15.160 1.00 0.00 C ATOM 392 C LYS A 38 10.902 -1.236 -16.648 1.00 0.00 C ATOM 393 O LYS A 38 11.313 -2.317 -17.068 1.00 0.00 O ATOM 394 CB LYS A 38 12.395 -0.707 -14.711 1.00 0.00 C ATOM 395 CG LYS A 38 13.120 0.431 -15.417 1.00 0.00 C ATOM 396 CD LYS A 38 14.578 0.509 -14.990 1.00 0.00 C ATOM 397 CE LYS A 38 15.305 1.641 -15.701 1.00 0.00 C ATOM 398 NZ LYS A 38 16.732 1.733 -15.287 1.00 0.00 N ATOM 0 H LYS A 38 10.893 -2.776 -14.209 1.00 0.00 H new ATOM 0 HA LYS A 38 10.393 0.015 -14.997 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.407 -0.518 -13.638 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.947 -1.632 -14.878 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.062 0.287 -16.496 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.623 1.375 -15.194 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.635 0.658 -13.912 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.074 -0.437 -15.208 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.249 1.488 -16.779 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.804 2.585 -15.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.191 2.516 -15.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.786 1.905 -14.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.218 0.842 -15.514 1.00 0.00 H new ATOM 412 N GLU A 39 10.400 -0.294 -17.440 1.00 0.00 N ATOM 413 CA GLU A 39 10.241 -0.504 -18.874 1.00 0.00 C ATOM 414 C GLU A 39 10.839 0.650 -19.669 1.00 0.00 C ATOM 415 O GLU A 39 11.059 1.737 -19.134 1.00 0.00 O ATOM 416 CB GLU A 39 8.764 -0.678 -19.230 1.00 0.00 C ATOM 417 CG GLU A 39 8.117 -1.921 -18.636 1.00 0.00 C ATOM 418 CD GLU A 39 6.678 -2.042 -19.056 1.00 0.00 C ATOM 419 OE1 GLU A 39 6.208 -1.175 -19.754 1.00 0.00 O ATOM 420 OE2 GLU A 39 6.080 -3.052 -18.774 1.00 0.00 O ATOM 0 H GLU A 39 10.096 0.623 -17.112 1.00 0.00 H new ATOM 0 HA GLU A 39 10.778 -1.415 -19.139 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.215 0.200 -18.890 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.666 -0.715 -20.315 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.667 -2.807 -18.954 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.179 -1.881 -17.548 1.00 0.00 H new ATOM 427 N GLY A 40 11.100 0.407 -20.948 1.00 0.00 N ATOM 428 CA GLY A 40 11.579 1.453 -21.844 1.00 0.00 C ATOM 429 C GLY A 40 13.097 1.419 -21.968 1.00 0.00 C ATOM 430 O GLY A 40 13.771 0.673 -21.258 1.00 0.00 O ATOM 0 H GLY A 40 10.988 -0.506 -21.388 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.128 1.327 -22.828 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.264 2.428 -21.471 1.00 0.00 H new ATOM 434 N PRO A 41 13.630 2.231 -22.875 1.00 0.00 N ATOM 435 CA PRO A 41 15.071 2.312 -23.077 1.00 0.00 C ATOM 436 C PRO A 41 15.758 2.982 -21.894 1.00 0.00 C ATOM 437 O PRO A 41 15.141 3.759 -21.166 1.00 0.00 O ATOM 438 CB PRO A 41 15.224 3.127 -24.373 1.00 0.00 C ATOM 439 CG PRO A 41 14.004 4.005 -24.424 1.00 0.00 C ATOM 440 CD PRO A 41 12.884 2.993 -23.885 1.00 0.00 C ATOM 0 HA PRO A 41 15.541 1.332 -23.155 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.138 3.721 -24.361 1.00 0.00 H new ATOM 0 HB3 PRO A 41 15.279 2.476 -25.245 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.103 4.887 -23.791 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.791 4.358 -25.433 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.032 3.518 -23.454 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.496 2.352 -24.677 1.00 0.00 H new ATOM 448 N SER A 42 17.037 2.676 -21.707 1.00 0.00 N ATOM 449 CA SER A 42 17.793 3.201 -20.576 1.00 0.00 C ATOM 450 C SER A 42 17.864 4.723 -20.619 1.00 0.00 C ATOM 451 O SER A 42 18.066 5.373 -19.593 1.00 0.00 O ATOM 452 CB SER A 42 19.187 2.607 -20.560 1.00 0.00 C ATOM 453 OG SER A 42 19.948 3.017 -21.663 1.00 0.00 O ATOM 0 H SER A 42 17.573 2.066 -22.325 1.00 0.00 H new ATOM 0 HA SER A 42 17.276 2.916 -19.660 1.00 0.00 H new ATOM 0 HB2 SER A 42 19.695 2.900 -19.641 1.00 0.00 H new ATOM 0 HB3 SER A 42 19.117 1.519 -20.553 1.00 0.00 H new ATOM 0 HG SER A 42 20.840 2.613 -21.613 1.00 0.00 H new ATOM 459 N HIS A 43 17.697 5.285 -21.811 1.00 0.00 N ATOM 460 CA HIS A 43 17.746 6.730 -21.990 1.00 0.00 C ATOM 461 C HIS A 43 16.399 7.370 -21.683 1.00 0.00 C ATOM 462 O HIS A 43 16.332 8.515 -21.237 1.00 0.00 O ATOM 463 CB HIS A 43 18.180 7.084 -23.416 1.00 0.00 C ATOM 464 CG HIS A 43 19.596 6.708 -23.726 1.00 0.00 C ATOM 465 ND1 HIS A 43 20.676 7.358 -23.167 1.00 0.00 N ATOM 466 CD2 HIS A 43 20.108 5.751 -24.534 1.00 0.00 C ATOM 467 CE1 HIS A 43 21.795 6.815 -23.619 1.00 0.00 C ATOM 468 NE2 HIS A 43 21.476 5.837 -24.450 1.00 0.00 N ATOM 0 H HIS A 43 17.526 4.760 -22.669 1.00 0.00 H new ATOM 0 HA HIS A 43 18.481 7.124 -21.288 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.518 6.584 -24.122 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.057 8.156 -23.568 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.546 5.050 -25.133 1.00 0.00 H new ATOM 0 HE1 HIS A 43 22.797 7.119 -23.355 1.00 0.00 H new ATOM 0 HE2 HIS A 43 22.139 5.243 -24.948 1.00 0.00 H new ATOM 476 N LYS A 44 15.326 6.623 -21.923 1.00 0.00 N ATOM 477 CA LYS A 44 13.977 7.123 -21.690 1.00 0.00 C ATOM 478 C LYS A 44 13.127 6.095 -20.955 1.00 0.00 C ATOM 479 O LYS A 44 12.050 5.719 -21.418 1.00 0.00 O ATOM 480 CB LYS A 44 13.312 7.505 -23.013 1.00 0.00 C ATOM 481 CG LYS A 44 13.977 8.666 -23.739 1.00 0.00 C ATOM 482 CD LYS A 44 13.217 9.036 -25.005 1.00 0.00 C ATOM 483 CE LYS A 44 13.925 10.142 -25.774 1.00 0.00 C ATOM 484 NZ LYS A 44 13.193 10.515 -27.014 1.00 0.00 N ATOM 0 H LYS A 44 15.365 5.668 -22.279 1.00 0.00 H new ATOM 0 HA LYS A 44 14.055 8.011 -21.063 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.311 6.635 -23.669 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.270 7.761 -22.821 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.027 9.530 -23.077 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.003 8.399 -23.993 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.116 8.156 -25.641 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.209 9.359 -24.745 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.027 11.019 -25.135 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.933 9.816 -26.