USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 778 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 77 THR OG1 : rot 102:sc= 0.753 USER MOD Set 1.2: A 86 SER OG : rot 170:sc= 0.452 USER MOD Set 2.1: A 46 THR OG1 : rot -52:sc= 0.549! USER MOD Set 2.2: A 49 ASN : amide:sc= -0.438 K(o=0.11,f=-4.5!) USER MOD Set 3.1: A 1 THR N :NH3+ 172:sc= -0.101 (180deg=-0.185) USER MOD Set 3.2: A 4 ASN : amide:sc= -0.63 K(o=-2.3,f=-8.9!) USER MOD Set 3.3: A 29 GLN : amide:sc= -1.53 K(o=-2.3,f=-3.5!) USER MOD Single : A 1 THR OG1 : rot 162:sc= 0.49 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.11! C(o=-2.1!,f=-4.2!) USER MOD Single : A 25 CYS SG : rot -150:sc= -2.15 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-9.1!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.29! K(o=-3.3!,f=-0.71) USER MOD Single : A 61 HIS : no HD1:sc= -0.423 X(o=-0.42,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= -0.317 (180deg=-1.14!) USER MOD Single : A 67 ASN : amide:sc= 0.389 K(o=0.39,f=-6.4!) USER MOD Single : A 71 GLN : amide:sc= -4.5! C(o=-4.5!,f=-7.5!) USER MOD Single : A 73 SER OG : rot 90:sc= 0.368 USER MOD Single : A 74 CYS SG : rot -20:sc= -3.62! USER MOD Single : A 83 MET CE :methyl -156:sc= -2.96! (180deg=-4.67!) USER MOD Single : A 85 THR OG1 : rot -160:sc= -1.01 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 98 HIS : no HE2:sc= -0.304 X(o=-0.3,f=-0.74) USER MOD Single : A 99 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-4.8!) USER MOD Single : A 100 HIS : no HE2:sc= -2.64! C(o=-2.6!,f=-2.5!) USER MOD Single : A 101 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-0.75) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 56.911 2.046 -3.817 1.00 0.00 N ATOM 2 CA THR A 1 55.571 1.529 -4.216 1.00 0.00 C ATOM 3 C THR A 1 54.489 2.441 -3.641 1.00 0.00 C ATOM 4 O THR A 1 53.295 2.183 -3.793 1.00 0.00 O ATOM 5 CB THR A 1 55.403 0.098 -3.683 1.00 0.00 C ATOM 6 OG1 THR A 1 56.639 -0.593 -3.801 1.00 0.00 O ATOM 7 CG2 THR A 1 54.332 -0.641 -4.491 1.00 0.00 C ATOM 0 H1 THR A 1 57.643 1.359 -4.089 1.00 0.00 H new ATOM 0 H2 THR A 1 57.091 2.951 -4.296 1.00 0.00 H new ATOM 0 H3 THR A 1 56.935 2.189 -2.787 1.00 0.00 H new ATOM 0 HA THR A 1 55.482 1.515 -5.302 1.00 0.00 H new ATOM 0 HB THR A 1 55.097 0.139 -2.638 1.00 0.00 H new ATOM 0 HG1 THR A 1 56.632 -1.378 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 1 54.220 -1.654 -4.106 1.00 0.00 H new ATOM 0 HG22 THR A 1 53.382 -0.113 -4.405 1.00 0.00 H new ATOM 0 HG23 THR A 1 54.630 -0.682 -5.539 1.00 0.00 H new ATOM 17 N ALA A 2 54.921 3.510 -2.982 1.00 0.00 N ATOM 18 CA ALA A 2 53.993 4.464 -2.388 1.00 0.00 C ATOM 19 C ALA A 2 54.682 5.808 -2.202 1.00 0.00 C ATOM 20 O ALA A 2 54.083 6.862 -2.422 1.00 0.00 O ATOM 21 CB ALA A 2 53.501 3.946 -1.035 1.00 0.00 C ATOM 0 H ALA A 2 55.906 3.737 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 2 53.139 4.586 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.808 4.666 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.993 2.992 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 2 54.351 3.810 -0.366 1.00 0.00 H new ATOM 27 N LYS A 3 55.949 5.763 -1.805 1.00 0.00 N ATOM 28 CA LYS A 3 56.720 6.979 -1.601 1.00 0.00 C ATOM 29 C LYS A 3 58.200 6.646 -1.459 1.00 0.00 C ATOM 30 O LYS A 3 58.585 5.872 -0.582 1.00 0.00 O ATOM 31 CB LYS A 3 56.260 7.689 -0.332 1.00 0.00 C ATOM 32 CG LYS A 3 56.920 9.067 -0.256 1.00 0.00 C ATOM 33 CD LYS A 3 56.426 9.799 0.990 1.00 0.00 C ATOM 34 CE LYS A 3 57.060 11.190 1.050 1.00 0.00 C ATOM 35 NZ LYS A 3 56.578 11.908 2.264 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.460 4.900 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 3 56.567 7.627 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.175 7.792 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.524 7.098 0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 3 58.004 8.962 -0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 3 56.683 9.646 -1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 3 55.340 9.884 0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 3 56.684 9.231 1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 3 58.146 11.105 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 3 56.804 11.756 0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 57.010 12.853 2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 55.543 12.002 2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 56.844 11.371 3.114 1.00 0.00 H new ATOM 49 N ASN A 4 59.034 7.251 -2.301 1.00 0.00 N ATOM 50 CA ASN A 4 60.476 7.033 -2.232 1.00 0.00 C ATOM 51 C ASN A 4 61.170 8.380 -2.406 1.00 0.00 C ATOM 52 O ASN A 4 61.129 8.961 -3.491 1.00 0.00 O ATOM 53 CB ASN A 4 60.930 6.047 -3.325 1.00 0.00 C ATOM 54 CG ASN A 4 59.789 5.108 -3.697 1.00 0.00 C ATOM 55 OD1 ASN A 4 59.476 4.183 -2.950 1.00 0.00 O ATOM 56 ND2 ASN A 4 59.145 5.295 -4.816 1.00 0.00 N ATOM 0 H ASN A 4 58.738 7.893 -3.036 1.00 0.00 H new ATOM 0 HA ASN A 4 60.739 6.599 -1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 4 61.259 6.597 -4.206 1.00 0.00 H new ATOM 0 HB3 ASN A 4 61.784 5.470 -2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 4 58.379 4.673 -5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 4 59.407 6.063 -5.433 1.00 0.00 H new ATOM 63 N THR A 5 61.803 8.886 -1.348 1.00 0.00 N ATOM 64 CA THR A 5 62.491 10.175 -1.422 1.00 0.00 C ATOM 65 C THR A 5 63.835 10.083 -0.711 1.00 0.00 C ATOM 66 O THR A 5 63.896 9.917 0.507 1.00 0.00 O ATOM 67 CB THR A 5 61.627 11.260 -0.770 1.00 0.00 C ATOM 68 OG1 THR A 5 60.382 11.338 -1.449 1.00 0.00 O ATOM 69 CG2 THR A 5 62.343 12.610 -0.850 1.00 0.00 C ATOM 0 H THR A 5 61.854 8.429 -0.438 1.00 0.00 H new ATOM 0 HA THR A 5 62.659 10.434 -2.467 1.00 0.00 H new ATOM 0 HB THR A 5 61.457 11.009 0.277 1.00 0.00 H new ATOM 0 HG1 THR A 5 59.826 12.030 -1.034 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.725 13.378 -0.385 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.297 12.547 -0.327 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.518 12.868 -1.895 1.00 0.00 H new ATOM 77 N VAL A 6 64.909 10.170 -1.484 1.00 0.00 N ATOM 78 CA VAL A 6 66.248 10.068 -0.918 1.00 0.00 C ATOM 79 C VAL A 6 66.498 11.173 0.101 1.00 0.00 C ATOM 80 O VAL A 6 66.400 12.361 -0.205 1.00 0.00 O ATOM 81 CB VAL A 6 67.301 10.133 -2.031 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.392 11.560 -2.589 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.662 9.721 -1.464 1.00 0.00 C ATOM 0 H VAL A 6 64.881 10.309 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 6 66.326 9.108 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 6 67.014 9.455 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.143 11.595 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.424 11.854 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.674 12.246 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.413 9.766 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 6 68.941 10.400 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.602 8.704 -1.077 1.00 0.00 H new ATOM 93 N VAL A 7 66.826 10.759 1.320 1.00 0.00 N ATOM 94 CA VAL A 7 67.104 11.689 2.404 1.00 0.00 C ATOM 95 C VAL A 7 68.586 12.044 2.409 1.00 0.00 C ATOM 96 O VAL A 7 68.965 13.197 2.617 1.00 0.00 O ATOM 97 CB VAL A 7 66.711 11.044 3.736 1.00 0.00 C ATOM 98 CG1 VAL A 7 66.593 12.116 4.820 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.364 10.331 3.568 1.00 0.00 C ATOM 0 H VAL A 7 66.906 9.776 1.582 1.00 0.00 H new ATOM 0 HA VAL A 7 66.525 12.602 