USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 ASN : amide:sc= -0.962 X(o=-0.44,f=0.017) USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0.519 USER MOD Set 2.1: A 4 ASN : amide:sc= -0.128 X(o=-4.1,f=-4.1) USER MOD Set 2.2: A 117 ASN : amide:sc= -4.02! C(o=-4.1!,f=-11!) USER MOD Single : A 1 GLU N :NH3+ -173:sc= -0.791 (180deg=-0.858) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 83:sc= 0.99! USER MOD Single : A 11 HIS : no HD1:sc= -0.31 K(o=-0.31,f=-0.92) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0749 X(o=-0.075,f=-0.18) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 19 ASN : amide:sc= -7.16! C(o=-7.2!,f=-12!) USER MOD Single : A 28 SER OG : rot 62:sc= 0.567 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -104:sc= 0.581 USER MOD Single : A 38 LYS NZ :NH3+ -108:sc= 0.716 (180deg=0.000228) USER MOD Single : A 41 SER OG : rot 180:sc= 0.422 USER MOD Single : A 44 SER OG : rot 180:sc=-0.00544 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= -0.464 (180deg=-0.792) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 130:sc= -1.33 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0.837 (180deg=0.53) USER MOD Single : A 70 THR OG1 : rot -130:sc= -1.2 USER MOD Single : A 77 GLN : amide:sc= -4.16! K(o=-4.2!,f=-0.43) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0.418 K(o=0.42,f=-7.9!) USER MOD Single : A 97 THR OG1 : rot -113:sc= 0.178 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 170:sc= -0.518 USER MOD Single : A 105 ASN : amide:sc= -1.65 K(o=-1.7,f=-13!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HE2:sc= -0.92 K(o=-0.92,f=-3.2!) USER MOD Single : A 115 ASN : amide:sc= -3.14! C(o=-3.1!,f=-5.8!) USER MOD Single : A 118 TYR OH : rot -20:sc= 0.405 USER MOD Single : A 119 GLN : amide:sc= -5.1! K(o=-5.1!,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.990 15.380 -0.773 1.00 0.00 N ATOM 2 CA GLU A 1 3.025 15.273 -2.265 1.00 0.00 C ATOM 3 C GLU A 1 4.247 14.520 -2.803 1.00 0.00 C ATOM 4 O GLU A 1 4.108 13.686 -3.681 1.00 0.00 O ATOM 5 CB GLU A 1 2.964 16.718 -2.836 1.00 0.00 C ATOM 6 CG GLU A 1 1.990 16.695 -4.044 1.00 0.00 C ATOM 7 CD GLU A 1 0.577 16.176 -3.690 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.324 16.013 -2.505 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.151 15.971 -4.640 1.00 0.00 O ATOM 0 H1 GLU A 1 2.083 15.794 -0.476 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.092 14.433 -0.355 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.770 15.987 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 1 2.170 14.680 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.617 17.418 -2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.954 17.051 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.906 17.702 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.412 16.067 -4.829 1.00 0.00 H new ATOM 18 N GLN A 2 5.399 14.844 -2.270 1.00 0.00 N ATOM 19 CA GLN A 2 6.667 14.181 -2.696 1.00 0.00 C ATOM 20 C GLN A 2 7.346 13.473 -1.509 1.00 0.00 C ATOM 21 O GLN A 2 7.646 14.086 -0.500 1.00 0.00 O ATOM 22 CB GLN A 2 7.584 15.268 -3.288 1.00 0.00 C ATOM 23 CG GLN A 2 9.034 14.707 -3.511 1.00 0.00 C ATOM 24 CD GLN A 2 9.913 15.782 -4.142 1.00 0.00 C ATOM 25 OE1 GLN A 2 9.714 16.176 -5.265 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.898 16.298 -3.477 1.00 0.00 N ATOM 0 H GLN A 2 5.514 15.552 -1.545 1.00 0.00 H new ATOM 0 HA GLN A 2 6.459 13.414 -3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.175 15.620 -4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.620 16.126 -2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.460 14.388 -2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.999 13.829 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.091 15.985 -2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.481 17.017 -3.905 1.00 0.00 H new ATOM 35 N ALA A 3 7.558 12.195 -1.666 1.00 0.00 N ATOM 36 CA ALA A 3 8.213 11.360 -0.622 1.00 0.00 C ATOM 37 C ALA A 3 9.448 10.674 -1.270 1.00 0.00 C ATOM 38 O ALA A 3 9.402 10.316 -2.435 1.00 0.00 O ATOM 39 CB ALA A 3 7.184 10.362 -0.176 1.00 0.00 C ATOM 0 H ALA A 3 7.294 11.679 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 3 8.560 11.932 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.611 9.719 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.319 10.887 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.874 9.754 -1.026 1.00 0.00 H new ATOM 45 N ASN A 4 10.488 10.509 -0.497 1.00 0.00 N ATOM 46 CA ASN A 4 11.751 9.865 -0.984 1.00 0.00 C ATOM 47 C ASN A 4 12.193 8.775 0.017 1.00 0.00 C ATOM 48 O ASN A 4 11.729 8.789 1.138 1.00 0.00 O ATOM 49 CB ASN A 4 12.780 11.000 -1.117 1.00 0.00 C ATOM 50 CG ASN A 4 12.246 12.061 -2.077 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.106 11.869 -3.263 1.00 0.00 O ATOM 52 ND2 ASN A 4 11.922 13.219 -1.609 1.00 0.00 N ATOM 0 H ASN A 4 10.518 10.801 0.480 1.00 0.00 H new ATOM 0 HA ASN A 4 11.629 9.364 -1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 4 12.977 11.443 -0.141 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.727 10.605 -1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.560 13.939 -2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.027 13.414 -0.613 1.00 0.00 H new ATOM 59 N ASP A 5 13.054 7.889 -0.403 1.00 0.00 N ATOM 60 CA ASP A 5 13.590 6.763 0.430 1.00 0.00 C ATOM 61 C ASP A 5 12.656 6.192 1.525 1.00 0.00 C ATOM 62 O ASP A 5 12.816 6.333 2.723 1.00 0.00 O ATOM 63 CB ASP A 5 14.948 7.274 1.002 1.00 0.00 C ATOM 64 CG ASP A 5 15.978 7.464 -0.116 1.00 0.00 C ATOM 65 OD1 ASP A 5 15.739 6.976 -1.212 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.965 8.087 0.207 1.00 0.00 O ATOM 0 H ASP A 5 13.432 7.900 -1.350 1.00 0.00 H new ATOM 0 HA ASP A 5 13.701 5.887 -0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.794 8.218 1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.329 6.563 1.735 1.00 0.00 H new ATOM 71 N VAL A 6 11.667 5.536 1.004 1.00 0.00 N ATOM 72 CA VAL A 6 10.627 4.885 1.859 1.00 0.00 C ATOM 73 C VAL A 6 10.760 3.356 1.700 1.00 0.00 C ATOM 74 O VAL A 6 11.242 2.877 0.686 1.00 0.00 O ATOM 75 CB VAL A 6 9.249 5.432 1.371 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.073 5.049 2.294 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.322 6.957 1.349 1.00 0.00 C ATOM 0 H VAL A 6 11.526 5.417 0.001 1.00 0.00 H new ATOM 0 HA VAL A 6 10.736 5.106 2.921 1.00 0.00 H new ATOM 0 HB VAL A 6 9.064 4.994 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.147 5.462 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.992 3.963 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.248 5.450 3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.368 7.362 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.537 7.325 2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.113 7.274 0.669 1.00 0.00 H new ATOM 87 N ARG A 7 10.318 2.657 2.716 1.00 0.00 N ATOM 88 CA ARG A 7 10.373 1.161 2.720 1.00 0.00 C ATOM 89 C ARG A 7 9.161 0.524 2.013 1.00 0.00 C ATOM 90 O ARG A 7 8.036 0.694 2.436 1.00 0.00 O ATOM 91 CB ARG A 7 10.378 0.626 4.163 1.00 0.00 C ATOM 92 CG ARG A 7 11.705 0.818 4.918 1.00 0.00 C ATOM 93 CD ARG A 7 11.413 0.304 6.340 1.00 0.00 C ATOM 94 NE ARG A 7 12.645 0.476 7.186 1.00 0.00 N ATOM 95 CZ ARG A 7 13.007 -0.413 8.037 1.00 0.00 C ATOM 96 NH1 ARG A 7 12.092 -0.972 8.718 1.00 0.00 N ATOM 97 NH2 ARG A 7 14.240 -0.697 8.170 1.00 0.00 N ATOM 0 H ARG A 7 9.914 3.067 3.558 1.00 0.00 H new ATOM 0 HA ARG A 7 11.287 0.895 2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.584 1.121 4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.139 -0.437 4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.513 0.256 4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.009 1.865 4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.578 0.854 6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.122 -0.746 6.308 1.00 0.00 H new ATOM 0 HE ARG A 7 13.207 1.321 7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.117 -0.708 8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 7 12.332 -1.685 9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.938 -0.218 7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.531 -1.403 8.846 1.00 0.00 H new ATOM 111 N ALA A 8 9.435 -0.182 0.958 1.00 0.00 N ATOM 112 CA ALA A 8 8.343 -0.862 0.202 1.00 0.00 C ATOM 113 C ALA A 8 8.599 -2.380 0.345 1.00 0.00 C ATOM 114 O ALA A 8 9.711 -2.840 0.162 1.00 0.00 O ATOM 115 CB ALA A 8 8.409 -0.391 -1.267 1.00 0.00 C ATOM 0 H ALA A 8 10.372 -0.321 0.581 1.00 0.00 H new ATOM 0 HA ALA A 8 7.346 -0.628 0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.619 -0.876 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.277 0.690 -1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.378 -0.655 -1.690 1.00 0.00 H new ATOM 121 N THR A 9 7.543 -3.070 0.695 1.00 0.00 N ATOM 122 CA THR A 9 7.539 -4.562 0.896 1.00 0.00 C ATOM 123 C THR A 9 6.269 -5.121 0.224 1.00 0.00 C ATOM 124 O THR A 9 5.326 -4.372 0.051 1.00 0.00 O ATOM 125 CB THR A 9 7.474 -4.908 2.390 1.00 0.00 C ATOM 126 OG1 THR A 9 6.293 -4.259 2.827 1.00 0.00 O ATOM 127 CG2 THR A 9 8.510 -4.190 3.242 1.00 0.00 C ATOM 0 H THR A 9 6.633 -2.639 0.859 1.00 0.00 H new ATOM 0 HA THR A 9 8.448 -4.986 0.471 1.00 0.00 H new ATOM 0 HB THR A 9 7.577 -5.989 2.488 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.163 -4.426 3.784 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.396 -4.490 4.284 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.510 -4.452 2.897 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.368 -3.113 3.157 1.00 0.00 H new ATOM 135 N TYR A 10 6.270 -6.381 -0.097 1.00 0.00 N ATOM 136 CA TYR A 10 5.069 -6.999 -0.760 1.00 0.00 C ATOM 137 C TYR A 10 4.371 -8.059 0.124 1.00 0.00 C ATOM 138 O TYR A 10 4.937 -8.512 1.101 1.00 0.00 O ATOM 139 CB TYR A 10 5.559 -7.641 -2.068 1.00 0.00 C ATOM 140 CG TYR A 10 6.707 -8.629 -1.726 1.00 0.00 C ATOM 141 CD1 TYR A 10 6.430 -9.911 -1.284 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.033 -8.245 -1.824 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.456 -10.786 -0.947 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.049 -9.121 -1.489 1.00 0.00 C ATOM 145 CZ TYR A 10 8.776 -10.397 -1.045 1.00 0.00 C ATOM 146 OH TYR A 10 9.789 -11.276 -0.691 1.00 0.00 O ATOM 0 H TYR A 10 7.048 -7.020 0.067 1.00 0.00 H new ATOM 0 HA TYR A 10 4.324 -6.224 -0.941 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.742 -8.165 -2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.911 -6.875 -2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.403 -10.236 -1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.277 -7.250 -2.166 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.217 -11.782 -0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.076 -8.799 -1.577 1.00 0.00 H new ATOM 0 HH TYR A 10 9.982 -11.873 -1.444 1.00 0.00 H new ATOM 156 N HIS A 11 3.164 -8.437 -0.227 1.00 0.00 N ATOM 157 CA HIS A 11 2.432 -9.472 0.576 1.00 0.00 C ATOM 158 C HIS A 11 1.465 -10.200 -0.381 1.00 0.00 C ATOM 159 O HIS A 11 1.534 -10.008 -1.577 1.00 0.00 O ATOM 160 CB HIS A 11 1.703 -8.755 1.800 1.00 0.00 C ATOM 161 CG HIS A 11 0.736 -7.639 1.426 1.00 0.00 C ATOM 162 ND1 HIS A 11 0.919 -6.383 1.672 1.00 0.00 N ATOM 163 CD2 HIS A 11 -0.484 -7.688 0.785 1.00 0.00 C ATOM 164 CE1 HIS A 11 -0.092 -5.702 1.229 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.988 -6.477 0.670 1.00 0.00 N ATOM 0 H HIS A 11 2.654 -8.075 -1.033 1.00 0.00 H new ATOM 0 HA HIS A 11 3.098 -10.218 1.010 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.158 -9.509 2.368 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.464 -8.345 2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.958 -8.590 0.428 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.184 -4.629 1.311 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.874 -6.205 0.243 1.00 0.00 H new ATOM 173 N TYR A 12 0.594 -11.033 0.113 1.00 0.00 N ATOM 174 CA TYR A 12 -0.352 -11.753 -0.823 1.00 0.00 C ATOM 175 C TYR A 12 -1.710 -12.128 -0.185 1.00 0.00 C ATOM 176 O TYR A 12 -1.806 -13.187 0.401 1.00 0.00 O ATOM 177 CB TYR A 12 0.380 -13.054 -1.373 1.00 0.00 C ATOM 178 CG TYR A 12 1.764 -13.237 -0.728 1.00 0.00 C ATOM 179 CD1 TYR A 12 1.884 -13.853 0.501 1.00 0.00 C ATOM 180 CD2 TYR A 12 2.902 -12.771 -1.363 1.00 0.00 C ATOM 181 CE1 TYR A 12 3.127 -13.999 1.087 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.140 -12.921 -0.771 1.00 0.00 C ATOM 183 CZ TYR A 12 4.259 -13.532 0.453 1.00 0.00 C ATOM 184 OH TYR A 12 5.504 -13.665 1.028 1.00 0.00 O ATOM 0 H TYR A 12 0.486 -11.253 1.103 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.596 -11.064 -1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.235 -13.931 -1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.488 -12.982 -2.455 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.004 -14.222 1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.821 -12.288 -2.326 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.212 -14.483 2.049 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.022 -12.555 -1.275 1.00 0.00 H new ATOM 0 HH TYR A 12 6.181 -13.278 0.435 1.00 0.00 H new ATOM 194 N TYR A 13 -2.714 -11.291 -0.286 1.00 0.00 N ATOM 195 CA TYR A 13 -4.045 -11.656 0.334 1.00 0.00 C ATOM 196 C TYR A 13 -4.829 -12.539 -0.680 1.00 0.00 C ATOM 197 O TYR A 13 -4.731 -13.752 -0.695 1.00 0.00 O ATOM 198 CB TYR A 13 -4.834 -10.321 0.654 1.00 0.00 C ATOM 199 CG TYR A 13 -4.362 -9.554 1.902 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.075 -9.646 2.400 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.269 -8.733 2.553 1.00 0.00 C ATOM 202 CE1 TYR A 13 -2.703 -8.930 3.526 1.00 0.00 C ATOM 203 CE2 TYR A 13 -4.891 -8.020 3.679 1.00 0.00 C ATOM 204 CZ TYR A 13 -3.612 -8.117 4.168 1.00 0.00 C ATOM 205 OH TYR A 13 -3.250 -7.414 5.295 1.00 0.00 O ATOM 0 H TYR A 13 -2.681 -10.388 -0.758 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.913 -12.214 1.261 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.757 -9.659 -0.208 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.890 -10.564 0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.354 -10.281 1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.279 -8.648 2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.694 -9.009 3.903 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.608 -7.383 4.176 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.015 -6.892 5.615 1.00 0.00 H new ATOM 215 N ARG A 14 -5.605 -11.891 -1.501 1.00 0.00 N ATOM 216 CA ARG A 14 -6.432 -12.564 -2.556 1.00 0.00 C ATOM 217 C ARG A 14 -6.317 -11.782 -3.891 1.00 0.00 C ATOM 218 O ARG A 14 -7.061 -10.857 -4.125 1.00 0.00 O ATOM 219 CB ARG A 14 -7.905 -12.635 -2.032 1.00 0.00 C ATOM 220 CG ARG A 14 -7.987 -13.886 -1.122 1.00 0.00 C ATOM 221 CD ARG A 14 -9.308 -13.980 -0.356 1.00 0.00 C ATOM 222 NE ARG A 14 -9.228 -15.293 0.392 1.00 0.00 N ATOM 223 CZ ARG A 14 -8.899 -15.333 1.625 1.00 0.00 C ATOM 224 NH1 ARG A 14 -7.673 -15.117 1.872 1.00 0.00 N ATOM 225 NH2 ARG A 14 -9.790 -15.572 2.493 1.00 0.00 N ATOM 0 H ARG A 14 -5.708 -10.876 -1.487 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.080 -13.576 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.163 -11.733 -1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.609 -12.711 -2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.862 -14.781 -1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.161 -13.866 -0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.429 -13.141 0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.161 -13.962 -1.034 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.441 -16.162 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.024 -14.928 1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.336 -15.133 2.835 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.755 -15.729 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.542 -15.607 3.482 1.00 0.00 H new ATOM 239 N PRO A 15 -5.400 -12.122 -4.759 1.00 0.00 N ATOM 240 CA PRO A 15 -5.415 -11.493 -6.108 1.00 0.00 C ATOM 241 C PRO A 15 -6.664 -11.897 -6.920 1.00 0.00 C ATOM 242 O PRO A 15 -7.559 -12.553 -6.416 1.00 0.00 O ATOM 243 CB PRO A 15 -4.098 -11.936 -6.732 1.00 0.00 C ATOM 244 CG PRO A 15 -3.656 -13.226 -5.946 1.00 0.00 C ATOM 245 CD PRO A 15 -4.303 -13.109 -4.543 1.00 0.00 C ATOM 0 HA PRO A 15 -5.488 -10.406 -6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.222 -12.150 -7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.345 -11.152 -6.650 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.991 -14.129 -6.457 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.570 -13.286 -5.872 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.686 -14.068 -4.194 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.588 -12.761 -3.797 1.00 0.00 H new ATOM 253 N ALA A 16 -6.694 -11.458 -8.156 1.00 0.00 N ATOM 254 CA ALA A 16 -7.798 -11.734 -9.142 1.00 0.00 C ATOM 255 C ALA A 16 -8.588 -13.067 -8.900 1.00 0.00 C ATOM 256 O ALA A 16 -9.732 -13.182 -9.288 1.00 0.00 O ATOM 257 CB ALA A 16 -7.125 -11.681 -10.518 1.00 0.00 C ATOM 0 H ALA A 16 -5.949 -10.882 -8.547 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.586 -10.989 -9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.867 -11.873 -11.293 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.687 -10.695 -10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.342 -12.438 -10.569 1.00 0.00 H new ATOM 263 N GLN A 17 -7.933 -14.028 -8.287 1.00 0.00 N ATOM 264 CA GLN A 17 -8.505 -15.382 -7.932 1.00 0.00 C ATOM 265 C GLN A 17 -9.943 -15.175 -7.382 1.00 0.00 C ATOM 266 O GLN A 17 -10.903 -15.767 -7.825 1.00 0.00 O ATOM 267 CB GLN A 17 -7.598 -16.018 -6.853 1.00 0.00 C ATOM 268 CG GLN A 17 -6.188 -16.416 -7.388 1.00 0.00 C ATOM 269 CD GLN A 17 -6.283 -17.500 -8.462 1.00 0.00 C ATOM 270 OE1 GLN A 17 -7.000 -18.467 -8.351 1.00 0.00 O ATOM 271 NE2 GLN A 17 -5.570 -17.395 -9.532 1.00 0.00 N ATOM 0 H GLN A 17 -6.960 -13.923 -7.999 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.547 -16.039 -8.801 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.481 -15.316 -6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.090 -16.904 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.692 -15.537 -7.799 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.572 -16.773 -6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.954 -16.592 -9.658 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.622 -18.115 -10.252 1.00 0.00 H new ATOM 280 N ASN A 18 -10.012 -14.302 -6.402 1.00 0.00 N ATOM 281 CA ASN A 18 -11.300 -13.918 -5.709 1.00 0.00 C ATOM 282 C ASN A 18 -11.520 -12.480 -6.240 1.00 0.00 C ATOM 283 O ASN A 18 -11.808 -11.550 -5.516 1.00 0.00 O ATOM 284 CB ASN A 18 -11.056 -13.949 -4.157 1.00 0.00 C ATOM 285 CG ASN A 18 -12.342 -13.862 -3.299 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.732 -12.834 -2.797 1.00 0.00 O ATOM 287 ND2 ASN A 18 -13.049 -14.930 -3.100 1.00 0.00 N ATOM 0 H ASN A 18 -9.194 -13.816 -6.035 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.156 -14.566 -5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.528 -14.868 -3.904 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.400 -13.121 -3.889 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.899 -14.882 -2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.756 -15.819 -3.506 1.00 0.00 H new ATOM 294 N ASN A 19 -11.372 -12.364 -7.536 1.00 0.00 N ATOM 295 CA ASN A 19 -11.531 -11.051 -8.266 1.00 0.00 C ATOM 296 C ASN A 19 -10.848 -9.874 -7.487 1.00 0.00 C ATOM 297 O ASN A 19 -11.475 -8.865 -7.263 1.00 0.00 O ATOM 298 CB ASN A 19 -13.071 -10.792 -8.449 1.00 0.00 C ATOM 299 CG ASN A 19 -13.371 -9.407 -9.049 1.00 0.00 C ATOM 300 OD1 ASN A 19 -13.407 -9.154 -10.232 1.00 0.00 O ATOM 301 ND2 ASN A 19 -13.608 -8.400 -8.279 1.00 0.00 N ATOM 0 H ASN A 19 -11.139 -13.148 -8.145 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.038 -11.103 -9.237 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.491 -11.563 -9.095 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.568 -10.881 -7.483 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.805 -7.484 -8.683 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.599 -8.519 -7.266 1.00 0.00 H new ATOM 308 N TRP A 20 -9.610 -9.976 -7.072 1.00 0.00 N ATOM 309 CA TRP A 20 -8.963 -8.846 -6.331 1.00 0.00 C ATOM 310 C TRP A 20 -9.685 -8.609 -4.977 1.00 0.00 C ATOM 311 O TRP A 20 -10.774 -8.069 -4.867 1.00 0.00 O ATOM 312 CB TRP A 20 -9.041 -7.511 -7.046 1.00 0.00 C ATOM 313 CG TRP A 20 -8.205 -7.226 -8.309 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.834 -6.909 -9.458 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.854 -7.159 -8.495 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.850 -6.656 -10.300 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.630 -6.780 -9.804 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.745 -7.355 -7.678 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.346 -6.605 -10.264 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.467 -7.164 -8.173 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.264 -6.791 -9.460 1.00 0.00 C ATOM 0 H TRP A 20 -9.017 -10.794 -7.214 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.922 -9.152 -6.228 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.086 -7.356 -7.316 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.783 -6.744 -6.315 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.897 -6.871 -9.646 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.019 -6.383 -11.268 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.883 -7.658 -6.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.192 -6.312 -11.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.618 -7.315 -7.523 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.264 -6.644 -9.840 1.00 0.00 H new ATOM 332 N ASP A 21 -8.992 -9.058 -3.990 1.00 0.00 N ATOM 333 CA ASP A 21 -9.387 -8.992 -2.557 1.00 0.00 C ATOM 334 C ASP A 21 -10.494 -7.971 -2.216 1.00 0.00 C ATOM 335 O ASP A 21 -11.402 -8.281 -1.474 1.00 0.00 O ATOM 336 CB ASP A 21 -8.047 -8.775 -1.862 1.00 0.00 C ATOM 337 CG ASP A 21 -8.272 -8.812 -0.377 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.644 -7.760 0.106 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.069 -9.884 0.179 1.00 0.00 O ATOM 0 H ASP A 21 -8.087 -9.509 -4.126 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.895 -9.894 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.337 -9.547 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.617 -7.818 -2.157 1.00 0.00 H new ATOM 344 N LEU A 22 -10.358 -6.793 -2.767 1.00 0.00 N ATOM 345 CA LEU A 22 -11.305 -5.624 -2.619 1.00 0.00 C ATOM 346 C LEU A 22 -12.693 -6.121 -2.173 1.00 0.00 C ATOM 347 O LEU A 22 -13.253 -5.682 -1.192 1.00 0.00 O ATOM 348 CB LEU A 22 -11.471 -4.890 -4.003 1.00 0.00 C ATOM 349 CG LEU A 22 -10.454 -3.780 -4.431 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.881 -2.365 -3.919 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.041 -4.054 -3.897 1.00 0.00 C ATOM 0 H LEU A 22 -9.562 -6.572 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.893 -4.942 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.459 -5.656 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.464 -4.440 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.451 -3.799 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.147 -1.626 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.857 -2.109 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.937 -2.374 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.370 -3.258 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.064 -4.091 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.684 -5.008 -4.285 1.00 0.00 H new ATOM 363 N GLY A 23 -13.174 -7.054 -2.960 1.00 0.00 N ATOM 364 CA GLY A 23 -14.523 -7.667 -2.710 1.00 0.00 C ATOM 365 C GLY A 23 -14.622 -8.617 -1.517 1.00 0.00 C ATOM 366 O GLY A 23 -15.594 -8.555 -0.794 1.00 0.00 O ATOM 0 H GLY A 23 -12.685 -7.423 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.244 -6.862 -2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.824 -8.210 -3.606 1.00 0.00 H new ATOM 370 N ALA A 24 -13.630 -9.449 -1.349 1.00 0.00 N ATOM 371 CA ALA A 24 -13.564 -10.450 -0.247 1.00 0.00 C ATOM 372 C ALA A 24 -14.155 -9.955 1.094 1.00 0.00 C ATOM 373 O ALA A 24 -13.451 -9.336 1.861 1.00 0.00 O ATOM 374 CB ALA A 24 -12.110 -10.842 -0.058 1.00 0.00 C ATOM 0 H ALA A 24 -12.819 -9.474 -1.967 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.180 -11.300 -0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.032 -11.575 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.726 -11.274 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.526 -9.959 0.200 1.00 0.00 H new ATOM 380 N PRO A 25 -15.416 -10.217 1.366 1.00 0.00 N ATOM 381 CA PRO A 25 -16.197 -9.580 2.482 1.00 0.00 C ATOM 382 C PRO A 25 -15.467 -9.367 3.829 1.00 0.00 C ATOM 383 O PRO A 25 -15.810 -8.508 4.614 1.00 0.00 O ATOM 384 CB PRO A 25 -17.423 -10.467 2.654 1.00 0.00 C ATOM 385 CG PRO A 25 -17.307 -11.614 1.607 1.00 0.00 C ATOM 386 CD PRO A 25 -16.219 -11.201 0.606 1.00 0.00 C ATOM 0 HA PRO A 25 -16.418 -8.552 2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.467 -10.871 3.665 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -18.338 -9.895 2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -17.047 -12.554 2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -18.259 -11.770 1.099 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -15.618 -12.054 0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.647 -10.762 -0.295 1.00 0.00 H new ATOM 394 N ALA A 26 -14.482 -10.182 4.052 1.00 0.00 N ATOM 395 CA ALA A 26 -13.665 -10.125 5.307 1.00 0.00 C ATOM 396 C ALA A 26 -12.541 -9.047 5.315 1.00 0.00 C ATOM 397 O ALA A 26 -11.942 -8.801 6.346 1.00 0.00 O ATOM 398 CB ALA A 26 -13.097 -11.554 5.499 1.00 0.00 C ATOM 0 H ALA A 26 -14.194 -10.912 3.400 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.300 -9.812 6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.487 -11.585 6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.920 -12.263 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.484 -11.821 4.638 1.00 0.00 H new ATOM 404 N VAL A 27 -12.296 -8.448 4.183 1.00 0.00 N ATOM 405 CA VAL A 27 -11.239 -7.393 4.044 1.00 0.00 C ATOM 406 C VAL A 27 -11.778 -5.997 3.703 1.00 0.00 C ATOM 407 O VAL A 27 -11.609 -5.013 4.393 1.00 0.00 O ATOM 408 CB VAL A 27 -10.280 -7.770 2.921 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.028 -6.893 3.052 1.00 0.00 C ATOM 410 CG2 VAL A 27 -9.920 -9.273 2.936 1.00 0.00 C ATOM 0 H VAL A 27 -12.798 -8.649 3.318 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.758 -7.347 5.021 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.764 -7.593 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.324 -7.143 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.309 -5.843 2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.560 -7.069 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.235 -9.491 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.444 -9.524 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.827 -9.866 2.818 1.00 0.00 H new ATOM 420 N SER A 28 -12.435 -6.010 2.587 1.00 0.00 N ATOM 421 CA SER A 28 -13.075 -4.814 1.962 1.00 0.00 C ATOM 422 C SER A 28 -12.341 -3.423 2.102 1.00 0.00 C ATOM 423 O SER A 28 -12.629 -2.578 2.933 1.00 0.00 O ATOM 424 CB SER A 28 -14.507 -4.713 2.537 1.00 0.00 C ATOM 425 OG SER A 28 -14.310 -4.418 3.913 1.00 0.00 O ATOM 0 H SER A 28 -12.566 -6.861 2.041 1.00 0.00 H new ATOM 0 HA SER A 28 -13.035 -4.992 0.887 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.081 -3.931 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.056 -5.645 2.404 1.00 0.00 H new ATOM 0 HG SER A 28 -13.848 -3.558 4.000 1.00 0.00 H new ATOM 431 N ALA A 29 -11.380 -3.236 1.229 1.00 0.00 N ATOM 432 CA ALA A 29 -10.557 -1.973 1.204 1.00 0.00 C ATOM 433 C ALA A 29 -11.296 -0.645 0.821 1.00 0.00 C ATOM 434 O ALA A 29 -12.335 -0.670 0.191 1.00 0.00 O ATOM 435 CB ALA A 29 -9.420 -2.276 0.234 1.00 0.00 C ATOM 0 H ALA A 29 -11.122 -3.918 0.515 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.237 -1.750 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.768 -1.406 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.846 -3.127 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.832 -2.512 -0.747 1.00 0.00 H new ATOM 441 N TYR A 30 -10.737 0.493 1.191 1.00 0.00 N ATOM 442 CA TYR A 30 -11.365 1.835 0.874 1.00 0.00 C ATOM 443 C TYR A 30 -12.481 2.056 -0.158 1.00 0.00 C ATOM 444 O TYR A 30 -13.506 2.584 0.214 1.00 0.00 O ATOM 445 CB TYR A 30 -10.264 2.862 0.488 1.00 0.00 C ATOM 446 CG TYR A 30 -10.269 4.068 1.456 1.00 0.00 C ATOM 447 CD1 TYR A 30 -11.439 4.809 1.557 1.00 0.00 C ATOM 448 CD2 TYR A 30 -9.170 4.470 2.188 1.00 0.00 C ATOM 449 CE1 TYR A 30 -11.507 5.926 2.361 1.00 0.00 C ATOM 450 CE2 TYR A 30 -9.250 5.597 2.997 1.00 0.00 C ATOM 451 CZ TYR A 30 -10.415 6.327 3.084 1.00 0.00 C ATOM 452 OH TYR A 30 -10.488 7.461 3.863 1.00 0.00 O ATOM 0 H TYR A 30 -9.859 0.552 1.707 1.00 0.00 H new ATOM 0 HA TYR A 30 -11.893 1.943 1.821 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.287 2.379 0.508 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.427 3.209 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.310 4.505 0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.249 3.909 2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.427 6.489 2.421 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.386 5.905 3.566 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.629 7.606 4.312 1.00 0.00 H new ATOM 462 N CYS A 31 -12.277 1.665 -1.385 1.00 0.00 N ATOM 463 CA CYS A 31 -13.326 1.871 -2.432 1.00 0.00 C ATOM 464 C CYS A 31 -13.947 0.554 -2.912 1.00 0.00 C ATOM 465 O CYS A 31 -14.533 0.485 -3.975 1.00 0.00 O ATOM 466 CB CYS A 31 -12.648 2.619 -3.589 1.00 0.00 C ATOM 467 SG CYS A 31 -11.652 4.083 -3.211 1.00 0.00 S ATOM 0 H CYS A 31 -11.426 1.209 -1.713 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.156 2.444 -2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.007 1.909 -4.111 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.427 2.921 -4.289 1.00 0.00 H new ATOM 472 N ALA A 32 -13.834 -0.489 -2.131 1.00 0.00 N ATOM 473 CA ALA A 32 -14.424 -1.788 -2.560 1.00 0.00 C ATOM 474 C ALA A 32 -15.966 -1.715 -2.482 1.00 0.00 C ATOM 475 O ALA A 32 -16.651 -2.601 -2.945 1.00 0.00 O ATOM 476 CB ALA A 32 -13.821 -2.870 -1.650 1.00 0.00 C ATOM 0 H ALA A 32 -13.364 -0.497 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.191 -2.028 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.224 -3.844 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.737 -2.880 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.073 -2.654 -0.612 1.00 0.00 H new ATOM 482 N THR A 33 -16.454 -0.654 -1.896 1.00 0.00 N ATOM 483 CA THR A 33 -17.936 -0.409 -1.749 1.00 0.00 C ATOM 484 C THR A 33 -18.460 0.308 -3.011 1.00 0.00 C ATOM 485 O THR A 33 -19.631 0.248 -3.331 1.00 0.00 O ATOM 486 CB THR A 33 -18.227 0.527 -0.568 1.00 0.00 C ATOM 487 OG1 THR A 33 -17.761 -0.151 0.576 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.709 0.646 -0.238 1.00 0.00 C ATOM 0 H THR A 33 -15.873 0.083 -1.497 1.00 0.00 H new ATOM 0 HA THR A 33 -18.416 -1.376 -1.595 1.00 0.00 H new ATOM 0 HB THR A 33 -17.794 1.496 -0.816 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.918 0.401 1.370 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.841 1.323 0.606 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.244 1.037 -1.103 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.104 -0.337 0.020 1.00 0.00 H new ATOM 496 N TRP A 34 -17.548 0.969 -3.680 1.00 0.00 N ATOM 497 CA TRP A 34 -17.863 1.748 -4.919 1.00 0.00 C ATOM 498 C TRP A 34 -17.111 1.411 -6.222 1.00 0.00 C ATOM 499 O TRP A 34 -17.767 1.283 -7.233 1.00 0.00 O ATOM 500 CB TRP A 34 -17.660 3.214 -4.514 1.00 0.00 C ATOM 501 CG TRP A 34 -18.539 3.487 -3.281 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.880 3.265 -3.176 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.085 3.964 -2.114 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.138 3.629 -1.932 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.115 4.065 -1.212 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.804 4.330 -1.767 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -18.858 4.535 0.056 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.544 4.803 -0.496 1.00 0.00 C ATOM 509 CH2 TRP A 34 -17.575 4.904 0.418 1.00 0.00 C ATOM 0 H TRP A 34 -16.565 1.002 -3.409 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.877 1.484 -5.220 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.612 3.406 -4.286 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.934 3.878 -5.333 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.562 2.886 -3.923 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.080 3.577 -1.545 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.004 4.247 -2.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -19.662 4.616 0.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.541 5.092 -0.218 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -17.379 5.271 1.415 1.00 0.00 H new ATOM 520 N ASP A 35 -15.809 1.250 -6.240 1.00 0.00 N ATOM 521 CA ASP A 35 -15.120 0.930 -7.551 1.00 0.00 C ATOM 522 C ASP A 35 -15.281 -0.577 -7.857 1.00 0.00 C ATOM 523 O ASP A 35 -15.177 -1.028 -8.983 1.00 0.00 O ATOM 524 CB ASP A 35 -13.610 1.363 -7.411 1.00 0.00 C ATOM 525 CG ASP A 35 -13.468 2.882 -7.541 1.00 0.00 C ATOM 526 OD1 ASP A 35 -14.060 3.516 -6.691 1.00 0.00 O ATOM 527 OD2 ASP A 35 -12.789 3.301 -8.465 1.00 0.00 O ATOM 0 H ASP A 35 -15.197 1.322 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.561 1.471 -8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.221 1.038 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.013 0.870 -8.178 1.00 0.00 H new ATOM 532 N ALA A 36 -15.537 -1.335 -6.819 1.00 0.00 N ATOM 533 CA ALA A 36 -15.736 -2.821 -6.975 1.00 0.00 C ATOM 534 C ALA A 36 -16.811 -3.178 -8.055 1.00 0.00 C ATOM 535 O ALA A 36 -16.935 -4.319 -8.452 1.00 0.00 O ATOM 536 CB ALA A 36 -16.160 -3.384 -5.635 1.00 0.00 C ATOM 0 H ALA A 36 -15.618 -0.991 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.795 -3.256 -7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.310 -4.460 -5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.385 -3.185 -4.895 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.091 -2.912 -5.320 1.00 0.00 H new ATOM 542 N SER A 37 -17.550 -2.197 -8.502 1.00 0.00 N ATOM 543 CA SER A 37 -18.619 -2.395 -9.542 1.00 0.00 C ATOM 544 C SER A 37 -18.001 -2.327 -10.950 1.00 0.00 C ATOM 545 O SER A 37 -18.658 -2.589 -11.934 1.00 0.00 O ATOM 546 CB SER A 37 -19.647 -1.293 -9.403 1.00 0.00 C ATOM 547 OG SER A 37 -18.798 -0.168 -9.563 1.00 0.00 O ATOM 0 H SER A 37 -17.458 -1.233 -8.182 1.00 0.00 H new ATOM 0 HA SER A 37 -19.086 -3.370 -9.400 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.424 -1.345 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.149 -1.306 -8.435 1.00 0.00 H new ATOM 0 HG SER A 37 -18.633 0.244 -8.689 1.00 0.00 H new ATOM 553 N LYS A 38 -16.748 -1.970 -11.020 1.00 0.00 N ATOM 554 CA LYS A 38 -16.052 -1.881 -12.341 1.00 0.00 C ATOM 555 C LYS A 38 -15.544 -3.286 -12.700 1.00 0.00 C ATOM 556 O LYS A 38 -15.453 -4.133 -11.836 1.00 0.00 O ATOM 557 CB LYS A 38 -14.858 -0.913 -12.226 1.00 0.00 C ATOM 558 CG LYS A 38 -15.347 0.534 -12.145 1.00 0.00 C ATOM 559 CD LYS A 38 -14.108 1.441 -12.063 1.00 0.00 C ATOM 560 CE LYS A 38 -14.518 2.879 -12.267 1.00 0.00 C ATOM 561 NZ LYS A 38 -13.258 3.691 -12.287 1.00 0.00 N ATOM 0 H LYS A 38 -16.170 -1.734 -10.214 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.732 -1.514 -13.110 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.270 -1.155 -11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.201 -1.033 -13.087 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.947 0.785 -13.020 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.983 0.675 -11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.623 1.325 -11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.380 1.149 -12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.067 2.995 -13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.178 3.210 -11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.188 4.245 -11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.437 3.057 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.273 4.335 -13.103 1.00 0.00 H new ATOM 575 N PRO A 39 -15.222 -3.514 -13.948 1.00 0.00 N ATOM 576 CA PRO A 39 -14.533 -4.771 -14.347 1.00 0.00 C ATOM 577 C PRO A 39 -13.058 -4.809 -13.871 1.00 0.00 C ATOM 578 O PRO A 39 -12.562 -3.880 -13.257 1.00 0.00 O ATOM 579 CB PRO A 39 -14.715 -4.776 -15.867 1.00 0.00 C ATOM 580 CG PRO A 39 -14.596 -3.263 -16.194 1.00 0.00 C ATOM 581 CD PRO A 39 -15.488 -2.619 -15.113 1.00 0.00 C ATOM 0 HA PRO A 39 -14.940 -5.671 -13.887 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.950 -5.367 -16.370 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.680 -5.186 -16.164 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.565 -2.914 -16.131 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.949 -3.036 -17.200 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.208 -1.585 -14.910 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.540 -2.614 -15.397 1.00 0.00 H new ATOM 589 N LEU A 40 -12.420 -5.908 -14.177 1.00 0.00 N ATOM 590 CA LEU A 40 -10.989 -6.174 -13.825 1.00 0.00 C ATOM 591 C LEU A 40 -9.987 -5.213 -14.493 1.00 0.00 C ATOM 592 O LEU A 40 -9.062 -4.749 -13.858 1.00 0.00 O ATOM 593 CB LEU A 40 -10.733 -7.648 -14.218 1.00 0.00 C ATOM 594 CG LEU A 40 -10.888 -8.564 -12.975 1.00 0.00 C ATOM 595 CD1 LEU A 40 -11.175 -9.995 -13.429 1.00 0.00 C ATOM 596 CD2 LEU A 40 -9.527 -8.616 -12.265 1.00 0.00 C ATOM 0 H LEU A 40 -12.858 -6.676 -14.686 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.828 -5.999 -12.761 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.435 -7.953 -14.994 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.731 -7.753 -14.635 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.687 -8.184 -12.339 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.284 -10.639 -12.556 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.096 -10.014 -14.011 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.350 -10.354 -14.044 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.600 -9.253 -11.384 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.777 -9.021 -12.945 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.236 -7.610 -11.962 1.00 0.00 H new ATOM 608 N SER A 41 -10.207 -4.963 -15.757 1.00 0.00 N ATOM 609 CA SER A 41 -9.335 -4.051 -16.564 1.00 0.00 C ATOM 610 C SER A 41 -8.861 -2.794 -15.794 1.00 0.00 C ATOM 611 O SER A 41 -7.735 -2.706 -15.333 1.00 0.00 O ATOM 612 CB SER A 41 -10.160 -3.679 -17.866 1.00 0.00 C ATOM 613 OG SER A 41 -11.401 -3.107 -17.433 1.00 0.00 O ATOM 0 H SER A 41 -10.982 -5.367 -16.283 1.00 0.00 H new ATOM 0 HA SER A 41 -8.405 -4.562 -16.815 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.606 -2.973 -18.484 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.337 -4.565 -18.476 1.00 0.00 H new ATOM 0 HG SER A 41 -11.939 -2.862 -18.215 1.00 0.00 H new ATOM 619 N TRP A 42 -9.752 -1.847 -15.680 1.00 0.00 N ATOM 620 CA TRP A 42 -9.377 -0.584 -14.946 1.00 0.00 C ATOM 621 C TRP A 42 -8.702 -0.916 -13.589 1.00 0.00 C ATOM 622 O TRP A 42 -7.654 -0.370 -13.310 1.00 0.00 O ATOM 623 CB TRP A 42 -10.666 0.285 -14.760 1.00 0.00 C ATOM 624 CG TRP A 42 -10.343 1.595 -14.005 1.00 0.00 C ATOM 625 CD1 TRP A 42 -9.930 2.770 -14.584 1.00 0.00 C ATOM 626 CD2 TRP A 42 -10.408 1.767 -12.664 1.00 0.00 C ATOM 627 NE1 TRP A 42 -9.778 3.566 -13.543 1.00 0.00 N ATOM 628 CE2 TRP A 42 -10.036 3.057 -12.354 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.755 0.909 -11.638 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -10.006 3.496 -11.053 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.726 1.343 -10.330 1.00 0.00 C ATOM 632 CH2 TRP A 42 -10.352 2.638 -10.036 1.00 0.00 C ATOM 0 H TRP A 42 -10.702 -1.881 -16.050 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.649 -0.016 -15.525 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.096 0.518 -15.734 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.416 -0.282 -14.208 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -9.770 2.988 -15.630 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.474 4.533 -13.653 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.050 -0.106 -11.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.712 4.511 -10.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.997 0.667 -9.533 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.331 2.977 -9.011 1.00 0.00 H new ATOM 643 N ARG A 43 -9.313 -1.783 -12.813 1.00 0.00 N ATOM 644 CA ARG A 43 -8.741 -2.180 -11.474 1.00 0.00 C ATOM 645 C ARG A 43 -7.227 -2.554 -11.542 1.00 0.00 C ATOM 646 O ARG A 43 -6.409 -1.982 -10.842 1.00 0.00 O ATOM 647 CB ARG A 43 -9.498 -3.419 -10.893 1.00 0.00 C ATOM 648 CG ARG A 43 -11.037 -3.235 -10.640 1.00 0.00 C ATOM 649 CD ARG A 43 -11.604 -4.654 -10.277 1.00 0.00 C ATOM 650 NE ARG A 43 -13.033 -4.752 -10.762 1.00 0.00 N ATOM 651 CZ ARG A 43 -13.945 -5.488 -10.238 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.952 -6.722 -10.520 1.00 0.00 N ATOM 653 NH2 ARG A 43 -14.783 -4.927 -9.486 1.00 0.00 N ATOM 0 H ARG A 43 -10.194 -2.240 -13.049 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.863 -1.304 -10.837 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.361 -4.256 -11.577 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.027 -3.697 -9.950 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.215 -2.528 -9.830 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.530 -2.835 -11.526 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.996 -5.432 -10.738 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.560 -4.812 -9.199 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.293 -4.188 -11.571 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.246 -7.106 -11.148 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.664 -7.333 -10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.722 -3.924 -9.313 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.524 -5.475 -9.049 1.00 0.00 H new ATOM 667 N SER A 44 -6.864 -3.509 -12.373 1.00 0.00 N ATOM 668 CA SER A 44 -5.403 -3.901 -12.467 1.00 0.00 C ATOM 669 C SER A 44 -4.619 -2.715 -13.080 1.00 0.00 C ATOM 670 O SER A 44 -3.486 -2.520 -12.665 1.00 0.00 O ATOM 671 CB SER A 44 -5.209 -5.159 -13.376 1.00 0.00 C ATOM 672 OG SER A 44 -4.854 -4.726 -14.682 1.00 0.00 O ATOM 0 H SER A 44 -7.497 -4.028 -12.981 1.00 0.00 H new ATOM 0 HA SER A 44 -5.039 -4.142 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.431 -5.804 -12.967 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.126 -5.747 -13.409 1.00 0.00 H new ATOM 0 HG SER A 44 -4.728 -5.506 -15.262 1.00 0.00 H new ATOM 678 N LYS A 45 -5.245 -2.011 -14.022 1.00 0.00 N ATOM 679 CA LYS A 45 -4.655 -0.812 -14.742 1.00 0.00 C ATOM 680 C LYS A 45 -4.174 0.211 -13.689 1.00 0.00 C ATOM 681 O LYS A 45 -2.979 0.341 -13.520 1.00 0.00 O ATOM 682 CB LYS A 45 -5.784 -0.226 -15.700 1.00 0.00 C ATOM 683 CG LYS A 45 -5.215 0.760 -16.762 1.00 0.00 C ATOM 684 CD LYS A 45 -6.356 1.216 -17.764 1.00 0.00 C ATOM 685 CE LYS A 45 -7.084 2.492 -17.319 1.00 0.00 C ATOM 686 NZ LYS A 45 -8.145 2.838 -18.329 1.00 0.00 N ATOM 0 H LYS A 45 -6.190 -2.235 -14.333 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.791 -1.076 -15.351 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.288 -1.049 -16.207 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.535 0.287 -15.099 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.789 1.632 -16.266 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.407 0.281 -17.315 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.920 1.380 -18.749 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.082 0.410 -17.867 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.535 2.344 -16.338 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.375 3.314 -17.