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.709 11.271 -27.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.117 9.685 -27.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.240 10.850 -26.767 1.00 0.00 H new ATOM 498 N SER A 45 13.618 5.641 -19.806 1.00 0.00 N ATOM 499 CA SER A 45 12.959 4.577 -19.059 1.00 0.00 C ATOM 500 C SER A 45 11.816 5.124 -18.213 1.00 0.00 C ATOM 501 O SER A 45 11.848 6.275 -17.780 1.00 0.00 O ATOM 502 CB SER A 45 13.964 3.855 -18.183 1.00 0.00 C ATOM 503 OG SER A 45 14.464 4.679 -17.165 1.00 0.00 O ATOM 0 H SER A 45 14.471 5.994 -19.372 1.00 0.00 H new ATOM 0 HA SER A 45 12.538 3.870 -19.774 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.494 2.977 -17.740 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.790 3.498 -18.798 1.00 0.00 H new ATOM 0 HG SER A 45 15.309 4.311 -16.832 1.00 0.00 H new ATOM 509 N LEU A 46 10.806 4.291 -17.983 1.00 0.00 N ATOM 510 CA LEU A 46 9.720 4.637 -17.074 1.00 0.00 C ATOM 511 C LEU A 46 9.565 3.592 -15.977 1.00 0.00 C ATOM 512 O LEU A 46 9.792 2.403 -16.203 1.00 0.00 O ATOM 513 CB LEU A 46 8.408 4.793 -17.853 1.00 0.00 C ATOM 514 CG LEU A 46 8.389 5.934 -18.878 1.00 0.00 C ATOM 515 CD1 LEU A 46 7.087 5.904 -19.668 1.00 0.00 C ATOM 516 CD2 LEU A 46 8.553 7.265 -18.160 1.00 0.00 C ATOM 0 H LEU A 46 10.717 3.371 -18.414 1.00 0.00 H new ATOM 0 HA LEU A 46 9.965 5.587 -16.599 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.198 3.857 -18.371 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.598 4.952 -17.141 1.00 0.00 H new ATOM 0 HG LEU A 46 9.216 5.809 -19.577 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.083 6.718 -20.393 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.001 4.951 -20.191 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.245 6.021 -18.986 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.539 8.076 -18.889 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.735 7.400 -17.452 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.502 7.275 -17.624 1.00 0.00 H new ATOM 528 N PHE A 47 9.177 4.041 -14.789 1.00 0.00 N ATOM 529 CA PHE A 47 8.977 3.144 -13.658 1.00 0.00 C ATOM 530 C PHE A 47 7.494 2.953 -13.361 1.00 0.00 C ATOM 531 O PHE A 47 6.769 3.918 -13.126 1.00 0.00 O ATOM 532 CB PHE A 47 9.697 3.678 -12.418 1.00 0.00 C ATOM 533 CG PHE A 47 11.194 3.680 -12.541 1.00 0.00 C ATOM 534 CD1 PHE A 47 11.860 4.779 -13.064 1.00 0.00 C ATOM 535 CD2 PHE A 47 11.940 2.584 -12.136 1.00 0.00 C ATOM 536 CE1 PHE A 47 13.237 4.783 -13.177 1.00 0.00 C ATOM 537 CE2 PHE A 47 13.317 2.585 -12.248 1.00 0.00 C ATOM 538 CZ PHE A 47 13.965 3.686 -12.769 1.00 0.00 C ATOM 0 H PHE A 47 8.994 5.023 -14.584 1.00 0.00 H new ATOM 0 HA PHE A 47 9.399 2.174 -13.923 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.356 4.695 -12.221 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.413 3.074 -11.556 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.296 5.641 -13.387 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.439 1.719 -11.728 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.743 5.646 -13.585 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.886 1.725 -11.928 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.041 3.688 -12.857 1.00 0.00 H new ATOM 548 N GLN A 48 7.052 1.700 -13.374 1.00 0.00 N ATOM 549 CA GLN A 48 5.670 1.373 -13.043 1.00 0.00 C ATOM 550 C GLN A 48 5.598 0.429 -11.849 1.00 0.00 C ATOM 551 O GLN A 48 6.577 -0.237 -11.513 1.00 0.00 O ATOM 552 CB GLN A 48 4.965 0.740 -14.246 1.00 0.00 C ATOM 553 CG GLN A 48 4.908 1.632 -15.474 1.00 0.00 C ATOM 554 CD GLN A 48 4.193 0.971 -16.636 1.00 0.00 C ATOM 555 OE1 GLN A 48 3.774 -0.187 -16.548 1.00 0.00 O ATOM 556 NE2 GLN A 48 4.052 1.702 -17.737 1.00 0.00 N ATOM 0 H GLN A 48 7.631 0.894 -13.610 1.00 0.00 H new ATOM 0 HA GLN A 48 5.164 2.302 -12.780 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.477 -0.186 -14.507 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.949 0.472 -13.958 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.400 2.563 -15.220 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.922 1.894 -15.777 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.414 2.655 -17.766 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.582 1.310 -18.553 1.00 0.00 H new ATOM 565 N SER A 49 4.432 0.376 -11.214 1.00 0.00 N ATOM 566 CA SER A 49 4.241 -0.461 -10.034 1.00 0.00 C ATOM 567 C SER A 49 2.829 -1.030 -9.986 1.00 0.00 C ATOM 568 O SER A 49 1.874 -0.383 -10.414 1.00 0.00 O ATOM 569 CB SER A 49 4.532 0.335 -8.777 1.00 0.00 C ATOM 570 OG SER A 49 4.354 -0.430 -7.616 1.00 0.00 O ATOM 0 H SER A 49 3.605 0.902 -11.496 1.00 0.00 H new ATOM 0 HA SER A 49 4.938 -1.297 -10.094 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.556 0.706 -8.813 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.878 1.206 -8.740 1.00 0.00 H new ATOM 0 HG SER A 49 4.639 -1.352 -7.785 1.00 0.00 H new ATOM 576 N THR A 50 2.704 -2.245 -9.462 1.00 0.00 N ATOM 577 CA THR A 50 1.400 -2.875 -9.291 1.00 0.00 C ATOM 578 C THR A 50 1.202 -3.347 -7.857 1.00 0.00 C ATOM 579 O THR A 50 2.166 -3.638 -7.149 1.00 0.00 O ATOM 580 CB THR A 50 1.220 -4.071 -10.245 1.00 0.00 C ATOM 581 OG1 THR A 50 2.208 -5.069 -9.955 1.00 0.00 O ATOM 582 CG2 THR A 50 1.363 -3.626 -11.692 1.00 0.00 C ATOM 0 H THR A 50 3.491 -2.813 -9.148 1.00 0.00 H new ATOM 0 HA THR A 50 0.652 -2.119 -9.528 1.00 0.00 H new ATOM 0 HB THR A 50 0.222 -4.485 -10.101 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.091 -4.744 -10.228 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.233 -4.484 -12.351 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.605 -2.876 -11.919 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.354 -3.198 -11.845 1.00 0.00 H new ATOM 590 N VAL A 51 -0.056 -3.423 -7.432 1.00 0.00 N ATOM 591 CA VAL A 51 -0.384 -3.885 -6.089 1.00 0.00 C ATOM 592 C VAL A 51 -1.492 -4.929 -6.123 1.00 0.00 C ATOM 593 O VAL A 51 -2.557 -4.701 -6.697 1.00 0.00 O ATOM 594 CB VAL A 51 -0.818 -2.719 -5.181 1.00 0.00 C ATOM 595 CG1 VAL A 51 -1.332 -3.245 -3.849 1.00 0.00 C ATOM 596 CG2 VAL A 51 0.339 -1.756 -4.961 1.00 0.00 C ATOM 0 H VAL A 51 -0.865 -3.170 -8.000 1.00 0.00 H new ATOM 0 HA VAL A 51 0.521 -4.333 -5.680 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.626 -2.180 -5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.634 -2.408 -3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.188 -3.897 -4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.542 -3.807 -3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.015 -0.938 -4.317 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.167 -2.284 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.666 -1.355 -5.920 1.00 0.00 H new ATOM 606 N ILE A 52 -1.235 -6.076 -5.502 1.00 0.00 N ATOM 607 CA ILE A 52 -2.237 -7.132 -5.399 1.00 0.00 C ATOM 608 C ILE A 52 -2.929 -7.102 -4.042 1.00 0.00 C ATOM 609 O ILE A 52 -2.303 -7.343 -3.010 1.00 0.00 O ATOM 610 CB ILE A 52 -1.615 -8.524 -5.617 1.00 0.00 C ATOM 611 CG1 ILE A 52 -0.965 -8.606 -7.001 1.00 0.00 C ATOM 612 CG2 ILE A 52 -2.669 -9.607 -5.456 1.00 0.00 C ATOM 613 CD1 ILE A 52 -0.131 -9.849 -7.211 1.00 0.00 C ATOM 0 H ILE A 52 -0.342 -6.298 -5.063 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.972 -6.947 -6.183 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.843 -8.682 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.745 -8.571 -7.761 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.336 -7.728 -7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.213 -10.585 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.089 -9.560 -4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.462 -9.455 -6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.296 -9.835 -8.214 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.672 -9.877 -6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.759 -10.732 -7.096 1.00 0.00 H new ATOM 625 N LEU A 53 -4.224 -6.808 -4.052 1.00 0.00 N ATOM 626 CA LEU A 53 -5.010 -6.767 -2.823 1.00 0.00 C ATOM 627 C LEU A 53 -6.214 -7.695 -2.907 1.00 0.00 C ATOM 628 O LEU A 53 -7.058 -7.553 -3.793 1.00 0.00 O ATOM 629 CB LEU A 53 -5.461 -5.330 -2.532 1.00 0.00 C ATOM 630 CG LEU A 53 -6.366 -5.167 -1.303 1.00 0.00 C ATOM 631 CD1 LEU A 53 -5.590 -5.503 -0.037 1.00 0.00 C ATOM 632 CD2 LEU A 53 -6.897 -3.743 -1.248 1.00 0.00 C ATOM 0 H LEU A 53 -4.753 -6.594 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.378 -7.113 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.576 -4.708 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.989 -4.948 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.210 -5.853 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.240 -5.385 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.238 -6.533 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.736 -4.832 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.540 -3.628 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.062 -3.046 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.470 -3.533 -2.151 1.00 0.00 H new ATOM 644 N ASP A 54 -6.289 -8.645 -1.983 1.00 0.00 N ATOM 645 CA ASP A 54 -7.388 -9.602 -1.955 1.00 0.00 C ATOM 646 C ASP A 54 -7.512 -10.337 -3.283 1.00 0.00 C ATOM 647 O ASP A 54 -8.606 -10.743 -3.679 1.00 0.00 O ATOM 648 CB ASP A 54 -8.705 -8.899 -1.619 1.00 0.00 C ATOM 649 CG ASP A 54 -8.803 -8.402 -0.182 1.00 0.00 C ATOM 650 OD1 ASP A 54 -7.988 -8.794 0.619 1.00 0.00 O ATOM 651 OD2 ASP A 54 -9.588 -7.518 0.066 1.00 0.00 O ATOM 0 H ASP A 54 -5.600 -8.773 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.170 -10.335 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.833 -8.052 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.529 -9.586 -1.810 1.00 0.00 H new ATOM 656 N GLY A 55 -6.387 -10.506 -3.968 1.00 0.00 N ATOM 657 CA GLY A 55 -6.351 -11.274 -5.207 1.00 0.00 C ATOM 658 C GLY A 55 -6.606 -10.381 -6.416 1.00 0.00 C ATOM 659 O GLY A 55 -6.615 -10.851 -7.554 1.00 0.00 O ATOM 0 H GLY A 55 -5.486 -10.121 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.381 -11.760 -5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.101 -12.064 -5.170 1.00 0.00 H new ATOM 663 N VAL A 56 -6.813 -9.095 -6.161 1.00 0.00 N ATOM 664 CA VAL A 56 -7.079 -8.136 -7.227 1.00 0.00 C ATOM 665 C VAL A 56 -5.867 -7.254 -7.489 1.00 0.00 C ATOM 666 O VAL A 56 -5.405 -6.536 -6.602 1.00 0.00 O ATOM 667 CB VAL A 56 -8.290 -7.244 -6.896 1.00 0.00 C ATOM 668 CG1 VAL A 56 -8.556 -6.264 -8.029 1.00 0.00 C ATOM 669 CG2 VAL A 56 -9.523 -8.095 -6.629 1.00 0.00 C ATOM 0 H VAL A 56 -6.802 -8.691 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.302 -8.716 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.062 -6.676 