2.263 1.00 0.00 H new ATOM 0 HB VAL A 7 67.475 10.325 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.313 11.649 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 7 67.551 12.623 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 7 65.831 12.841 4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.077 9.869 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.604 11.054 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.452 9.563 2.800 1.00 0.00 H new ATOM 109 N ARG A 8 69.416 11.031 2.167 1.00 0.00 N ATOM 110 CA ARG A 8 70.864 11.211 2.128 1.00 0.00 C ATOM 111 C ARG A 8 71.515 10.191 1.207 1.00 0.00 C ATOM 112 O ARG A 8 71.261 8.991 1.305 1.00 0.00 O ATOM 113 CB ARG A 8 71.473 11.086 3.539 1.00 0.00 C ATOM 114 CG ARG A 8 72.993 10.834 3.440 1.00 0.00 C ATOM 115 CD ARG A 8 73.652 11.070 4.802 1.00 0.00 C ATOM 116 NE ARG A 8 75.103 10.986 4.682 1.00 0.00 N ATOM 117 CZ ARG A 8 75.878 10.956 5.760 1.00 0.00 C ATOM 118 NH1 ARG A 8 75.852 11.947 6.610 1.00 0.00 N1+ ATOM 119 NH2 ARG A 8 76.666 9.936 5.967 1.00 0.00 N ATOM 0 H ARG A 8 69.108 10.074 1.995 1.00 0.00 H new ATOM 0 HA ARG A 8 71.057 12.212 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.284 11.997 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 8 70.995 10.268 4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.180 9.813 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.432 11.497 2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.368 12.050 5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 8 73.296 10.331 5.519 1.00 0.00 H new ATOM 0 HE ARG A 8 75.529 10.950 3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 8 75.237 12.744 6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 8 76.447 11.924 7.438 1.00 0.00 H new ATOM 0 HH21 ARG A 8 76.686 9.164 5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 8 77.262 9.912 6.795 1.00 0.00 H new ATOM 133 N GLY A 9 72.386 10.685 0.341 1.00 0.00 N ATOM 134 CA GLY A 9 73.120 9.828 -0.572 1.00 0.00 C ATOM 135 C GLY A 9 74.498 9.524 0.004 1.00 0.00 C ATOM 136 O GLY A 9 74.823 9.947 1.114 1.00 0.00 O ATOM 0 H GLY A 9 72.601 11.678 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.571 8.901 -0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.220 10.315 -1.542 1.00 0.00 H new ATOM 140 N LEU A 10 75.306 8.798 -0.753 1.00 0.00 N ATOM 141 CA LEU A 10 76.648 8.449 -0.310 1.00 0.00 C ATOM 142 C LEU A 10 77.549 9.676 -0.373 1.00 0.00 C ATOM 143 O LEU A 10 77.271 10.615 -1.116 1.00 0.00 O ATOM 144 CB LEU A 10 77.196 7.345 -1.217 1.00 0.00 C ATOM 145 CG LEU A 10 76.302 6.096 -1.101 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.485 5.210 -2.332 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.675 5.289 0.144 1.00 0.00 C ATOM 0 H LEU A 10 75.057 8.439 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 10 76.618 8.094 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.226 7.690 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.220 7.101 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 10 75.265 6.422 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.850 4.329 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.208 5.768 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.527 4.900 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.035 4.409 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.717 4.975 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.540 5.907 1.032 1.00 0.00 H new ATOM 159 N GLU A 11 78.636 9.671 0.402 1.00 0.00 N ATOM 160 CA GLU A 11 79.569 10.799 0.411 1.00 0.00 C ATOM 161 C GLU A 11 81.006 10.291 0.400 1.00 0.00 C ATOM 162 O GLU A 11 81.247 9.086 0.427 1.00 0.00 O ATOM 163 CB GLU A 11 79.340 11.672 1.647 1.00 0.00 C ATOM 164 CG GLU A 11 79.419 10.815 2.913 1.00 