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.696 3.652 -17.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.696 3.078 -19.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.777 2.023 -18.461 1.00 0.00 H new ATOM 700 N TYR A 46 -5.069 0.903 -13.019 1.00 0.00 N ATOM 701 CA TYR A 46 -4.627 1.903 -11.961 1.00 0.00 C ATOM 702 C TYR A 46 -5.613 1.956 -10.781 1.00 0.00 C ATOM 703 O TYR A 46 -6.585 1.240 -10.800 1.00 0.00 O ATOM 704 CB TYR A 46 -4.480 3.364 -12.460 1.00 0.00 C ATOM 705 CG TYR A 46 -3.596 3.456 -13.695 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.251 3.164 -13.615 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.136 3.821 -14.900 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.443 3.227 -14.725 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.338 3.890 -16.019 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.988 3.588 -15.936 1.00 0.00 C ATOM 711 OH TYR A 46 -1.187 3.614 -17.053 1.00 0.00 O ATOM 0 H TYR A 46 -6.078 0.828 -13.149 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.646 1.529 -11.668 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.465 3.771 -12.688 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.058 3.978 -11.665 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.825 2.881 -12.664 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.188 4.055 -14.972 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.391 2.996 -14.648 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.766 4.181 -16.967 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.718 3.887 -17.830 1.00 0.00 H new ATOM 721 N GLY A 47 -5.391 2.788 -9.781 1.00 0.00 N ATOM 722 CA GLY A 47 -6.363 2.817 -8.611 1.00 0.00 C ATOM 723 C GLY A 47 -6.180 1.444 -7.926 1.00 0.00 C ATOM 724 O GLY A 47 -7.109 0.712 -7.634 1.00 0.00 O ATOM 0 H GLY A 47 -4.604 3.434 -9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.138 3.635 -7.927 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.389 2.958 -8.950 1.00 0.00 H new ATOM 728 N TRP A 48 -4.922 1.111 -7.682 1.00 0.00 N ATOM 729 CA TRP A 48 -4.593 -0.195 -7.049 1.00 0.00 C ATOM 730 C TRP A 48 -3.286 -0.481 -6.258 1.00 0.00 C ATOM 731 O TRP A 48 -2.403 -1.196 -6.699 1.00 0.00 O ATOM 732 CB TRP A 48 -4.807 -1.188 -8.217 1.00 0.00 C ATOM 733 CG TRP A 48 -4.997 -2.555 -7.624 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.019 -3.397 -7.203 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.204 -3.081 -7.414 1.00 0.00 C ATOM 736 NE1 TRP A 48 -4.736 -4.424 -6.745 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.054 -4.304 -6.839 1.00 0.00 C ATOM 738 CE3 TRP A 48 -7.460 -2.578 -7.688 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.157 -5.034 -6.526 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -8.571 -3.320 -7.373 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.421 -4.553 -6.790 1.00 0.00 C ATOM 0 H TRP A 48 -4.117 1.698 -7.899 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.227 -0.264 -6.165 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.678 -0.903 -8.807 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.949 -1.178 -8.889 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.947 -3.269 -7.231 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.297 -5.253 -6.346 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.568 -1.607 -8.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.041 -6.004 -6.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.558 -2.935 -7.583 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.290 -5.144 -6.539 1.00 0.00 H new ATOM 752 N THR A 49 -3.197 0.121 -5.113 1.00 0.00 N ATOM 753 CA THR A 49 -2.026 -0.053 -4.202 1.00 0.00 C ATOM 754 C THR A 49 -2.482 0.362 -2.816 1.00 0.00 C ATOM 755 O THR A 49 -3.531 0.980 -2.698 1.00 0.00 O ATOM 756 CB THR A 49 -0.821 0.815 -4.600 1.00 0.00 C ATOM 757 OG1 THR A 49 0.134 0.300 -3.692 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.864 2.228 -4.083 1.00 0.00 C ATOM 0 H THR A 49 -3.913 0.752 -4.752 1.00 0.00 H new ATOM 0 HA THR A 49 -1.699 -1.092 -4.251 1.00 0.00 H new ATOM 0 HB THR A 49 -0.701 0.806 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.953 0.065 -4.177 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.026 2.764 -4.414 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.753 2.729 -4.467 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.896 2.216 -2.994 1.00 0.00 H new ATOM 766 N ALA A 50 -1.683 0.014 -1.852 1.00 0.00 N ATOM 767 CA ALA A 50 -2.012 0.371 -0.464 1.00 0.00 C ATOM 768 C ALA A 50 -0.906 1.404 -0.198 1.00 0.00 C ATOM 769 O ALA A 50 0.265 1.107 -0.356 1.00 0.00 O ATOM 770 CB ALA A 50 -1.921 -0.904 0.367 1.00 0.00 C ATOM 0 H ALA A 50 -0.813 -0.505 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.001 0.772 -0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.159 -0.679 1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.628 -1.639 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.910 -1.307 0.306 1.00 0.00 H new ATOM 776 N PHE A 51 -1.292 2.599 0.167 1.00 0.00 N ATOM 777 CA PHE A 51 -0.252 3.651 0.435 1.00 0.00 C ATOM 778 C PHE A 51 -0.006 3.902 1.961 1.00 0.00 C ATOM 779 O PHE A 51 -0.918 3.885 2.761 1.00 0.00 O ATOM 780 CB PHE A 51 -0.719 4.988 -0.298 1.00 0.00 C ATOM 781 CG PHE A 51 -1.797 5.726 0.514 1.00 0.00 C ATOM 782 CD1 PHE A 51 -1.424 6.666 1.462 1.00 0.00 C ATOM 783 CD2 PHE A 51 -3.139 5.475 0.313 1.00 0.00 C ATOM 784 CE1 PHE A 51 -2.377 7.343 2.194 1.00 0.00 C ATOM 785 CE2 PHE A 51 -4.092 6.152 1.045 1.00 0.00 C ATOM 786 CZ PHE A 51 -3.714 7.085 1.985 1.00 0.00 C ATOM 0 H PHE A 51 -2.261 2.894 0.291 1.00 0.00 H new ATOM 0 HA PHE A 51 0.705 3.305 0.046 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.140 5.643 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.108 4.746 -1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.377 6.870 1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.445 4.745 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.076 8.074 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.140 5.949 0.880 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.463 7.613 2.556 1.00 0.00 H new ATOM 796 N CYS A 52 1.239 4.111 2.330 1.00 0.00 N ATOM 797 CA CYS A 52 1.596 4.380 3.784 1.00 0.00 C ATOM 798 C CYS A 52 2.970 5.079 4.093 1.00 0.00 C ATOM 799 O CYS A 52 3.853 4.530 4.725 1.00 0.00 O ATOM 800 CB CYS A 52 1.496 3.033 4.551 1.00 0.00 C ATOM 801 SG CYS A 52 2.120 1.494 3.843 1.00 0.00 S ATOM 0 H CYS A 52 2.034 4.109 1.691 1.00 0.00 H new ATOM 0 HA CYS A 52 0.877 5.129 4.116 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.006 3.173 5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.441 2.874 4.775 1.00 0.00 H new ATOM 806 N GLY A 53 3.086 6.292 3.620 1.00 0.00 N ATOM 807 CA GLY A 53 4.337 7.101 3.834 1.00 0.00 C ATOM 808 C GLY A 53 4.037 8.451 4.518 1.00 0.00 C ATOM 809 O GLY A 53 2.899 8.881 4.548 1.00 0.00 O ATOM 0 H GLY A 53 2.360 6.769 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.038 6.532 4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.823 7.280 2.875 1.00 0.00 H new ATOM 813 N PRO A 54 5.061 9.091 5.050 1.00 0.00 N ATOM 814 CA PRO A 54 4.923 10.375 5.820 1.00 0.00 C ATOM 815 C PRO A 54 4.389 11.564 4.995 1.00 0.00 C ATOM 816 O PRO A 54 3.656 12.398 5.489 1.00 0.00 O ATOM 817 CB PRO A 54 6.332 10.608 6.382 1.00 0.00 C ATOM 818 CG PRO A 54 7.242 9.939 5.320 1.00 0.00 C ATOM 819 CD PRO A 54 6.486 8.647 4.965 1.00 0.00 C ATOM 0 HA PRO A 54 4.164 10.297 6.598 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.553 11.670 6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.456 10.153 7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.378 10.578 4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.235 9.727 5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.742 8.284 3.970 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.705 7.840 5.664 1.00 0.00 H new ATOM 827 N ALA A 55 4.780 11.607 3.749 1.00 0.00 N ATOM 828 CA ALA A 55 4.329 12.716 2.851 1.00 0.00 C ATOM 829 C ALA A 55 3.328 12.197 1.811 1.00 0.00 C ATOM 830 O ALA A 55 3.490 11.098 1.300 1.00 0.00 O ATOM 831 CB ALA A 55 5.567 13.287 2.169 1.00 0.00 C ATOM 0 H ALA A 55 5.394 10.921 3.311 1.00 0.00 H new ATOM 0 HA ALA A 55 3.823 13.490 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.274 14.100 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.256 13.665 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.057 12.504 1.590 1.00 0.00 H new ATOM 837 N GLY A 56 2.344 13.036 1.546 1.00 0.00 N ATOM 838 CA GLY A 56 1.266 12.700 0.554 1.00 0.00 C ATOM 839 C GLY A 56 -0.176 12.870 1.074 1.00 0.00 C ATOM 840 O GLY A 56 -0.785 11.863 1.373 1.00 0.00 O ATOM 0 H GLY A 56 2.244 13.952 1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.395 13.329 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.400 11.668 0.231 1.00 0.00 H new ATOM 844 N PRO A 57 -0.698 14.074 1.163 1.00 0.00 N ATOM 845 CA PRO A 57 -2.062 14.252 1.734 1.00 0.00 C ATOM 846 C PRO A 57 -3.147 13.613 0.844 1.00 0.00 C ATOM 847 O PRO A 57 -3.569 14.164 -0.150 1.00 0.00 O ATOM 848 CB PRO A 57 -2.249 15.783 1.875 1.00 0.00 C ATOM 849 CG PRO A 57 -0.944 16.448 1.335 1.00 0.00 C ATOM 850 CD PRO A 57 -0.061 15.338 0.739 1.00 0.00 C ATOM 0 HA PRO A 57 -2.163 13.749 2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.117 16.120 1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.421 16.057 2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.181 17.195 0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.418 16.964 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.014 15.411 -0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.963 15.407 1.107 1.00 0.00 H new ATOM 858 N ARG A 58 -3.578 12.447 1.233 1.00 0.00 N ATOM 859 CA ARG A 58 -4.634 11.747 0.443 1.00 0.00 C ATOM 860 C ARG A 58 -5.714 11.048 1.311 1.00 0.00 C ATOM 861 O ARG A 58 -5.555 10.697 2.465 1.00 0.00 O ATOM 862 CB ARG A 58 -3.865 10.773 -0.509 1.00 0.00 C ATOM 863 CG ARG A 58 -4.405 9.347 -0.425 1.00 0.00 C ATOM 864 CD ARG A 58 -3.608 8.451 -1.329 1.00 0.00 C ATOM 865 NE ARG A 58 -2.218 8.362 -0.755 1.00 0.00 N ATOM 866 CZ ARG A 58 -1.163 8.087 -1.433 1.00 0.00 C ATOM 867 NH1 ARG A 58 -1.359 7.445 -2.506 1.00 0.00 N ATOM 868 NH2 ARG A 58 -0.005 8.443 -1.020 1.00 0.00 N ATOM 0 H ARG A 58 -3.248 11.948 2.059 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.229 12.462 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.945 11.131 -1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.806 10.775 -0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.349 8.986 0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.456 9.328 -0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.063 7.462 -1.390 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.581 8.852 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.107 8.533 0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.307 7.183 -2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.569 7.190 -3.099 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.089 8.952 -0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.824 8.217 -1.570 1.00 0.00 H new ATOM 882 N GLY A 59 -6.819 10.872 0.654 1.00 0.00 N ATOM 883 CA GLY A 59 -8.054 10.223 1.204 1.00 0.00 C ATOM 884 C GLY A 59 -8.933 9.967 -0.020 1.00 0.00 C ATOM 885 O GLY A 59 -8.437 10.085 -1.126 1.00 0.00 O ATOM 0 H GLY A 59 -6.929 11.173 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.816 9.294 1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.555 10.870 1.924 1.00 0.00 H new ATOM 889 N GLN A 60 -10.180 9.630 0.197 1.00 0.00 N ATOM 890 CA GLN A 60 -11.147 9.357 -0.931 1.00 0.00 C ATOM 891 C GLN A 60 -10.773 10.059 -2.286 1.00 0.00 C ATOM 892 O GLN A 60 -10.602 9.404 -3.289 1.00 0.00 O ATOM 893 CB GLN A 60 -12.578 9.774 -0.395 1.00 0.00 C ATOM 894 CG GLN A 60 -12.898 8.915 0.904 1.00 0.00 C ATOM 895 CD GLN A 60 -14.357 8.991 1.385 1.00 0.00 C ATOM 896 OE1 GLN A 60 -15.050 8.002 1.454 1.00 0.00 O ATOM 897 NE2 GLN A 60 -14.899 10.110 1.739 1.00 0.00 N ATOM 0 H GLN A 60 -10.585 9.528 1.128 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.117 8.300 -1.195 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.600 10.838 -0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.335 9.601 -1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.650 7.873 0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.246 9.248 1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.358 10.974 1.700 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.868 10.129 2.058 1.00 0.00 H new ATOM 906 N ALA A 61 -10.640 11.361 -2.312 1.00 0.00 N ATOM 907 CA ALA A 61 -10.278 12.120 -3.565 1.00 0.00 C ATOM 908 C ALA A 61 -9.138 11.494 -4.454 1.00 0.00 C ATOM 909 O ALA A 61 -9.009 11.822 -5.621 1.00 0.00 O ATOM 910 CB ALA A 61 -9.916 13.549 -3.092 1.00 0.00 C ATOM 0 H ALA A 61 -10.770 11.955 -1.493 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.130 12.093 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.642 14.159 -3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.775 13.995 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.076 13.501 -2.399 1.00 0.00 H new ATOM 916 N ALA A 62 -8.346 10.627 -3.874 1.00 0.00 N ATOM 917 CA ALA A 62 -7.206 9.931 -4.568 1.00 0.00 C ATOM 918 C ALA A 62 -7.612 8.523 -5.119 1.00 0.00 C ATOM 919 O ALA A 62 -6.958 7.971 -5.984 1.00 0.00 O ATOM 920 CB ALA A 62 -6.071 9.852 -3.517 1.00 0.00 C ATOM 0 H ALA A 62 -8.447 10.357 -2.895 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.887 10.480 -5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.205 9.355 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.793 10.859 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.416 