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.415 -5.642 -7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.681 -5.631 -8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.763 -6.816 -8.946 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.369 -7.448 -6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.753 -8.690 -7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.332 -8.758 -5.785 1.00 0.00 H new ATOM 679 N ARG A 57 -5.355 -7.308 -8.715 1.00 0.00 N ATOM 680 CA ARG A 57 -4.122 -6.610 -9.062 1.00 0.00 C ATOM 681 C ARG A 57 -4.417 -5.265 -9.712 1.00 0.00 C ATOM 682 O ARG A 57 -5.112 -5.191 -10.725 1.00 0.00 O ATOM 683 CB ARG A 57 -3.206 -7.460 -9.931 1.00 0.00 C ATOM 684 CG ARG A 57 -1.805 -6.903 -10.119 1.00 0.00 C ATOM 685 CD ARG A 57 -0.890 -7.791 -10.881 1.00 0.00 C ATOM 686 NE ARG A 57 0.482 -7.314 -10.965 1.00 0.00 N ATOM 687 CZ ARG A 57 1.435 -7.861 -11.743 1.00 0.00 C ATOM 688 NH1 ARG A 57 1.185 -8.925 -12.474 1.00 0.00 N ATOM 689 NH2 ARG A 57 2.639 -7.316 -11.732 1.00 0.00 N ATOM 0 H ARG A 57 -5.775 -7.828 -9.485 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.587 -6.422 -8.131 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.130 -8.454 -9.490 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.668 -7.581 -10.911 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.874 -5.945 -10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.370 -6.708 -9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.891 -8.777 -10.417 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.281 -7.914 -11.891 1.00 0.00 H new ATOM 0 HE ARG A 57 0.740 -6.509 -10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.257 -9.349 -12.457 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.919 -9.327 -13.058 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.826 -6.503 -11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.382 -7.708 -12.311 1.00 0.00 H new ATOM 703 N TYR A 58 -3.882 -4.200 -9.124 1.00 0.00 N ATOM 704 CA TYR A 58 -4.098 -2.852 -9.636 1.00 0.00 C ATOM 705 C TYR A 58 -2.835 -2.300 -10.285 1.00 0.00 C ATOM 706 O TYR A 58 -1.723 -2.568 -9.830 1.00 0.00 O ATOM 707 CB TYR A 58 -4.560 -1.921 -8.513 1.00 0.00 C ATOM 708 CG TYR A 58 -5.828 -2.375 -7.823 1.00 0.00 C ATOM 709 CD1 TYR A 58 -7.073 -2.064 -8.348 1.00 0.00 C ATOM 710 CD2 TYR A 58 -5.775 -3.110 -6.648 1.00 0.00 C ATOM 711 CE1 TYR A 58 -8.234 -2.476 -7.722 1.00 0.00 C ATOM 712 CE2 TYR A 58 -6.929 -3.528 -6.014 1.00 0.00 C ATOM 713 CZ TYR A 58 -8.157 -3.208 -6.554 1.00 0.00 C ATOM 714 OH TYR A 58 -9.310 -3.620 -5.926 1.00 0.00 O ATOM 0 H TYR A 58 -3.295 -4.245 -8.291 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.877 -2.905 -10.396 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.765 -1.839 -7.772 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.718 -0.924 -8.923 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.136 -1.490 -9.261 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.815 -3.360 -6.221 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.196 -2.227 -8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.870 -4.102 -5.101 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.080 -4.125 -5.118 1.00 0.00 H new ATOM 724 N ASN A 59 -3.014 -1.529 -11.352 1.00 0.00 N ATOM 725 CA ASN A 59 -1.887 -0.975 -12.093 1.00 0.00 C ATOM 726 C ASN A 59 -1.729 0.515 -11.822 1.00 0.00 C ATOM 727 O ASN A 59 -2.711 1.254 -11.768 1.00 0.00 O ATOM 728 CB ASN A 59 -2.026 -1.226 -13.583 1.00 0.00 C ATOM 729 CG ASN A 59 -2.032 -2.683 -13.955 1.00 0.00 C ATOM 730 OD1 ASN A 59 -1.034 -3.392 -13.782 1.00 0.00 O ATOM 731 ND2 ASN A 59 -3.122 -3.113 -14.537 1.00 0.00 N ATOM 0 H ASN A 59 -3.929 -1.273 -11.723 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.990 -1.486 -11.744 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.950 -0.767 -13.935 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.206 -0.731 -14.103 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.176 -4.075 -14.873 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.918 -2.487 -14.655 1.00 0.00 H new ATOM 738 N SER A 60 -0.485 0.952 -11.655 1.00 0.00 N ATOM 739 CA SER A 60 -0.182 2.373 -11.524 1.00 0.00 C ATOM 740 C SER A 60 -0.268 3.080 -12.870 1.00 0.00 C ATOM 741 O SER A 60 -0.380 2.437 -13.915 1.00 0.00 O ATOM 742 CB SER A 60 1.193 2.560 -10.916 1.00 0.00 C ATOM 743 OG SER A 60 2.213 2.134 -11.777 1.00 0.00 O ATOM 0 H SER A 60 0.331 0.342 -11.607 1.00 0.00 H new ATOM 0 HA SER A 60 -0.925 2.819 -10.863 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.341 3.612 -10.672 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.254 2.004 -9.980 1.00 0.00 H new ATOM 0 HG SER A 60 3.005 2.696 -11.649 1.00 0.00 H new ATOM 749 N LEU A 61 -0.214 4.407 -12.841 1.00 0.00 N ATOM 750 CA LEU A 61 -0.150 5.199 -14.064 1.00 0.00 C ATOM 751 C LEU A 61 1.261 5.217 -14.636 1.00 0.00 C ATOM 752 O LEU A 61 2.239 5.049 -13.907 1.00 0.00 O ATOM 753 CB LEU A 61 -0.634 6.630 -13.795 1.00 0.00 C ATOM 754 CG LEU A 61 -2.085 6.748 -13.311 1.00 0.00 C ATOM 755 CD1 LEU A 61 -2.410 8.199 -12.985 1.00 0.00 C ATOM 756 CD2 LEU A 61 -3.024 6.212 -14.383 1.00 0.00 C ATOM 0 H LEU A 61 -0.213 4.958 -11.982 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.805 4.735 -14.801 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.019 7.083 -13.049 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.525 7.212 -14.710 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.215 6.158 -12.404 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.442 8.273 -12.642 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.741 8.554 -12.201 