0.00 C ATOM 165 CD GLU A 11 79.332 11.708 4.146 1.00 0.00 C ATOM 166 OE1 GLU A 11 79.816 12.827 4.078 1.00 0.00 O ATOM 167 OE2 GLU A 11 78.780 11.262 5.139 1.00 0.00 O1- ATOM 0 H GLU A 11 78.890 8.905 1.026 1.00 0.00 H new ATOM 0 HA GLU A 11 79.394 11.399 -0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.087 12.464 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.365 12.156 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.608 10.087 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.353 10.252 2.925 1.00 0.00 H new ATOM 174 N ASN A 12 81.955 11.215 0.350 1.00 0.00 N ATOM 175 CA ASN A 12 83.365 10.844 0.323 1.00 0.00 C ATOM 176 C ASN A 12 83.763 10.094 1.593 1.00 0.00 C ATOM 177 O ASN A 12 83.328 10.435 2.693 1.00 0.00 O ATOM 178 CB ASN A 12 84.233 12.096 0.165 1.00 0.00 C ATOM 179 CG ASN A 12 84.022 13.037 1.346 1.00 0.00 C ATOM 180 OD1 ASN A 12 83.224 12.748 2.238 1.00 0.00 O ATOM 181 ND2 ASN A 12 84.690 14.157 1.403 1.00 0.00 N ATOM 0 H ASN A 12 81.778 12.219 0.327 1.00 0.00 H new ATOM 0 HA ASN A 12 83.524 10.182 -0.528 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.284 11.813 0.100 1.00 0.00 H new ATOM 0 HB3 ASN A 12 83.982 12.606 -0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 12 84.551 14.794 2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 12 85.351 14.395 0.663 1.00 0.00 H new ATOM 188 N VAL A 13 84.626 9.089 1.428 1.00 0.00 N ATOM 189 CA VAL A 13 85.128 8.303 2.563 1.00 0.00 C ATOM 190 C VAL A 13 86.638 8.113 2.419 1.00 0.00 C ATOM 191 O VAL A 13 87.126 7.807 1.331 1.00 0.00 O ATOM 192 CB VAL A 13 84.427 6.939 2.635 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.128 6.047 3.668 1.00 0.00 C ATOM 194 CG2 VAL A 13 82.964 7.136 3.050 1.00 0.00 C ATOM 0 H VAL A 13 84.993 8.799 0.522 1.00 0.00 H new ATOM 0 HA VAL A 13 84.915 8.841 3.487 1.00 0.00 H new ATOM 0 HB VAL A 13 84.471 6.463 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.626 5.081 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.168 5.902 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.088 6.524 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.467 6.167 3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.925 7.616 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.459 7.765 2.317 1.00 0.00 H new ATOM 204 N GLU A 14 87.377 8.299 3.512 1.00 0.00 N ATOM 205 CA GLU A 14 88.837 8.147 3.481 1.00 0.00 C ATOM 206 C GLU A 14 89.332 7.384 4.707 1.00 0.00 C ATOM 207 O GLU A 14 88.906 7.649 5.831 1.00 0.00 O ATOM 208 CB GLU A 14 89.500 9.526 3.435 1.00 0.00 C ATOM 209 CG GLU A 14 91.018 9.364 3.305 1.00 0.00 C ATOM 210 CD GLU A 14 91.678 10.730 3.169 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.997 11.720 3.385 1.00 0.00 O ATOM 212 OE2 GLU A 14 92.856 10.768 2.852 1.00 0.00 O1- ATOM 0 H GLU A 14 86.996 8.553 4.424 1.00 0.00 H new ATOM 0 HA GLU A 14 89.103 7.580 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 14 89.112 10.099 2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 14 89.260 10.086 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 14 91.413 8.846 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 14 91.253 8.749 2.436 1.00 0.00 H new ATOM 219 N ALA A 15 90.239 6.436 4.478 1.00 0.00 N ATOM 220 CA ALA A 15 90.797 5.639 5.567 1.00 0.00 C ATOM 221 C ALA A 15 92.164 5.080 5.179 1.00 0.00 C ATOM 222 O ALA A 15 92.438 4.835 4.007 1.00 0.00 O ATOM 223 CB ALA A 15 89.851 4.484 5.900 1.00 0.00 C ATOM 0 H ALA A 15 90.601 6.202 3.553 1.00 0.00 H new ATOM 0 HA ALA A 15 90.915 6.281 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.271 3.892 6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 15 88.883 4.883 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.723 3.853 5.020 1.00 0.00 H new ATOM 229 N LEU A 16 