9.286 -2.651 1.00 0.00 H new ATOM 926 N CYS A 63 -8.690 8.000 -4.585 1.00 0.00 N ATOM 927 CA CYS A 63 -9.269 6.656 -4.964 1.00 0.00 C ATOM 928 C CYS A 63 -9.083 6.305 -6.454 1.00 0.00 C ATOM 929 O CYS A 63 -8.849 5.166 -6.800 1.00 0.00 O ATOM 930 CB CYS A 63 -10.788 6.668 -4.584 1.00 0.00 C ATOM 931 SG CYS A 63 -11.774 5.179 -4.904 1.00 0.00 S ATOM 0 H CYS A 63 -9.226 8.475 -3.859 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.730 5.882 -4.417 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.861 6.891 -3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.256 7.496 -5.116 1.00 0.00 H new ATOM 936 N GLY A 64 -9.193 7.313 -7.292 1.00 0.00 N ATOM 937 CA GLY A 64 -9.043 7.146 -8.782 1.00 0.00 C ATOM 938 C GLY A 64 -7.816 7.836 -9.407 1.00 0.00 C ATOM 939 O GLY A 64 -7.901 8.358 -10.500 1.00 0.00 O ATOM 0 H GLY A 64 -9.386 8.271 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.993 6.081 -9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.940 7.532 -9.265 1.00 0.00 H new ATOM 943 N LYS A 65 -6.720 7.818 -8.697 1.00 0.00 N ATOM 944 CA LYS A 65 -5.439 8.438 -9.176 1.00 0.00 C ATOM 945 C LYS A 65 -4.268 7.434 -9.096 1.00 0.00 C ATOM 946 O LYS A 65 -4.405 6.299 -8.659 1.00 0.00 O ATOM 947 CB LYS A 65 -5.158 9.701 -8.312 1.00 0.00 C ATOM 948 CG LYS A 65 -6.215 10.774 -8.687 1.00 0.00 C ATOM 949 CD LYS A 65 -5.916 12.054 -7.855 1.00 0.00 C ATOM 950 CE LYS A 65 -6.977 13.185 -7.979 1.00 0.00 C ATOM 951 NZ LYS A 65 -8.361 12.611 -7.968 1.00 0.00 N ATOM 0 H LYS A 65 -6.653 7.387 -7.775 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.536 8.722 -10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.218 9.460 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.151 10.075 -8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.173 10.994 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.220 10.409 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.827 11.774 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.948 12.450 -8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.863 13.890 -7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.816 13.743 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.057 13.383 -8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.488 11.995 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.500 12.056 -7.100 1.00 0.00 H new ATOM 965 N CYS A 66 -3.129 7.923 -9.517 1.00 0.00 N ATOM 966 CA CYS A 66 -1.863 7.134 -9.543 1.00 0.00 C ATOM 967 C CYS A 66 -0.704 7.727 -8.683 1.00 0.00 C ATOM 968 O CYS A 66 -0.732 8.832 -8.178 1.00 0.00 O ATOM 969 CB CYS A 66 -1.509 7.046 -11.029 1.00 0.00 C ATOM 970 SG CYS A 66 -2.465 5.857 -12.011 1.00 0.00 S ATOM 0 H CYS A 66 -3.024 8.879 -9.858 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.007 6.157 -9.081 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.635 8.035 -11.470 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.453 6.791 -11.115 1.00 0.00 H new ATOM 975 N LEU A 67 0.328 6.960 -8.513 1.00 0.00 N ATOM 976 CA LEU A 67 1.517 7.431 -7.703 1.00 0.00 C ATOM 977 C LEU A 67 2.759 7.179 -8.582 1.00 0.00 C ATOM 978 O LEU A 67 2.881 6.089 -9.096 1.00 0.00 O ATOM 979 CB LEU A 67 1.548 6.594 -6.387 1.00 0.00 C ATOM 980 CG LEU A 67 1.429 7.450 -5.101 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.348 6.473 -3.911 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.683 8.279 -4.900 1.00 0.00 C ATOM 0 H LEU A 67 0.416 6.019 -8.896 1.00 0.00 H new ATOM 0 HA LEU A 67 1.476 8.486 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.733 5.870 -6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.478 6.026 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 67 0.560 8.103 -5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.263 7.037 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.475 5.830 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.249 5.860 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.584 8.875 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.545 7.618 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.823 8.941 -5.755 1.00 0.00 H new ATOM 994 N ARG A 68 3.665 8.095 -8.757 1.00 0.00 N ATOM 995 CA ARG A 68 4.831 7.757 -9.629 1.00 0.00 C ATOM 996 C ARG A 68 5.826 7.124 -8.642 1.00 0.00 C ATOM 997 O ARG A 68 6.162 7.718 -7.628 1.00 0.00 O ATOM 998 CB ARG A 68 5.354 9.063 -10.257 1.00 0.00 C ATOM 999 CG ARG A 68 6.399 8.698 -11.338 1.00 0.00 C ATOM 1000 CD ARG A 68 7.014 9.989 -11.877 1.00 0.00 C ATOM 1001 NE ARG A 68 8.205 9.559 -12.688 1.00 0.00 N ATOM 1002 CZ ARG A 68 9.394 9.856 -12.309 1.00 0.00 C ATOM 1003 NH1 ARG A 68 9.730 9.681 -11.097 1.00 0.00 N ATOM 1004 NH2 ARG A 68 10.202 10.314 -13.176 1.00 0.00 N ATOM 0 H ARG A 68 3.658 9.032 -8.353 1.00 0.00 H new ATOM 0 HA ARG A 68 4.621 7.084 -10.460 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.533 9.628 -10.698 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.803 9.698 -9.494 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.173 8.058 -10.915 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.928 8.137 -12.145 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.299 10.538 -12.490 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.311 10.651 -11.064 1.00 0.00 H new ATOM 0 HE ARG A 68 8.066 9.027 -13.547 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.056 9.306 -10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.674 9.916 -10.791 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.898 10.436 -14.142 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.154 10.560 -12.906 1.00 0.00 H new ATOM 1018 N VAL A 69 6.253 5.936 -8.985 1.00 0.00 N ATOM 1019 CA VAL A 69 7.213 5.162 -8.136 1.00 0.00 C ATOM 1020 C VAL A 69 8.499 4.874 -8.927 1.00 0.00 C ATOM 1021 O VAL A 69 8.474 4.138 -9.899 1.00 0.00 O ATOM 1022 CB VAL A 69 6.508 3.840 -7.716 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.374 3.028 -6.741 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.171 4.134 -7.029 1.00 0.00 C ATOM 0 H VAL A 69 5.970 5.457 -9.840 1.00 0.00 H new ATOM 0 HA VAL A 69 7.494 5.730 -7.249 1.00 0.00 H new ATOM 0 HB VAL A 69 6.347 3.265 -8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.852 2.111 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.322 2.778 -7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.564 3.618 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.695 3.196 -6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.345 4.739 -6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.521 4.677 -7.715 1.00 0.00 H new ATOM 1034 N THR A 70 9.577 5.464 -8.469 1.00 0.00 N ATOM 1035 CA THR A 70 10.917 5.278 -9.143 1.00 0.00 C ATOM 1036 C THR A 70 11.912 4.610 -8.164 1.00 0.00 C ATOM 1037 O THR A 70 11.817 4.747 -6.953 1.00 0.00 O ATOM 1038 CB THR A 70 11.475 6.683 -9.615 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.833 7.002 -10.850 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.960 6.624 -10.024 1.00 0.00 C ATOM 0 H THR A 70 9.593 6.073 -7.651 1.00 0.00 H new ATOM 0 HA THR A 70 10.796 4.633 -10.013 1.00 0.00 H new ATOM 0 HB THR A 70 11.315 7.378 -8.791 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.508 7.262 -11.512 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.290 7.614 -10.339 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.559 6.295 -9.175 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.083 5.921 -10.848 1.00 0.00 H new ATOM 1048 N ASN A 71 12.852 3.901 -8.732 1.00 0.00 N ATOM 1049 CA ASN A 71 13.898 3.183 -7.944 1.00 0.00 C ATOM 1050 C ASN A 71 15.359 3.644 -8.203 1.00 0.00 C ATOM 1051 O ASN A 71 16.036 3.058 -9.033 1.00 0.00 O ATOM 1052 CB ASN A 71 13.728 1.691 -8.263 1.00 0.00 C ATOM 1053 CG ASN A 71 14.844 0.941 -7.544 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.161 1.232 -6.418 1.00 0.00 O ATOM 1055 ND2 ASN A 71 15.509 -0.021 -8.075 1.00 0.00 N ATOM 0 H ASN A 71 12.940 3.787 -9.742 1.00 0.00 H new ATOM 0 HA ASN A 71 13.747 3.410 -6.889 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.752 1.336 -7.932 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.781 1.520 -9.338 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.249 -0.483 -7.546 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.297 -0.323 -9.026 1.00 0.00 H new ATOM 1062 N PRO A 72 15.824 4.660 -7.495 1.00 0.00 N ATOM 1063 CA PRO A 72 17.133 5.333 -7.785 1.00 0.00 C ATOM 1064 C PRO A 72 18.217 4.297 -8.094 1.00 0.00 C ATOM 1065 O PRO A 72 18.955 4.406 -9.049 1.00 0.00 O ATOM 1066 CB PRO A 72 17.423 6.159 -6.537 1.00 0.00 C ATOM 1067 CG PRO A 72 16.020 6.524 -6.021 1.00 0.00 C ATOM 1068 CD PRO A 72 15.152 5.265 -6.307 1.00 0.00 C ATOM 0 HA PRO A 72 17.105 5.970 -8.669 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.987 5.589 -5.799 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.010 7.048 -6.770 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.038 6.758 -4.957 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.626 7.401 -6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.140 4.581 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.116 5.528 -6.519 1.00 0.00 H new ATOM 1076 N ALA A 73 18.244 3.322 -7.223 1.00 0.00 N ATOM 1077 CA ALA A 73 19.209 2.186 -7.306 1.00 0.00 C ATOM 1078 C ALA A 73 19.463 1.689 -8.745 1.00 0.00 C ATOM 1079 O ALA A 73 20.590 1.439 -9.122 1.00 0.00 O ATOM 1080 CB ALA A 73 18.643 1.056 -6.422 1.00 0.00 C ATOM 0 H ALA A 73 17.610 3.266 -6.426 1.00 0.00 H new ATOM 0 HA ALA A 73 20.185 2.524 -6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.317 0.200 -6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.549 1.410 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.663 0.759 -6.795 1.00 0.00 H new ATOM 1086 N THR A 74 18.396 1.573 -9.494 1.00 0.00 N ATOM 1087 CA THR A 74 18.507 1.085 -10.917 1.00 0.00 C ATOM 1088 C THR A 74 18.109 2.116 -11.949 1.00 0.00 C ATOM 1089 O THR A 74 18.624 2.121 -13.048 1.00 0.00 O ATOM 1090 CB THR A 74 17.611 -0.155 -11.144 1.00 0.00 C ATOM 1091 OG1 THR A 74 16.252 0.225 -10.937 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.859 -1.166 -10.030 1.00 0.00 C ATOM 0 H THR A 74 17.448 1.794 -9.188 1.00 0.00 H new ATOM 0 HA THR A 74 19.563 0.850 -11.049 1.00 0.00 H new ATOM 0 HB THR A 74 17.816 -0.549 -12.139 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.670 -0.551 -11.079 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.229 -2.042 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.907 -1.467 -10.038 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.619 -0.714 -9.068 1.00 0.00 H new ATOM 1100 N GLY A 75 17.192 2.948 -11.564 1.00 0.00 N ATOM 1101 CA GLY A 75 16.691 4.015 -12.476 1.00 0.00 C ATOM 1102 C GLY A 75 15.330 3.578 -12.985 1.00 0.00 C ATOM 1103 O GLY A 75 14.661 4.350 -13.638 1.00 0.00 O ATOM 0 H GLY A 75 16.758 2.938 -10.641 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.616 4.966 -11.949 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.381 4.165 -13.306 1.00 0.00 H new ATOM 1107 N ALA A 76 14.935 2.360 -12.685 1.00 0.00 N ATOM 1108 CA ALA A 76 13.601 1.907 -13.178 1.00 0.00 C ATOM 1109 C ALA A 76 12.459 2.694 -12.487 1.00 0.00 C ATOM 1110 O ALA A 76 12.625 3.274 -11.427 1.00 0.00 O ATOM 1111 CB ALA A 76 13.500 0.391 -12.892 1.00 0.00 C ATOM 0 H ALA A 76 15.463 1.681 -12.137 1.00 0.00 H new ATOM 0 HA ALA A 76 13.499 2.095 -14.247 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.536 0.019 -13.238 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.300 -0.132 -13.415 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.592 0.216 -11.820 1.00 0.00 H new ATOM 1117 N GLN A 77 11.327 2.693 -13.138 1.00 0.00 N ATOM 1118 CA GLN A 77 10.125 3.399 -12.604 1.00 0.00 C ATOM 1119 C GLN A 77 8.807 2.882 -13.211 1.00 0.00 C ATOM 1120 O GLN A 77 8.753 2.465 -14.350 1.00 0.00 O ATOM 1121 CB GLN A 77 10.304 4.910 -12.878 1.00 0.00 C ATOM 1122 CG GLN A 77 10.650 5.190 -14.379 1.00 0.00 C ATOM 1123 CD GLN A 77 10.636 6.686 -14.702 1.00 0.00 C ATOM 1124 OE1 GLN A 77 11.199 7.149 -15.665 1.00 0.00 O ATOM 1125 NE2 GLN A 77 10.012 7.539 -13.958 1.00 0.00 N ATOM 0 H GLN A 77 11.182 2.225 -14.033 1.00 0.00 H new ATOM 0 HA GLN A 77 10.050 3.205 -11.534 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.389 5.439 -12.611 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.097 5.304 -12.242 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.634 4.779 -14.607 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.933 4.674 -15.018 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.513 7.222 -13.127 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.018 8.529 -14.202 1.00 0.00 H new ATOM 1134 N ILE A 78 7.802 2.927 -12.379 1.00 0.00 N ATOM 1135 CA ILE A 78 6.402 2.495 -12.697 1.00 0.00 C ATOM 1136 C ILE A 78 5.350 3.518 -12.143 1.00 0.00 C ATOM 1137 O ILE A 78 5.691 4.417 -11.389 1.00 0.00 O ATOM 1138 CB ILE A 78 6.261 1.110 -12.066 1.00 0.00 C ATOM 1139 CG1 ILE A 78 5.147 0.280 -12.749 1.00 0.00 C ATOM 1140 CG2 ILE A 78 6.023 1.220 -10.539 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.727 -0.434 -14.004 1.00 0.00 C ATOM 0 H ILE A 78 7.902 3.270 -11.424 1.00 0.00 H new ATOM 0 HA ILE A 78 6.215 2.457 -13.770 1.00 0.00 H new ATOM 0 HB ILE A 78 7.200 0.580 -12.224 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.747 -0.456 -12.051 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.320 0.929 -13.036 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.926 0.221 -10.113 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.866 1.732 -10.075 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.109 1.784 -10.353 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.943 -1.018 -14.485 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.106 0.311 -14.704 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.540 -1.095 -13.703 1.00 0.00 H new ATOM 1153 N THR A 79 4.103 3.353 -12.515 1.00 0.00 N ATOM 1154 CA THR A 79 3.005 4.275 -12.032 1.00 0.00 C ATOM 1155 C THR A 79 2.139 3.402 -11.122 1.00 0.00 C ATOM 1156 O THR A 79 1.517 2.490 -11.623 1.00 0.00 O ATOM 1157 CB THR A 79 2.143 4.800 -13.229 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.916 5.835 -13.823 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.953 5.602 -12.758 1.00 0.00 C ATOM 0 H THR A 79 3.787 2.612 -13.140 1.00 0.00 H new ATOM 0 HA THR A 79 3.410 5.151 -11.525 1.00 0.00 H new ATOM 0 HB THR A 79 1.859 3.943 -13.840 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.430 6.209 -14.587 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.382 