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.280 8.810 -13.878 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.055 6.296 -14.039 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.899 6.790 -15.298 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.791 5.166 -14.580 1.00 0.00 H new ATOM 768 N PRO A 62 1.361 5.418 -15.945 1.00 0.00 N ATOM 769 CA PRO A 62 2.656 5.510 -16.609 1.00 0.00 C ATOM 770 C PRO A 62 3.179 6.940 -16.600 1.00 0.00 C ATOM 771 O PRO A 62 2.429 7.885 -16.355 1.00 0.00 O ATOM 772 CB PRO A 62 2.383 5.003 -18.035 1.00 0.00 C ATOM 773 CG PRO A 62 0.979 5.445 -18.342 1.00 0.00 C ATOM 774 CD PRO A 62 0.298 4.978 -16.858 1.00 0.00 C ATOM 0 HA PRO A 62 3.429 4.925 -16.110 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.094 5.424 -18.746 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.477 3.919 -18.093 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.896 6.514 -18.537 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.542 4.930 -19.198 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.653 5.473 -16.661 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.117 3.905 -16.801 1.00 0.00 H new ATOM 782 N GLY A 63 4.472 7.094 -16.868 1.00 0.00 N ATOM 783 CA GLY A 63 5.065 8.413 -17.055 1.00 0.00 C ATOM 784 C GLY A 63 5.883 8.828 -15.841 1.00 0.00 C ATOM 785 O GLY A 63 6.333 9.969 -15.743 1.00 0.00 O ATOM 0 H GLY A 63 5.130 6.320 -16.961 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.701 8.406 -17.940 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.278 9.146 -17.234 1.00 0.00 H new ATOM 789 N PHE A 64 6.073 7.893 -14.915 1.00 0.00 N ATOM 790 CA PHE A 64 6.842 8.159 -13.704 1.00 0.00 C ATOM 791 C PHE A 64 8.319 7.854 -13.912 1.00 0.00 C ATOM 792 O PHE A 64 8.675 6.866 -14.553 1.00 0.00 O ATOM 793 CB PHE A 64 6.294 7.341 -12.533 1.00 0.00 C ATOM 794 CG PHE A 64 4.949 7.802 -12.048 1.00 0.00 C ATOM 795 CD1 PHE A 64 4.793 9.056 -11.479 1.00 0.00 C ATOM 796 CD2 PHE A 64 3.837 6.981 -12.163 1.00 0.00 C ATOM 797 CE1 PHE A 64 3.557 9.480 -11.031 1.00 0.00 C ATOM 798 CE2 PHE A 64 2.598 7.403 -11.717 1.00 0.00 C ATOM 799 CZ PHE A 64 2.459 8.653 -11.152 1.00 0.00 C ATOM 0 H PHE A 64 5.705 6.944 -14.980 1.00 0.00 H new ATOM 0 HA PHE A 64 6.744 9.219 -13.471 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.223 6.296 -12.834 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.003 7.387 -11.707 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.648 9.709 -11.385 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.940 6.001 -12.606 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.450 10.458 -10.586 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.740 6.754 -11.811 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.492 8.985 -10.804 1.00 0.00 H new ATOM 809 N PHE A 65 9.177 8.707 -13.363 1.00 0.00 N ATOM 810 CA PHE A 65 10.618 8.490 -13.421 1.00 0.00 C ATOM 811 C PHE A 65 11.180 8.161 -12.044 1.00 0.00 C ATOM 812 O PHE A 65 12.336 8.464 -11.746 1.00 0.00 O ATOM 813 CB PHE A 65 11.322 9.720 -13.996 1.00 0.00 C ATOM 814 CG PHE A 65 10.951 10.018 -15.421 1.00 0.00 C ATOM 815 CD1 PHE A 65 11.580 9.363 -16.469 1.00 0.00 C ATOM 816 CD2 PHE A 65 9.972 10.956 -15.717 1.00 0.00 C ATOM 817 CE1 PHE A 65 11.241 9.637 -17.780 1.00 0.00 C ATOM 818 CE2 PHE A 65 9.630 11.231 -17.027 1.00 0.00 C ATOM 819 CZ PHE A 65 10.264 10.572 -18.059 1.00 0.00 C ATOM 0 H PHE A 65 8.899 9.557 -12.872 1.00 0.00 H new ATOM 0 HA PHE A 65 10.801 7.639 -14.077 1.00 0.00 H new ATOM 0 HB2 PHE A 65 11.083 10.586 -13.379 1.00 0.00 H new ATOM 0 HB3 PHE A 65 12.400 9.573 -13.934 1.00 0.00 H new ATOM 0 HD1 PHE A 65 12.344 8.630 -16.258 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.472 11.477 -14.914 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.740 9.120 -18.586 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.866 11.963 -17.243 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.997 10.787 -19.083 1.00 0.00 H new ATOM 829 N ASN A 66 10.357 7.539 -11.205 1.00 0.00 N ATOM 830 CA ASN A 66 10.755 7.211 -9.843 1.00 0.00 C ATOM 831 C ASN A 66 9.941 6.043 -9.297 1.00 0.00 C ATOM 832 O ASN A 66 8.715 6.027 -9.401 1.00 0.00 O ATOM 833 CB ASN A 66 10.630 8.413 -8.924 1.00 0.00 C ATOM 834 CG ASN A 66 11.287 8.221 -7.585 1.00 0.00 C ATOM 835 OD1 ASN A 66 12.209 7.412 -7.434 1.00 0.00 O ATOM 836 ND2 ASN A 66 10.764 8.903 -6.597 1.00 0.00 N ATOM 0 H ASN A 66 9.409 7.252 -11.447 1.00 0.00 H new ATOM 0 HA ASN A 66 11.804 6.915 -9.876 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.071 9.281 -9.414 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.574 8.635 -8.772 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.117 8.778 -5.648 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.004 9.559 -6.776 1.00 0.00 H new ATOM 843 N ARG A 67 10.633 5.069 -8.716 1.00 0.00 N ATOM 844 CA ARG A 67 9.978 3.881 -8.182 1.00 0.00 C ATOM 845 C ARG A 67 8.966 4.249 -7.102 1.00 0.00 C ATOM 846 O ARG A 67 7.866 3.697 -7.058 1.00 0.00 O ATOM 847 CB ARG A 67 10.980 2.852 -7.678 1.00 0.00 C ATOM 848 CG ARG A 67 11.797 2.170 -8.764 1.00 0.00 C ATOM 849 CD ARG A 67 12.822 1.223 -8.256 1.00 0.00 C ATOM 850 NE ARG A 67 13.631 0.599 -9.291 1.00 0.00 N ATOM 851 CZ ARG A 67 14.672 -0.223 -9.056 1.00 0.00 C ATOM 852 NH1 ARG A 67 15.058 -0.493 -7.829 1.00 0.00 N ATOM 853 NH2 ARG A 67 15.311 -0.734 -10.094 1.00 0.00 N ATOM 0 H ARG A 67 11.647 5.079 -8.603 1.00 0.00 H new ATOM 0 HA ARG A 67 9.435 3.416 -9.005 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.663 3.341 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.443 2.089 -7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.120 1.632 -9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.291 2.934 -9.364 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.480 1.754 -7.569 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.324 0.442 -7.681 1.00 0.00 H new ATOM 0 HE ARG A 67 13.394 0.798 -10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.567 -0.078 -7.037 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.848 -1.118 -7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.012 -0.503 -11.041 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.103 -1.360 -9.948 1.00 0.00 H new ATOM 867 N LYS A 68 9.345 5.180 -6.236 1.00 0.00 N ATOM 868 CA LYS A 68 8.483 5.601 -5.138 1.00 0.00 C ATOM 869 C LYS A 68 7.220 6.276 -5.657 1.00 0.00 C ATOM 870 O LYS A 68 6.134 6.089 -5.110 1.00 0.00 O ATOM 871 CB LYS A 68 9.234 6.543 -4.197 1.00 0.00 C ATOM 872 CG LYS A 68 10.325 5.872 -3.374 1.00 0.00 C ATOM 873 CD LYS A 68 11.024 6.870 -2.463 1.00 0.00 C ATOM 874 CE LYS A 68 12.131 6.205 -1.657 1.00 0.00 C ATOM 875 NZ LYS A 68 12.844 7.175 -0.783 1.00 0.00 N ATOM 0 H LYS A 68 10.245 5.659 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 68 8.190 4.709 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.681 7.344 -4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.518 7.007 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.891 5.072 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.055 5.412 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.443 7.679 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.297 7.318 -1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.706 5.410 -1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.844 5.738 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.589 6.681 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.272 7.920 -1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.170 7.603 -0.117 1.00 0.00 H new ATOM 889 N ALA A 69 7.370 7.063 -6.718 1.00 0.00 N ATOM 890 CA ALA A 69 6.233 7.721 -7.350 1.00 0.00 C ATOM 891 C ALA A 69 5.261 6.704 -7.932 1.00 0.00 C ATOM 892 O ALA A 69 4.044 6.857 -7.818 1.00 0.00 O ATOM 893 CB ALA A 69 6.710 8.680 -8.431 1.00 0.00 C ATOM 0 H ALA A 69 8.269 7.260 -7.158 1.00 0.00 H new ATOM 0 HA ALA A 69 5.705 8.289 -6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.850 9.164 -8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.356 9.437 -7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.266 8.127 -9.188 1.00 0.00 H new ATOM 899 N ALA A 70 5.803 5.664 -8.557 1.00 0.00 N ATOM 900 CA ALA A 70 4.988 4.582 -9.094 1.00 0.00 C ATOM 901 C ALA A 70 4.258 3.837 -7.983 1.00 0.00 C ATOM 902 O ALA A 70 3.099 3.452 -8.139 1.00 0.00 O ATOM 903 CB ALA A 70 5.847 3.620 -9.901 1.00 0.00 C ATOM 0 H ALA A 70 6.806 5.548 -8.704 1.00 0.00 H new ATOM 0 HA ALA A 70 4.239 5.022 -9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.223 2.818 -10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.314 4.155 -10.727 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.620 3.197 -9.260 1.00 0.00 H new ATOM 909 N GLU A 71 4.943 3.639 -6.862 1.00 0.00 N ATOM 910 CA GLU A 71 4.349 2.971 -5.710 1.00 0.00 C ATOM 911 C GLU A 71 3.154 3.749 -5.176 1.00 0.00 C ATOM 912 O GLU A 71 2.120 3.170 -4.845 1.00 0.00 O ATOM 913 CB GLU A 71 5.390 2.783 -4.604 1.00 0.00 C ATOM 914 CG GLU A 71 6.414 1.691 -4.882 1.00 0.00 C ATOM 915 CD GLU A 71 7.515 1.700 -3.860 1.00 0.00 C ATOM 916 OE1 GLU A 71 7.545 2.600 -3.055 1.00 0.00 O ATOM 917 OE2 GLU A 71 8.262 0.751 -3.812 1.00 0.00 O ATOM 0 H GLU A 71 5.911 3.932 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 71 3.999 1.992 -6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.915 3.726 -4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.874 2.552 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.921 0.719 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.837 1.832 -5.877 1.00 0.00 H new ATOM 924 N GLN A 72 3.301 5.068 -5.095 1.00 0.00 N ATOM 925 CA GLN A 72 2.230 5.931 -4.613 1.00 0.00 C ATOM 926 C GLN A 72 1.021 5.877 -5.538 1.00 0.00 C ATOM 927 O GLN A 72 -0.121 5.823 -5.081 1.00 0.00 O ATOM 928 CB GLN A 72 2.721 7.376 -4.488 1.00 0.00 C ATOM 929 CG GLN A 72 3.658 7.615 -3.316 1.00 0.00 C ATOM 930 CD GLN A 72 4.215 9.026 -3.300 1.00 0.00 C ATOM 931 OE1 GLN A 72 3.969 9.816 -4.215 1.00 0.00 O ATOM 932 NE2 GLN A 72 4.974 9.349 -2.259 1.00 0.00 N ATOM 0 H GLN A 72 4.154 5.562 -5.358 1.00 0.00 H new ATOM 0 HA GLN A 72 1.930 5.568 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.231 7.656 -5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.858 8.034 -4.389 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.125 7.427 -2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.482 6.903 -3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.151 8.663 -1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.380 10.283 -2.194 1.00 0.00 H new ATOM 941 N SER A 73 1.279 5.892 -6.841 1.00 0.00 N ATOM 942 CA SER A 73 0.215 5.795 -7.834 1.00 0.00 C ATOM 943 C SER A 73 -0.512 4.460 -7.732 1.00 0.00 C ATOM 944 O SER A 73 -1.741 4.406 -7.789 1.00 0.00 O ATOM 945 CB SER A 73 0.782 5.983 -9.227 1.00 0.00 C ATOM 946 OG SER A 73 -0.199 5.839 -10.218 1.00 0.00 O ATOM 0 H SER A 73 2.217 5.970 -7.235 1.00 0.00 H new ATOM 0 HA SER A 73 -0.508 6.586 -7.636 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.233 6.972 -9.304 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.577 5.257 -9.396 1.00 0.00 H new ATOM 0 HG SER A 73 -0.160 6.603 -10.830 1.00 0.00 H new ATOM 952 N ALA A 74 0.253 3.384 -7.582 1.00 0.00 N ATOM 953 CA ALA A 74 -0.318 2.049 -7.459 1.00 0.00 C ATOM 954 C ALA A 74 -1.213 1.944 -6.231 1.00 0.00 C