5.947 -13.620 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.319 4.977 -12.130 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.298 6.462 -12.184 1.00 0.00 H new ATOM 1167 N ALA A 80 2.095 3.660 -9.841 1.00 0.00 N ATOM 1168 CA ALA A 80 1.246 2.795 -8.946 1.00 0.00 C ATOM 1169 C ALA A 80 -0.179 3.250 -9.078 1.00 0.00 C ATOM 1170 O ALA A 80 -0.451 4.347 -9.525 1.00 0.00 O ATOM 1171 CB ALA A 80 1.570 2.934 -7.467 1.00 0.00 C ATOM 0 H ALA A 80 2.597 4.416 -9.376 1.00 0.00 H new ATOM 0 HA ALA A 80 1.429 1.766 -9.255 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.917 2.280 -6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.609 2.654 -7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.416 3.967 -7.156 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.039 2.380 -8.645 1.00 0.00 N ATOM 1178 CA ARG A 81 -2.457 2.609 -8.698 1.00 0.00 C ATOM 1179 C ARG A 81 -2.838 2.986 -7.231 1.00 0.00 C ATOM 1180 O ARG A 81 -2.559 2.182 -6.373 1.00 0.00 O ATOM 1181 CB ARG A 81 -2.786 1.200 -9.311 1.00 0.00 C ATOM 1182 CG ARG A 81 -1.804 0.817 -10.495 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.149 -0.528 -11.075 1.00 0.00 C ATOM 1184 NE ARG A 81 -1.702 -1.558 -10.084 1.00 0.00 N ATOM 1185 CZ ARG A 81 -0.666 -2.242 -10.310 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -0.810 -3.053 -11.275 1.00 0.00 N ATOM 1187 NH2 ARG A 81 0.359 -2.040 -9.574 1.00 0.00 N ATOM 0 H ARG A 81 -0.777 1.481 -8.240 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.968 3.390 -9.260 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.723 0.442 -8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.813 1.196 -9.677 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.857 1.577 -11.275 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.777 0.806 -10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.221 -0.607 -11.256 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.652 -0.674 -12.034 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.235 -1.707 -9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.698 -3.098 -11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.038 -3.660 -11.551 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.323 -1.343 -8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.213 -2.576 -9.730 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.423 4.123 -6.950 1.00 0.00 N ATOM 1202 CA ILE A 82 -3.800 4.483 -5.515 1.00 0.00 C ATOM 1203 C ILE A 82 -5.213 4.039 -5.072 1.00 0.00 C ATOM 1204 O ILE A 82 -6.137 4.424 -5.745 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.762 6.014 -5.283 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.409 6.590 -5.730 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.014 6.269 -3.762 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.358 8.098 -5.418 1.00 0.00 C ATOM 0 H ILE A 82 -3.664 4.831 -7.644 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.055 3.943 -4.931 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.531 6.513 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.596 6.075 -5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.268 6.425 -6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.993 7.341 -3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.988 5.867 -3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.237 5.777 -3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.397 8.503 -5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.161 8.607 -5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.479 8.252 -4.346 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.426 3.284 -4.023 1.00 0.00 N ATOM 1221 CA VAL A 83 -6.860 2.917 -3.658 1.00 0.00 C ATOM 1222 C VAL A 83 -7.049 2.526 -2.168 1.00 0.00 C ATOM 1223 O VAL A 83 -8.006 2.893 -1.511 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.335 1.749 -4.583 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.017 0.353 -4.021 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.849 1.851 -4.777 1.00 0.00 C ATOM 0 H VAL A 83 -4.703 2.908 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.467 3.810 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.793 1.855 -5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.375 -0.408 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.940 0.249 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.511 0.227 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.189 1.040 -5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.346 1.778 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.093 2.808 -5.239 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.088 1.783 -1.696 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.073 1.292 -0.297 1.00 0.00 C ATOM 1238 C ASP A 84 -4.951 1.997 0.495 1.00 0.00 C ATOM 1239 O ASP A 84 -4.066 2.627 -0.057 1.00 0.00 O ATOM 1240 CB ASP A 84 -5.883 -0.245 -0.386 1.00 0.00 C ATOM 1241 CG ASP A 84 -5.771 -0.837 1.008 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -6.632 -0.492 1.797 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -4.836 -1.591 1.201 1.00 0.00 O ATOM 0 H ASP A 84 -5.283 1.487 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.995 1.515 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.725 -0.694 -0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.986 -0.476 -0.961 1.00 0.00 H new ATOM 1248 N GLN A 85 -5.043 1.848 1.788 1.00 0.00 N ATOM 1249 CA GLN A 85 -4.054 2.454 2.737 1.00 0.00 C ATOM 1250 C GLN A 85 -3.490 1.342 3.655 1.00 0.00 C ATOM 1251 O GLN A 85 -4.190 0.395 3.953 1.00 0.00 O ATOM 1252 CB GLN A 85 -4.793 3.489 3.565 1.00 0.00 C ATOM 1253 CG GLN A 85 -3.792 4.377 4.380 1.00 0.00 C ATOM 1254 CD GLN A 85 -4.477 4.942 5.620 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -4.503 4.338 6.668 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -5.061 6.094 5.582 1.00 0.00 N ATOM 0 H GLN A 85 -5.784 1.316 2.243 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.226 2.920 2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.395 4.120 2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.481 2.990 4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.925 3.785 4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.426 5.192 3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.063 6.637 4.718 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.520 6.461 6.416 1.00 0.00 H new ATOM 1265 N CYS A 86 -2.267 1.469 4.091 1.00 0.00 N ATOM 1266 CA CYS A 86 -1.724 0.392 4.988 1.00 0.00 C ATOM 1267 C CYS A 86 -1.481 0.950 6.410 1.00 0.00 C ATOM 1268 O CYS A 86 -1.234 2.126 6.598 1.00 0.00 O ATOM 1269 CB CYS A 86 -0.418 -0.148 4.355 1.00 0.00 C ATOM 1270 SG CYS A 86 1.187 0.219 5.103 1.00 0.00 S ATOM 0 H CYS A 86 -1.634 2.240 3.879 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.440 -0.424 5.085 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.509 -1.233 4.306 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.385 0.215 3.328 1.00 0.00 H new ATOM 1275 N ALA A 87 -1.564 0.096 7.398 1.00 0.00 N ATOM 1276 CA ALA A 87 -1.344 0.547 8.822 1.00 0.00 C ATOM 1277 C ALA A 87 -0.108 -0.149 9.427 1.00 0.00 C ATOM 1278 O ALA A 87 0.086 -0.216 10.626 1.00 0.00 O ATOM 1279 CB ALA A 87 -2.627 0.208 9.608 1.00 0.00 C ATOM 0 H ALA A 87 -1.774 -0.896 7.289 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.149 1.619 8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.510 0.519 10.646 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.474 0.732 9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.805 -0.867 9.568 1.00 0.00 H new ATOM 1285 N ASN A 88 0.694 -0.649 8.531 1.00 0.00 N ATOM 1286 CA ASN A 88 1.953 -1.372 8.901 1.00 0.00 C ATOM 1287 C ASN A 88 3.080 -1.225 7.859 1.00 0.00 C ATOM 1288 O ASN A 88 4.201 -0.877 8.178 1.00 0.00 O ATOM 1289 CB ASN A 88 1.561 -2.863 9.121 1.00 0.00 C ATOM 1290 CG ASN A 88 0.551 -3.352 8.074 1.00 0.00 C ATOM 1291 OD1 ASN A 88 0.703 -3.203 6.886 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -0.525 -3.957 8.444 1.00 0.00 N ATOM 0 H ASN A 88 0.528 -0.587 7.526 1.00 0.00 H new ATOM 0 HA ASN A 88 2.371 -0.932 9.806 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.456 -3.483 9.079 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.137 -2.983 10.118 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.194 -4.281 7.745 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.708 -4.112 9.435 1.00 0.00 H new ATOM 1299 N GLY A 89 2.718 -1.508 6.636 1.00 0.00 N ATOM 1300 CA GLY A 89 3.654 -1.431 5.472 1.00 0.00 C ATOM 1301 C GLY A 89 3.026 -2.050 4.208 1.00 0.00 C ATOM 1302 O GLY A 89 1.957 -2.633 4.210 1.00 0.00 O ATOM 0 H GLY A 89 1.774 -1.801 6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.914 -0.390 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.581 -1.952 5.713 1.00 0.00 H new ATOM 1306 N GLY A 90 3.757 -1.878 3.145 1.00 0.00 N ATOM 1307 CA GLY A 90 3.348 -2.387 1.801 1.00 0.00 C ATOM 1308 C GLY A 90 3.100 -1.204 0.859 1.00 0.00 C ATOM 1309 O GLY A 90 2.685 -0.140 1.271 1.00 0.00 O ATOM 0 H GLY A 90 4.652 -1.389 3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.125 -3.033 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.445 -2.991 1.889 1.00 0.00 H new ATOM 1313 N LEU A 91 3.367 -1.427 -0.400 1.00 0.00 N ATOM 1314 CA LEU A 91 3.160 -0.340 -1.425 1.00 0.00 C ATOM 1315 C LEU A 91 2.357 -0.951 -2.589 1.00 0.00 C ATOM 1316 O LEU A 91 2.491 -0.592 -3.748 1.00 0.00 O ATOM 1317 CB LEU A 91 4.553 0.145 -1.895 1.00 0.00 C ATOM 1318 CG LEU A 91 4.413 1.423 -2.760 1.00 0.00 C ATOM 1319 CD1 LEU A 91 4.300 2.651 -1.852 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.629 1.557 -3.666 1.00 0.00 C ATOM 0 H LEU A 91 3.719 -2.310 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 91 2.613 0.513 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.185 0.350 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.044 -0.640 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 91 3.514 1.351 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.202 3.548 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.424 2.551 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.194 2.730 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.532 2.456 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.530 1.627 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.697 0.684 -4.315 1.00 0.00 H new ATOM 1332 N ASP A 92 1.526 -1.870 -2.209 1.00 0.00 N ATOM 1333 CA ASP A 92 0.665 -2.590 -3.173 1.00 0.00 C ATOM 1334 C ASP A 92 -0.323 -3.513 -2.454 1.00 0.00 C ATOM 1335 O ASP A 92 -0.301 -3.627 -1.242 1.00 0.00 O ATOM 1336 CB ASP A 92 1.651 -3.355 -4.182 1.00 0.00 C ATOM 1337 CG ASP A 92 3.033 -3.784 -3.623 1.00 0.00 C ATOM 1338 OD1 ASP A 92 3.151 -3.906 -2.413 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.904 -3.960 -4.479 1.00 0.00 O ATOM 0 H ASP A 92 1.405 -2.161 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 92 0.031 -1.908 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.140 -4.247 -4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.819 -2.711 -5.045 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.156 -4.128 -3.257 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.195 -5.069 -2.742 1.00 0.00 C ATOM 1346 C LEU A 93 -1.676 -6.492 -2.940 1.00 0.00 C ATOM 1347 O LEU A 93 -1.549 -7.221 -1.981 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.523 -4.837 -3.532 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.370 -3.703 -2.908 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -3.685 -2.368 -3.090 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.704 -3.590 -3.646 1.00 0.00 C ATOM 0 H LEU A 93 -1.158 -4.013 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.395 -4.904 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.292 -4.590 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.104 -5.759 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.504 -3.938 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.295 -1.582 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.710 -2.390 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.555 -2.168 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.298 -2.790 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.521 -3.367 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.246 -4.532 -3.564 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.390 -6.897 -4.148 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.880 -8.270 -4.305 1.00 0.00 C ATOM 1365 C ASP A 94 0.670 -8.175 -4.192 1.00 0.00 C ATOM 1366 O ASP A 94 1.259 -7.792 -3.198 1.00 0.00 O ATOM 1367 CB ASP A 94 -1.469 -8.749 -5.680 1.00 0.00 C ATOM 1368 CG ASP A 94 -0.998 -10.160 -5.975 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -1.509 -11.050 -5.321 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -0.137 -10.214 -6.837 1.00 0.00 O ATOM 0 H ASP A 94 -1.486 -6.349 -5.003 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.174 -9.008 -3.558 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.558 -8.718 -5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.152 -8.076 -6.476 1.00 0.00 H new ATOM 1375 N TRP A 95 1.283 -8.523 -5.272 1.00 0.00 N ATOM 1376 CA TRP A 95 2.767 -8.522 -5.404 1.00 0.00 C ATOM 1377 C TRP A 95 3.214 -8.391 -6.869 1.00 0.00 C ATOM 1378 O TRP A 95 4.193 -7.744 -7.183 1.00 0.00 O ATOM 1379 CB TRP A 95 3.224 -9.810 -4.788 1.00 0.00 C ATOM 1380 CG TRP A 95 4.709 -10.026 -5.117 1.00 0.00 C ATOM 1381 CD1 TRP A 95 5.708 -9.116 -4.939 1.00 0.00 C ATOM 1382 CD2 TRP A 95 5.224 -11.147 -5.651 1.00 0.00 C ATOM 1383 NE1 TRP A 95 6.773 -9.755 -5.382 1.00 0.00 N ATOM 1384 CE2 TRP A 95 6.578 -10.986 -5.833 1.00 0.00 C ATOM 1385 CE3 TRP A 95 4.602 -12.331 -6.008 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 7.314 -12.016 -6.380 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 5.339 -13.359 -6.554 1.00 0.00 C ATOM 1388 CH2 TRP A 95 6.696 -13.203 -6.741 1.00 0.00 C ATOM 0 H TRP A 95 0.797 -8.825 -6.116 1.00 0.00 H new ATOM 0 HA TRP A 95 3.211 -7.663 -4.901 1.00 0.00 H new ATOM 0 HB2 TRP A 95 3.078 -9.783 -3.708 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.630 -10.641 -5.169 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.643 -8.117 -4.534 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.698 -9.325 -5.378 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.539 -12.449 -5.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 8.377 -11.897 -6.