ATOM 955 O ALA A 74 -2.311 1.392 -6.297 1.00 0.00 O ATOM 956 CB ALA A 74 0.787 1.004 -7.401 1.00 0.00 C ATOM 0 H ALA A 74 1.272 3.411 -7.543 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.933 1.863 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.345 0.012 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.382 1.053 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.426 1.198 -6.540 1.00 0.00 H new ATOM 962 N ALA A 75 -0.738 2.478 -5.111 1.00 0.00 N ATOM 963 CA ALA A 75 -1.512 2.480 -3.875 1.00 0.00 C ATOM 964 C ALA A 75 -2.766 3.333 -4.012 1.00 0.00 C ATOM 965 O ALA A 75 -3.822 2.991 -3.479 1.00 0.00 O ATOM 966 CB ALA A 75 -0.659 2.970 -2.716 1.00 0.00 C ATOM 0 H ALA A 75 0.180 2.915 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.824 1.456 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.251 2.966 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.202 2.312 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.315 3.984 -2.921 1.00 0.00 H new ATOM 972 N GLU A 76 -2.645 4.444 -4.730 1.00 0.00 N ATOM 973 CA GLU A 76 -3.771 5.345 -4.943 1.00 0.00 C ATOM 974 C GLU A 76 -4.885 4.658 -5.721 1.00 0.00 C ATOM 975 O GLU A 76 -6.062 4.780 -5.377 1.00 0.00 O ATOM 976 CB GLU A 76 -3.316 6.607 -5.680 1.00 0.00 C ATOM 977 CG GLU A 76 -4.414 7.635 -5.903 1.00 0.00 C ATOM 978 CD GLU A 76 -4.872 8.237 -4.603 1.00 0.00 C ATOM 979 OE1 GLU A 76 -4.214 8.033 -3.611 1.00 0.00 O ATOM 980 OE2 GLU A 76 -5.816 8.992 -4.621 1.00 0.00 O ATOM 0 H GLU A 76 -1.777 4.742 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.161 5.628 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.509 7.072 -5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.903 6.319 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.049 8.423 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.259 7.164 -6.406 1.00 0.00 H new ATOM 987 N VAL A 77 -4.511 3.938 -6.773 1.00 0.00 N ATOM 988 CA VAL A 77 -5.476 3.208 -7.585 1.00 0.00 C ATOM 989 C VAL A 77 -6.159 2.112 -6.777 1.00 0.00 C ATOM 990 O VAL A 77 -7.380 1.962 -6.826 1.00 0.00 O ATOM 991 CB VAL A 77 -4.810 2.578 -8.823 1.00 0.00 C ATOM 992 CG1 VAL A 77 -5.780 1.644 -9.532 1.00 0.00 C ATOM 993 CG2 VAL A 77 -4.323 3.660 -9.775 1.00 0.00 C ATOM 0 H VAL A 77 -3.544 3.845 -7.083 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.222 3.932 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.949 1.997 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.293 1.208 -10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.084 0.849 -8.851 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.659 2.205 -9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.855 3.197 -10.644 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.168 4.267 -10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.596 4.292 -9.266 1.00 0.00 H new ATOM 1003 N ALA A 78 -5.365 1.350 -6.033 1.00 0.00 N ATOM 1004 CA ALA A 78 -5.895 0.286 -5.189 1.00 0.00 C ATOM 1005 C ALA A 78 -6.908 0.830 -4.190 1.00 0.00 C ATOM 1006 O ALA A 78 -7.956 0.224 -3.963 1.00 0.00 O ATOM 1007 CB ALA A 78 -4.766 -0.430 -4.466 1.00 0.00 C ATOM 0 H ALA A 78 -4.351 1.450 -5.997 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.408 -0.430 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.179 -1.221 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.083 -0.864 -5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.225 0.281 -3.842 1.00 0.00 H new ATOM 1013 N LEU A 79 -6.590 1.973 -3.594 1.00 0.00 N ATOM 1014 CA LEU A 79 -7.434 2.560 -2.561 1.00 0.00 C ATOM 1015 C LEU A 79 -8.693 3.174 -3.160 1.00 0.00 C ATOM 1016 O LEU A 79 -9.766 3.131 -2.557 1.00 0.00 O ATOM 1017 CB LEU A 79 -6.650 3.617 -1.771 1.00 0.00 C ATOM 1018 CG LEU A 79 -5.557 3.064 -0.849 1.00 0.00 C ATOM 1019 CD1 LEU A 79 -4.721 4.205 -0.289 1.00 0.00 C ATOM 1020 CD2 LEU A 79 -6.196 2.261 0.274 1.00 0.00 C ATOM 0 H LEU A 79 -5.752 2.513 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.739 1.764 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.192 4.309 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.353 4.194 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.899 2.407 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.947 3.802 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.255 4.751 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.361 4.880 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.418 1.868 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.863 2.905 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.766 1.434 -0.149 1.00 0.00 H new ATOM 1032 N ARG A 80 -8.557 3.744 -4.353 1.00 0.00 N ATOM 1033 CA ARG A 80 -9.689 4.341 -5.052 1.00 0.00 C ATOM 1034 C ARG A 80 -10.730 3.289 -5.416 1.00 0.00 C ATOM 1035 O ARG A 80 -11.930 3.514 -5.274 1.00 0.00 O ATOM 1036 CB ARG A 80 -9.256 5.140 -6.270 1.00 0.00 C ATOM 1037 CG ARG A 80 -8.630 6.491 -5.960 1.00 0.00 C ATOM 1038 CD ARG A 80 -8.229 7.270 -7.159 1.00 0.00 C ATOM 1039 NE ARG A 80 -7.565 8.531 -6.865 1.00 0.00 N ATOM 1040 CZ ARG A 80 -7.154 9.414 -7.795 1.00 0.00 C ATOM 1041 NH1 ARG A 80 -7.301 9.165 -9.078 1.00 0.00 N ATOM 1042 NH2 ARG A 80 -6.576 10.529 -7.384 1.00 0.00 N ATOM 0 H ARG A 80 -7.672 3.805 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.154 5.046 -4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -8.541 4.547 -6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -10.124 5.296 -6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.338 7.081 -5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.753 6.336 -5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.565 6.658 -7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.116 