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.856 -14.283 -6.834 1.00 0.00 H new ATOM 0 HH2 TRP A 95 7.278 -14.006 -7.169 1.00 0.00 H new ATOM 1399 N ASP A 96 2.460 -8.999 -7.745 1.00 0.00 N ATOM 1400 CA ASP A 96 2.805 -8.941 -9.205 1.00 0.00 C ATOM 1401 C ASP A 96 2.273 -7.591 -9.754 1.00 0.00 C ATOM 1402 O ASP A 96 2.159 -7.309 -10.931 1.00 0.00 O ATOM 1403 CB ASP A 96 2.137 -10.200 -9.836 1.00 0.00 C ATOM 1404 CG ASP A 96 2.195 -10.161 -11.373 1.00 0.00 C ATOM 1405 OD1 ASP A 96 3.307 -10.074 -11.870 1.00 0.00 O ATOM 1406 OD2 ASP A 96 1.133 -10.220 -11.977 1.00 0.00 O ATOM 0 H ASP A 96 1.621 -9.533 -7.519 1.00 0.00 H new ATOM 0 HA ASP A 96 3.871 -8.966 -9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.638 -11.098 -9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.098 -10.263 -9.512 1.00 0.00 H new ATOM 1411 N THR A 97 1.981 -6.744 -8.815 1.00 0.00 N ATOM 1412 CA THR A 97 1.448 -5.393 -9.102 1.00 0.00 C ATOM 1413 C THR A 97 2.590 -4.395 -9.255 1.00 0.00 C ATOM 1414 O THR A 97 2.953 -4.108 -10.379 1.00 0.00 O ATOM 1415 CB THR A 97 0.492 -5.030 -7.940 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.334 -4.922 -6.802 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.407 -6.222 -7.616 1.00 0.00 C ATOM 0 H THR A 97 2.095 -6.943 -7.821 1.00 0.00 H new ATOM 0 HA THR A 97 0.900 -5.367 -10.044 1.00 0.00 H new ATOM 0 HB THR A 97 -0.094 -4.145 -8.188 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.125 -5.642 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.077 -5.960 -6.797 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.994 -6.485 -8.496 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.208 -7.073 -7.323 1.00 0.00 H new ATOM 1425 N VAL A 98 3.136 -3.848 -8.205 1.00 0.00 N ATOM 1426 CA VAL A 98 4.256 -2.876 -8.311 1.00 0.00 C ATOM 1427 C VAL A 98 5.638 -3.558 -8.285 1.00 0.00 C ATOM 1428 O VAL A 98 6.265 -3.747 -9.309 1.00 0.00 O ATOM 1429 CB VAL A 98 4.048 -1.860 -7.141 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.141 -0.772 -7.113 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.691 -1.158 -7.320 1.00 0.00 C ATOM 0 H VAL A 98 2.841 -4.042 -7.248 1.00 0.00 H new ATOM 0 HA VAL A 98 4.244 -2.363 -9.273 1.00 0.00 H new ATOM 0 HB VAL A 98 4.093 -2.424 -6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.954 -0.090 -6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.117 -1.240 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.125 -0.216 -8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.539 -0.448 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.678 -0.628 -8.272 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.893 -1.900 -7.307 1.00 0.00 H new ATOM 1441 N PHE A 99 6.021 -3.908 -7.080 1.00 0.00 N ATOM 1442 CA PHE A 99 7.338 -4.576 -6.749 1.00 0.00 C ATOM 1443 C PHE A 99 8.146 -5.223 -7.900 1.00 0.00 C ATOM 1444 O PHE A 99 8.867 -4.521 -8.574 1.00 0.00 O ATOM 1445 CB PHE A 99 7.035 -5.623 -5.605 1.00 0.00 C ATOM 1446 CG PHE A 99 8.324 -5.851 -4.768 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.760 -4.828 -3.948 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.061 -7.022 -4.790 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.894 -4.963 -3.172 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.197 -7.165 -4.013 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.613 -6.135 -3.202 1.00 0.00 C ATOM 0 H PHE A 99 5.440 -3.749 -6.257 1.00 0.00 H new ATOM 0 HA PHE A 99 8.015 -3.775 -6.450 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.231 -5.259 -4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.696 -6.565 -6.037 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.202 -3.904 -3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.745 -7.837 -5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.217 -4.148 -2.541 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.758 -8.087 -4.043 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.498 -6.246 -2.593 1.00 0.00 H new ATOM 1461 N THR A 100 8.031 -6.503 -8.130 1.00 0.00 N ATOM 1462 CA THR A 100 8.798 -7.204 -9.237 1.00 0.00 C ATOM 1463 C THR A 100 9.017 -6.394 -10.542 1.00 0.00 C ATOM 1464 O THR A 100 9.947 -6.649 -11.277 1.00 0.00 O ATOM 1465 CB THR A 100 8.093 -8.566 -9.640 1.00 0.00 C ATOM 1466 OG1 THR A 100 7.756 -8.453 -11.009 1.00 0.00 O ATOM 1467 CG2 THR A 100 6.682 -8.731 -9.069 1.00 0.00 C ATOM 0 H THR A 100 7.425 -7.120 -7.590 1.00 0.00 H new ATOM 0 HA THR A 100 9.781 -7.356 -8.792 1.00 0.00 H new ATOM 0 HB THR A 100 8.772 -9.355 -9.316 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.316 -9.277 -11.307 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.269 -9.687 -9.390 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.724 -8.701 -7.980 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.047 -7.922 -9.429 1.00 0.00 H new ATOM 1475 N LYS A 101 8.179 -5.428 -10.810 1.00 0.00 N ATOM 1476 CA LYS A 101 8.357 -4.638 -12.064 1.00 0.00 C ATOM 1477 C LYS A 101 9.510 -3.647 -11.994 1.00 0.00 C ATOM 1478 O LYS A 101 10.125 -3.354 -12.999 1.00 0.00 O ATOM 1479 CB LYS A 101 7.072 -3.871 -12.371 1.00 0.00 C ATOM 1480 CG LYS A 101 5.980 -4.894 -12.650 1.00 0.00 C ATOM 1481 CD LYS A 101 4.728 -4.132 -13.106 1.00 0.00 C ATOM 1482 CE LYS A 101 3.649 -5.142 -13.467 1.00 0.00 C ATOM 1483 NZ LYS A 101 2.432 -4.353 -13.867 1.00 0.00 N ATOM 0 H LYS A 101 7.390 -5.154 -10.225 1.00 0.00 H new ATOM 0 HA LYS A 101 8.590 -5.355 -12.851 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.795 -3.236 -11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.213 -3.217 -13.232 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.302 -5.596 -13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.767 -5.478 -11.755 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.378 -3.471 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.960 -3.503 -13.965 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.979 -5.785 -14.283 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.428 -5.791 -12.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.664 -5.006 -14.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.128 -3.757 -13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.662 -3.751 -14.683 1.00 0.00 H new ATOM 1497 N ILE A 102 9.780 -3.142 -10.822 1.00 0.00 N ATOM 1498 CA ILE A 102 10.905 -2.145 -10.633 1.00 0.00 C ATOM 1499 C ILE A 102 12.253 -2.851 -10.306 1.00 0.00 C ATOM 1500 O ILE A 102 13.334 -2.276 -10.393 1.00 0.00 O ATOM 1501 CB ILE A 102 10.488 -1.151 -9.498 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.105 -1.904 -8.204 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.257 -0.324 -10.001 1.00 0.00 C ATOM 1504 CD1 ILE A 102 10.146 -0.942 -6.988 1.00 0.00 C ATOM 0 H ILE A 102 9.270 -3.372 -9.969 1.00 0.00 H new ATOM 0 HA ILE A 102 11.069 -1.599 -11.562 1.00 0.00 H new ATOM 0 HB ILE A 102 11.331 -0.499 -9.269 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.107 -2.330 -8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.792 -2.735 -8.042 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.948 0.377 -9.225 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.532 0.228 -10.900 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.433 -1.000 -10.228 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.874 -1.487 -6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.152 -0.537 -6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.441 -0.126 -7.146 1.00 0.00 H new ATOM 1516 N ASP A 103 12.044 -4.091 -9.943 1.00 0.00 N ATOM 1517 CA ASP A 103 13.083 -5.072 -9.559 1.00 0.00 C ATOM 1518 C ASP A 103 13.734 -5.655 -10.816 1.00 0.00 C ATOM 1519 O ASP A 103 13.351 -6.676 -11.347 1.00 0.00 O ATOM 1520 CB ASP A 103 12.418 -6.207 -8.727 1.00 0.00 C ATOM 1521 CG ASP A 103 12.086 -5.798 -7.300 1.00 0.00 C ATOM 1522 OD1 ASP A 103 13.051 -5.415 -6.674 1.00 0.00 O ATOM 1523 OD2 ASP A 103 10.934 -5.890 -6.919 1.00 0.00 O ATOM 0 H ASP A 103 11.104 -4.485 -9.898 1.00 0.00 H new ATOM 0 HA ASP A 103 13.853 -4.583 -8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.504 -6.526 -9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.085 -7.069 -8.704 1.00 0.00 H new ATOM 1528 N THR A 104 14.735 -4.958 -11.273 1.00 0.00 N ATOM 1529 CA THR A 104 15.470 -5.424 -12.497 1.00 0.00 C ATOM 1530 C THR A 104 16.246 -6.731 -12.229 1.00 0.00 C ATOM 1531 O THR A 104 16.651 -7.411 -13.149 1.00 0.00 O ATOM 1532 CB THR A 104 16.423 -4.289 -12.957 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.932 -3.691 -11.776 1.00 0.00 O ATOM 1534 CG2 THR A 104 15.623 -3.136 -13.580 1.00 0.00 C ATOM 0 H THR A 104 15.080 -4.091 -10.861 1.00 0.00 H new ATOM 0 HA THR A 104 14.753 -5.647 -13.288 1.00 0.00 H new ATOM 0 HB THR A 104 17.159 -4.707 -13.643 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.660 -3.077 -12.008 1.00 0.00 H new ATOM 0 HG21 THR A 104 16.307 -2.349 -13.897 1.00 0.00 H new ATOM 0 HG22 THR A 104 15.067 -3.503 -14.443 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.926 -2.737 -12.843 1.00 0.00 H new ATOM 1542 N ASN A 105 16.448 -7.044 -10.973 1.00 0.00 N ATOM 1543 CA ASN A 105 17.174 -8.301 -10.537 1.00 0.00 C ATOM 1544 C ASN A 105 16.483 -9.053 -9.336 1.00 0.00 C ATOM 1545 O ASN A 105 16.337 -10.258 -9.383 1.00 0.00 O ATOM 1546 CB ASN A 105 18.649 -7.913 -10.183 1.00 0.00 C ATOM 1547 CG ASN A 105 18.682 -6.644 -9.367 1.00 0.00 C ATOM 1548 OD1 ASN A 105 17.763 -6.340 -8.640 1.00 0.00 O ATOM 1549 ND2 ASN A 105 19.698 -5.847 -9.419 1.00 0.00 N ATOM 0 H ASN A 105 16.131 -6.464 -10.196 1.00 0.00 H new ATOM 0 HA ASN A 105 17.145 -9.010 -11.364 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.120 -8.723 -9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.225 -7.778 -11.098 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.707 -4.995 -8.859 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.491 -6.070 -10.020 1.00 0.00 H new ATOM 1556 N GLY A 106 16.090 -8.348 -8.301 1.00 0.00 N ATOM 1557 CA GLY A 106 15.410 -8.997 -7.103 1.00 0.00 C ATOM 1558 C GLY A 106 16.132 -8.878 -5.754 1.00 0.00 C ATOM 1559 O GLY A 106 15.807 -9.555 -4.797 1.00 0.00 O ATOM 0 H GLY A 106 16.207 -7.338 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.417 -8.560 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.271 -10.056 -7.323 1.00 0.00 H new ATOM 1563 N ILE A 107 17.102 -8.012 -5.691 1.00 0.00 N ATOM 1564 CA ILE A 107 17.868 -7.820 -4.420 1.00 0.00 C ATOM 1565 C ILE A 107 16.938 -7.630 -3.179 1.00 0.00 C ATOM 1566 O ILE A 107 17.082 -8.310 -2.177 1.00 0.00 O ATOM 1567 CB ILE A 107 18.814 -6.601 -4.656 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.612 -6.754 -5.997 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.835 -6.495 -3.512 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.312 -8.133 -6.147 1.00 0.00 C ATOM 0 H ILE A 107 17.403 -7.423 -6.468 1.00 0.00 H new ATOM 0 HA ILE A 107 18.446 -8.713 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 107 18.189 -5.709 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.930 -6.608 -6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 107 20.363 -5.966 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 107 20.490 -5.641 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 107 19.309 -6.362 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 107 20.431 -7.407 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 107 20.845 -8.169 -7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 107 21.019 -8.273 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 107 19.564 -8.926 -6.120 1.00 0.00 H new ATOM 1582 N GLY A 108 16.006 -6.709 -3.290 1.00 0.00 N ATOM 1583 CA GLY A 108 15.038 -6.430 -2.167 1.00 0.00 C ATOM 1584 C GLY A 108 14.407 -7.740 -1.677 1.00 0.00 C ATOM 1585 O GLY A 108 14.432 -8.053 -0.498 1.00 0.00 O ATOM 0 H GLY A 108 15.871 -6.130 -4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.556 -5.937 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.260 -5.748 -2.509 1.00 0.00 H new ATOM 1589 N TYR A 109 13.861 -8.465 -2.627 1.00 0.00 N ATOM 1590 CA TYR A 109 13.194 -9.783 -2.338 1.00 0.00 C ATOM 1591 C TYR A 109 13.927 -10.514 -1.204 1.00 0.00 C ATOM 1592 O TYR A 109 13.307 -10.821 -0.206 1.00 0.00 O ATOM 1593 CB TYR A 109 13.190 -10.639 -3.641 1.00 0.00 C ATOM 1594 CG TYR A 109 12.760 -12.073 -3.309 1.00 0.00 C ATOM 1595 CD1 TYR A 109 11.487 -12.342 -2.853 1.00 0.00 C ATOM 1596 CD2 TYR A 109 13.654 -13.115 -3.451 1.00 0.00 C ATOM 1597 CE1 TYR A 109 11.117 -13.638 -2.542 1.00 0.00 C ATOM 1598 CE2 TYR A 109 13.280 -14.403 -3.140 1.00 0.00 C ATOM 1599 CZ TYR A 109 12.017 -14.672 -2.686 1.00 0.00 C ATOM 1600 OH TYR A 109 11.682 -15.970 -2.385 1.00 0.00 O ATOM 0 H TYR A 109 13.848 -8.195 -3.611 1.00 0.00 H new ATOM 0 HA TYR A 109 12.167 -9.616 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 109 12.509 -10.204 -4.373 1.00 0.00 H new ATOM 0 HB3 TYR A 109 14.183 -10.641 -4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.776 -11.537 -2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 109 14.654 -12.919 -3.809 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.118 -13.841 -2.185 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.990 -15.209 -3.255 1.00 0.00 H new ATOM 0 HH TYR A 109 12.451 -16.554 -2.553 1.00 0.00 H new ATOM 1610 N GLN A 110 15.204 -10.733 -1.428 1.00 0.00 N ATOM 1611 CA GLN A 110 16.115 -11.428 -0.441 1.00 0.00 C ATOM 1612 C GLN A 110 15.675 -11.239 1.045 1.00 0.00 C ATOM 1613 O GLN A 110 15.769 -12.146 1.844 1.00 0.00 O ATOM 1614 CB GLN A 110 17.561 -10.885 -0.635 1.00 0.00 C ATOM 1615 CG GLN A 110 18.555 -11.806 0.170 1.00 0.00 C ATOM 1616 CD GLN A 110 19.896 -11.132 0.446 1.00 0.00 C ATOM 1617 OE1 GLN A 110 20.945 -11.560 0.026 1.00 0.00 O ATOM 1618 NE2 GLN A 110 19.928 -10.061 1.166 1.00 0.00 N ATOM 0 H GLN A 110 15.675 -10.449 -2.287 1.00 0.00 H new ATOM 0 HA GLN A 110 16.064 -12.498 -0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.824 -10.878 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.629 -9.856 -0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.095 -12.089 1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 110 18.725 -12.726 -0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 110 19.062 -9.670 1.538 1.00 0.00 H new ATOM 0 HE22 GLN A 110 20.819 -9.605 1.363 1.00 0.00 H new ATOM 1627 N GLN A 111 15.219 -10.054 1.366 1.00 0.00 N ATOM 1628 CA GLN A 111 14.758 -9.750 2.767 1.00 0.00 C ATOM 1629 C GLN A 111 13.245 -9.451 2.770 1.00 0.00 C ATOM 1630 O GLN A 111 12.540 -9.817 3.688 1.00 0.00 O ATOM 1631 CB GLN A 111 15.541 -8.524 3.324 1.00 0.00 C ATOM 1632 CG GLN A 111 17.024 -8.932 3.598 1.00 0.00 C ATOM 1633 CD GLN