7.472 -7.759 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.399 8.762 -5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.732 8.292 -9.382 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.984 9.845 -9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.452 10.701 -6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.254 11.217 -8.064 1.00 0.00 H new ATOM 1056 N GLU A 81 -10.258 2.138 -5.885 1.00 0.00 N ATOM 1057 CA GLU A 81 -11.142 1.024 -6.212 1.00 0.00 C ATOM 1058 C GLU A 81 -11.641 0.328 -4.953 1.00 0.00 C ATOM 1059 O GLU A 81 -12.761 -0.180 -4.916 1.00 0.00 O ATOM 1060 CB GLU A 81 -10.426 0.022 -7.120 1.00 0.00 C ATOM 1061 CG GLU A 81 -10.143 0.534 -8.524 1.00 0.00 C ATOM 1062 CD GLU A 81 -11.415 0.897 -9.240 1.00 0.00 C ATOM 1063 OE1 GLU A 81 -12.302 0.079 -9.284 1.00 0.00 O ATOM 1064 OE2 GLU A 81 -11.545 2.028 -9.646 1.00 0.00 O ATOM 0 H GLU A 81 -9.268 1.952 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 81 -12.005 1.427 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.483 -0.262 -6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.031 -0.882 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.491 1.406 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.609 -0.229 -9.091 1.00 0.00 H new ATOM 1071 N LEU A 82 -10.802 0.307 -3.923 1.00 0.00 N ATOM 1072 CA LEU A 82 -11.182 -0.266 -2.638 1.00 0.00 C ATOM 1073 C LEU A 82 -12.371 0.469 -2.035 1.00 0.00 C ATOM 1074 O LEU A 82 -13.316 -0.152 -1.547 1.00 0.00 O ATOM 1075 CB LEU A 82 -9.991 -0.236 -1.671 1.00 0.00 C ATOM 1076 CG LEU A 82 -10.266 -0.815 -0.277 1.00 0.00 C ATOM 1077 CD1 LEU A 82 -10.649 -2.284 -0.388 1.00 0.00 C ATOM 1078 CD2 LEU A 82 -9.033 -0.643 0.597 1.00 0.00 C ATOM 0 H LEU A 82 -9.853 0.681 -3.954 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.478 -1.302 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.165 -0.788 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.660 0.797 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.098 -0.280 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.842 -2.686 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.546 -2.381 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.833 -2.839 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.229 -1.054 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.191 -1.168 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.794 0.417 0.685 1.00 0.00 H new ATOM 1090 N ALA A 83 -12.320 1.797 -2.072 1.00 0.00 N ATOM 1091 CA ALA A 83 -13.409 2.620 -1.559 1.00 0.00 C ATOM 1092 C ALA A 83 -14.725 2.286 -2.249 1.00 0.00 C ATOM 1093 O ALA A 83 -15.789 2.332 -1.633 1.00 0.00 O ATOM 1094 CB ALA A 83 -13.081 4.095 -1.724 1.00 0.00 C ATOM 0 H ALA A 83 -11.535 2.326 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.524 2.403 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.903 4.696 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.170 4.329 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.934 4.319 -2.781 1.00 0.00 H new ATOM 1100 N LYS A 84 -14.644 1.949 -3.532 1.00 0.00 N ATOM 1101 CA LYS A 84 -15.837 1.705 -4.336 1.00 0.00 C ATOM 1102 C LYS A 84 -16.559 0.444 -3.882 1.00 0.00 C ATOM 1103 O LYS A 84 -17.743 0.258 -4.166 1.00 0.00 O ATOM 1104 CB LYS A 84 -15.471 1.598 -5.817 1.00 0.00 C ATOM 1105 CG LYS A 84 -15.004 2.903 -6.446 1.00 0.00 C ATOM 1106 CD LYS A 84 -14.612 2.706 -7.903 1.00 0.00 C ATOM 1107 CE LYS A 84 -14.197 4.021 -8.549 1.00 0.00 C ATOM 1108 NZ LYS A 84 -13.786 3.838 -9.967 1.00 0.00 N ATOM 0 H LYS A 84 -13.765 1.839 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 84 -16.511 2.551 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.684 0.852 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.338 1.234 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.798 3.646 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.153 3.294 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.791 1.992 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.450 2.278 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.026 4.727 -8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.372 4.458 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.527 4.759 -10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.968 3.197 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.575 3.429 -10.507 1.00 0.00 H new ATOM 1122 N SER A 85 -15.839 -0.421 -3.174 1.00 0.00 N ATOM 1123 CA SER A 85 -16.405 -1.679 -2.699 1.00 0.00 C ATOM 1124 C SER A 85 -17.312 -1.455 -1.496 1.00 0.00 C ATOM 1125 O SER A 85 -18.088 -2.334 -1.120 1.00 0.00 O ATOM 1126 CB SER A 85 -15.294 -2.651 -2.350 1.00 0.00 C ATOM 1127 OG SER A 85 -14.605 -2.269 -1.191 1.00 0.00 O ATOM 0 H SER A 85 -14.863 -0.274 -2.917 1.00 0.00 H new ATOM 0 HA SER A 85 -17.010 -2.104 -3.500 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.715 -3.647 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.594 -2.715 -3.183 1.00 0.00 H new ATOM 0 HG SER A 85 -14.098 -1.449 -1.367 1.00 0.00 H new ATOM 1133 N SER A 86 -17.209 -0.275 -0.895 1.00 0.00 N ATOM 1134 CA SER A 86 -18.025 0.068 0.263 1.00 0.00 C ATOM 1135 C SER A 86 -19.480 0.283 -0.131 1.00 0.00 C ATOM 1136 O SER A 86 -20.392 0.030 0.656 1.00 0.00 O ATOM 1137 CB SER A 86 -17.474 1.308 0.942 1.00 0.00 C ATOM 1138 OG SER A 86 -18.268 1.714 2.023 1.00 0.00 O ATOM 0 H SER A 86 -16.568 0.461 -1.191 1.00 0.00 H new ATOM 0 HA SER A 86 -17.987 -0.767 0.963 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.461 1.109 1.291 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.408 2.119 0.217 1.00 0.00 H new ATOM 0 HG SER A 86 -17.878 2.514 2.433 1.00 0.00 H new