A 111 17.839 -7.778 4.196 1.00 0.00 C ATOM 1634 OE1 GLN A 111 17.727 -7.396 5.341 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.692 -7.172 3.439 1.00 0.00 N ATOM 0 H GLN A 111 15.144 -9.273 0.714 1.00 0.00 H new ATOM 0 HA GLN A 111 14.949 -10.616 3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.505 -7.701 2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.075 -8.169 4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 111 17.046 -9.782 4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.488 -9.258 2.667 1.00 0.00 H new ATOM 0 HE21 GLN A 111 18.813 -7.466 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 111 19.245 -6.399 3.810 1.00 0.00 H new ATOM 1644 N GLY A 112 12.789 -8.786 1.739 1.00 0.00 N ATOM 1645 CA GLY A 112 11.330 -8.427 1.615 1.00 0.00 C ATOM 1646 C GLY A 112 11.058 -6.911 1.562 1.00 0.00 C ATOM 1647 O GLY A 112 9.932 -6.502 1.337 1.00 0.00 O ATOM 0 H GLY A 112 13.370 -8.469 0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.928 -8.889 0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.789 -8.853 2.460 1.00 0.00 H new ATOM 1651 N HIS A 113 12.068 -6.105 1.767 1.00 0.00 N ATOM 1652 CA HIS A 113 11.859 -4.625 1.725 1.00 0.00 C ATOM 1653 C HIS A 113 12.871 -4.039 0.730 1.00 0.00 C ATOM 1654 O HIS A 113 13.972 -4.531 0.568 1.00 0.00 O ATOM 1655 CB HIS A 113 12.098 -3.998 3.154 1.00 0.00 C ATOM 1656 CG HIS A 113 13.221 -2.953 3.201 1.00 0.00 C ATOM 1657 ND1 HIS A 113 13.184 -1.811 2.591 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.438 -2.957 3.852 1.00 0.00 C ATOM 1659 CE1 HIS A 113 14.278 -1.153 2.838 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.081 -1.831 3.616 1.00 0.00 N ATOM 0 H HIS A 113 13.024 -6.405 1.961 1.00 0.00 H new ATOM 0 HA HIS A 113 10.838 -4.398 1.418 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.172 -3.536 3.495 1.00 0.00 H new ATOM 0 HB3 HIS A 113 12.332 -4.799 3.856 1.00 0.00 H new ATOM 0 HD1 HIS A 113 12.416 -1.479 2.007 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.809 -3.765 4.465 1.00 0.00 H new ATOM 0 HE1 HIS A 113 14.496 -0.169 2.449 1.00 0.00 H new ATOM 1668 N LEU A 114 12.442 -3.003 0.088 1.00 0.00 N ATOM 1669 CA LEU A 114 13.269 -2.272 -0.909 1.00 0.00 C ATOM 1670 C LEU A 114 13.132 -0.771 -0.563 1.00 0.00 C ATOM 1671 O LEU A 114 12.187 -0.409 0.121 1.00 0.00 O ATOM 1672 CB LEU A 114 12.708 -2.620 -2.322 1.00 0.00 C ATOM 1673 CG LEU A 114 13.401 -1.793 -3.433 1.00 0.00 C ATOM 1674 CD1 LEU A 114 14.928 -2.009 -3.439 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.893 -2.277 -4.798 1.00 0.00 C ATOM 0 H LEU A 114 11.509 -2.611 0.216 1.00 0.00 H new ATOM 0 HA LEU A 114 14.325 -2.541 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.849 -3.683 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.635 -2.432 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 114 13.176 -0.743 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.377 -1.412 -4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.342 -1.705 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.146 -3.063 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.374 -1.702 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.131 -3.334 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.813 -2.139 -4.854 1.00 0.00 H new ATOM 1687 N ASN A 115 14.057 0.036 -1.028 1.00 0.00 N ATOM 1688 CA ASN A 115 14.019 1.503 -0.764 1.00 0.00 C ATOM 1689 C ASN A 115 13.765 2.199 -2.118 1.00 0.00 C ATOM 1690 O ASN A 115 14.492 2.050 -3.090 1.00 0.00 O ATOM 1691 CB ASN A 115 15.355 1.964 -0.181 1.00 0.00 C ATOM 1692 CG ASN A 115 15.213 3.438 0.204 1.00 0.00 C ATOM 1693 OD1 ASN A 115 14.301 3.831 0.893 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.064 4.315 -0.201 1.00 0.00 N ATOM 0 H ASN A 115 14.851 -0.271 -1.590 1.00 0.00 H new ATOM 0 HA ASN A 115 13.236 1.750 -0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 115 15.618 1.365 0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.155 1.835 -0.910 1.00 0.00 H new ATOM 0 HD21 ASN A 115 15.952 5.294 0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.851 4.031 -0.785 1.00 0.00 H new ATOM 1701 N VAL A 116 12.692 2.938 -2.084 1.00 0.00 N ATOM 1702 CA VAL A 116 12.259 3.696 -3.289 1.00 0.00 C ATOM 1703 C VAL A 116 11.833 5.145 -2.968 1.00 0.00 C ATOM 1704 O VAL A 116 11.734 5.557 -1.825 1.00 0.00 O ATOM 1705 CB VAL A 116 11.082 2.899 -3.965 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.434 1.385 -4.117 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.808 2.996 -3.105 1.00 0.00 C ATOM 0 H VAL A 116 12.092 3.050 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 116 13.106 3.785 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 116 10.921 3.341 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.601 0.863 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.324 1.279 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.623 0.955 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.002 2.440 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.002 2.575 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.517 4.041 -3.003 1.00 0.00 H new ATOM 1717 N ASN A 117 11.583 5.842 -4.048 1.00 0.00 N ATOM 1718 CA ASN A 117 11.154 7.283 -4.032 1.00 0.00 C ATOM 1719 C ASN A 117 9.818 7.491 -4.801 1.00 0.00 C ATOM 1720 O ASN A 117 9.701 6.985 -5.907 1.00 0.00 O ATOM 1721 CB ASN A 117 12.337 8.027 -4.652 1.00 0.00 C ATOM 1722 CG ASN A 117 13.473 7.916 -3.667 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.681 8.804 -2.885 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.230 6.873 -3.635 1.00 0.00 N ATOM 0 H ASN A 117 11.662 5.453 -4.988 1.00 0.00 H new ATOM 0 HA ASN A 117 10.934 7.655 -3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.611 7.589 -5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.085 9.071 -4.838 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.988 6.813 -2.955 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.071 6.107 -4.290 1.00 0.00 H new ATOM 1731 N TYR A 118 8.858 8.211 -4.239 1.00 0.00 N ATOM 1732 CA TYR A 118 7.554 8.408 -4.984 1.00 0.00 C ATOM 1733 C TYR A 118 6.897 9.826 -4.954 1.00 0.00 C ATOM 1734 O TYR A 118 7.002 10.590 -4.010 1.00 0.00 O ATOM 1735 CB TYR A 118 6.541 7.356 -4.438 1.00 0.00 C ATOM 1736 CG TYR A 118 6.001 7.683 -3.021 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.083 8.707 -2.792 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.436 6.940 -1.939 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.625 8.968 -1.507 1.00 0.00 C ATOM 1740 CE2 TYR A 118 5.970 7.206 -0.666 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.066 8.217 -0.443 1.00 0.00 C ATOM 1742 OH TYR A 118 4.612 8.473 0.836 1.00 0.00 O ATOM 0 H TYR A 118 8.916 8.659 -3.324 1.00 0.00 H new ATOM 0 HA TYR A 118 7.809 8.283 -6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.701 7.282 -5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.023 6.379 -4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.725 9.302 -3.620 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.148 6.143 -2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 118 3.917 9.767 -1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.321 6.612 0.165 1.00 0.00 H new ATOM 0 HH TYR A 118 4.256 9.385 0.880 1.00 0.00 H new ATOM 1752 N GLN A 119 6.209 10.133 -6.018 1.00 0.00 N ATOM 1753 CA GLN A 119 5.510 11.463 -6.150 1.00 0.00 C ATOM 1754 C GLN A 119 4.003 11.302 -6.508 1.00 0.00 C ATOM 1755 O GLN A 119 3.659 10.391 -7.239 1.00 0.00 O ATOM 1756 CB GLN A 119 6.198 12.304 -7.268 1.00 0.00 C ATOM 1757 CG GLN A 119 7.606 12.820 -6.843 1.00 0.00 C ATOM 1758 CD GLN A 119 8.609 11.688 -6.673 1.00 0.00 C ATOM 1759 OE1 GLN A 119 8.998 11.014 -7.606 1.00 0.00 O ATOM 1760 NE2 GLN A 119 9.038 11.463 -5.474 1.00 0.00 N ATOM 0 H GLN A 119 6.094 9.514 -6.821 1.00 0.00 H new ATOM 0 HA GLN A 119 5.581 11.964 -5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.293 11.697 -8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.564 13.154 -7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.975 13.520 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.521 13.371 -5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.705 12.035 -4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.709 10.714 -5.305 1.00 0.00 H new ATOM 1769 N PHE A 120 3.125 12.138 -6.017 1.00 0.00 N ATOM 1770 CA PHE A 120 1.666 11.955 -6.405 1.00 0.00 C ATOM 1771 C PHE A 120 1.454 12.241 -7.921 1.00 0.00 C ATOM 1772 O PHE A 120 1.972 13.210 -8.444 1.00 0.00 O ATOM 1773 CB PHE A 120 0.799 12.925 -5.564 1.00 0.00 C ATOM 1774 CG PHE A 120 0.474 12.342 -4.183 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.425 11.672 -3.440 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.798 12.479 -3.661 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.110 11.152 -2.208 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.117 11.961 -2.430 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.165 11.297 -1.703 1.00 0.00 C ATOM 0 H PHE A 120 3.328 12.915 -5.388 1.00 0.00 H new ATOM 0 HA PHE A 120 1.374 10.923 -6.210 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.324 13.873 -5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.128 13.139 -6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.425 11.556 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.553 13.001 -4.230 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.861 10.629 -1.635 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.116 12.077 -2.036 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.413 10.887 -0.735 1.00 0.00 H new ATOM 1789 N VAL A 121 0.711 11.393 -8.605 1.00 0.00 N ATOM 1790 CA VAL A 121 0.473 11.614 -10.065 1.00 0.00 C ATOM 1791 C VAL A 121 -0.926 11.199 -10.591 1.00 0.00 C ATOM 1792 O VAL A 121 -1.702 10.463 -10.013 1.00 0.00 O ATOM 1793 CB VAL A 121 1.646 10.858 -10.813 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.148 9.751 -11.765 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.399 11.859 -11.702 1.00 0.00 C ATOM 0 H VAL A 121 0.264 10.564 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 121 0.475 12.686 -10.263 1.00 0.00 H new ATOM 0 HB VAL A 121 2.264 10.414 -10.033 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.002 9.273 -12.245 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.588 9.008 -11.197 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.502 10.189 -12.526 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.209 11.347 -12.221 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.712 12.285 -12.433 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.811 12.656 -11.084 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.177 11.737 -11.748 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.448 11.501 -12.479 1.00 0.00 C ATOM 1807 C ASP A 122 -2.289 10.247 -13.392 1.00 0.00 C ATOM 1808 O ASP A 122 -1.208 9.983 -13.889 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.723 12.776 -13.313 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.181 12.841 -13.741 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.710 11.793 -14.087 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.673 13.956 -13.688 1.00 0.00 O ATOM 0 H ASP A 122 -0.527 12.354 -12.235 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.282 11.310 -11.803 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.472 13.660 -12.727 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.081 12.785 -14.194 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.340 9.511 -13.625 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.160 8.306 -14.506 1.00 0.00 C ATOM 1819 C CYS A 123 -3.316 8.724 -15.970 1.00 0.00 C ATOM 1820 O CYS A 123 -3.024 7.937 -16.852 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.199 7.228 -14.150 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.249 6.719 -12.413 1.00 0.00 S ATOM 0 H CYS A 123 -4.280 9.674 -13.265 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.164 7.891 -14.351 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.186 7.597 -14.429 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.003 6.347 -14.761 1.00 0.00 H new ATOM 1827 N ARG A 124 -3.768 9.948 -16.158 1.00 0.00 N ATOM 1828 CA ARG A 124 -3.974 10.521 -17.524 1.00 0.00 C ATOM 1829 C ARG A 124 -4.684 9.457 -18.415 1.00 0.00 C ATOM 1830 O ARG A 124 -4.257 9.173 -19.517 1.00 0.00 O ATOM 1831 CB ARG A 124 -2.539 10.905 -17.990 1.00 0.00 C ATOM 1832 CG ARG A 124 -2.517 11.975 -19.112 1.00 0.00 C ATOM 1833 CD ARG A 124 -1.200 11.852 -19.917 1.00 0.00 C ATOM 1834 NE ARG A 124 -0.045 11.860 -18.950 1.00 0.00 N ATOM 1835 CZ ARG A 124 0.992 12.591 -19.098 1.00 0.00 C ATOM 1836 NH1 ARG A 124 1.792 12.362 -20.064 1.00 0.00 N ATOM 1837 NH2 ARG A 124 1.134 13.504 -18.232 1.00 0.00 N ATOM 0 H ARG A 124 -4.007 10.585 -15.398 1.00 0.00 H new ATOM 0 HA ARG A 124 -4.620 11.397 -17.569 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -1.975 11.276 -17.134 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.029 10.009 -18.344 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.373 11.842 -19.773 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -2.600 12.972 -18.680 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -1.198 10.932 -20.501 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -1.109 12.678 -20.622 1.00 0.00 H new ATOM 0 HE ARG A 124 -0.094 11.250 -18.134 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.602 11.599 -20.713 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.622 12.942 -20.187 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.446 13.612 -17.487 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.937 14.131 -18.279 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.751 8.929 -17.873 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.551 7.891 -18.576 1.00 0.00 C ATOM 1853 C ASP A 125 -7.695 8.458 -19.468 1.00 0.00 C ATOM 1854 O ASP A 125 -7.328 8.866 -20.556 1.00 0.00 O ATOM 1855 CB ASP A 125 -7.070 6.945 -17.442 1.00 0.00 C ATOM 1856 CG ASP A 125 -7.496 5.644 -18.043 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -6.706 5.092 -18.796 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -8.590 5.195 -17.738 1.00 0.00 O ATOM 1859 OXT ASP A 125 -8.849 8.467 -19.053 1.00 0.00 O ATOM 0 H ASP A 125 -6.106 9.182 -16.951 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.937 7.359 -19.302 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.286 6.779 -16.704 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.906 7.409 -16.919 1.00 0.00 H new