93.021 4.880 6.172 1.00 0.00 N ATOM 230 CA LEU A 16 94.356 4.349 5.922 1.00 0.00 C ATOM 231 C LEU A 16 94.288 2.840 5.702 1.00 0.00 C ATOM 232 O LEU A 16 93.312 2.195 6.081 1.00 0.00 O ATOM 233 CB LEU A 16 95.267 4.648 7.118 1.00 0.00 C ATOM 234 CG LEU A 16 94.555 4.244 8.442 1.00 0.00 C ATOM 235 CD1 LEU A 16 95.554 3.581 9.399 1.00 0.00 C ATOM 236 CD2 LEU A 16 93.957 5.487 9.124 1.00 0.00 C ATOM 0 H LEU A 16 92.818 5.076 7.152 1.00 0.00 H new ATOM 0 HA LEU A 16 94.761 4.824 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 16 96.204 4.101 7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 16 95.518 5.709 7.139 1.00 0.00 H new ATOM 0 HG LEU A 16 93.758 3.541 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 16 95.044 3.303 10.322 1.00 0.00 H new ATOM 0 HD12 LEU A 16 95.969 2.689 8.931 1.00 0.00 H new ATOM 0 HD13 LEU A 16 96.359 4.280 9.626 1.00 0.00 H new ATOM 0 HD21 LEU A 16 93.462 5.192 10.049 1.00 0.00 H new ATOM 0 HD22 LEU A 16 94.753 6.197 9.349 1.00 0.00 H new ATOM 0 HD23 LEU A 16 93.232 5.954 8.458 1.00 0.00 H new ATOM 248 N GLU A 17 95.325 2.278 5.082 1.00 0.00 N ATOM 249 CA GLU A 17 95.355 0.839 4.820 1.00 0.00 C ATOM 250 C GLU A 17 94.841 0.058 6.026 1.00 0.00 C ATOM 251 O GLU A 17 94.788 0.582 7.138 1.00 0.00 O ATOM 252 CB GLU A 17 96.771 0.372 4.467 1.00 0.00 C ATOM 253 CG GLU A 17 97.782 0.894 5.493 1.00 0.00 C ATOM 254 CD GLU A 17 97.657 0.108 6.795 1.00 0.00 C ATOM 255 OE1 GLU A 17 98.059 -1.043 6.808 1.00 0.00 O ATOM 256 OE2 GLU A 17 97.166 0.671 7.760 1.00 0.00 O1- ATOM 0 H GLU A 17 96.145 2.789 4.755 1.00 0.00 H new ATOM 0 HA GLU A 17 94.702 0.647 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 17 96.804 -0.717 4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.039 0.726 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 17 98.794 0.801 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 17 97.609 1.954 5.680 1.00 0.00 H new ATOM 263 N GLY A 18 94.452 -1.192 5.794 1.00 0.00 N ATOM 264 CA GLY A 18 93.929 -2.031 6.865 1.00 0.00 C ATOM 265 C GLY A 18 92.926 -1.257 7.712 1.00 0.00 C ATOM 266 O GLY A 18 92.665 -1.612 8.862 1.00 0.00 O ATOM 0 H GLY A 18 94.489 -1.643 4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.451 -2.914 6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 18 94.748 -2.382 7.492 1.00 0.00 H new ATOM 270 N GLY A 19 92.382 -0.183 7.141 1.00 0.00 N ATOM 271 CA GLY A 19 91.422 0.658 7.854 1.00 0.00 C ATOM 272 C GLY A 19 89.997 0.145 7.691 1.00 0.00 C ATOM 273 O GLY A 19 89.774 -0.982 7.251 1.00 0.00 O ATOM 0 H GLY A 19 92.589 0.124 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.680 0.688 8.913 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.486 1.680 7.481 1.00 0.00 H new ATOM 277 N GLU A 20 89.034 0.991 8.058 1.00 0.00 N ATOM 278 CA GLU A 20 87.616 0.642 7.965 1.00 0.00 C ATOM 279 C GLU A 20 86.832 1.776 7.315 1.00 0.00 C ATOM 280 O GLU A 20 87.178 2.947 7.468 1.00 0.00 O ATOM 281 CB GLU A 20 87.067 0.386 9.371 1.00 0.00 C ATOM 282 CG GLU A 20 85.599 -0.038 9.284 1.00 0.00 C ATOM 283 CD GLU A 20 85.064 -0.345 10.680 1.00 0.00 C ATOM 284 OE1 GLU A 20 85.872 -0.534 11.575 1.00 0.00 O1- ATOM 285 OE2 GLU A 20 83.854 -0.387 10.834 1.00 0.00 O ATOM 0 H GLU A 20 89.211 1.926 8.424 1.00 0.00 H new ATOM 0 HA GLU A 20 87.510 -0.255 7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 20 87.651 -0.391 9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.160 1.287 9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.009 0.755 8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.502 -0.917 8.646 1.00 0.00 H new ATOM 292 N ALA A 21 85.767 1.424 6.588 1.00 0.00 N ATOM 293 CA ALA A 21 84.931 2.427 5.918 1.00 0.00 C ATOM 294 C ALA A 21 83.453 2.117 6.134 1.00 0.00 C ATOM 295 O ALA A 21 83.021 0.970 5.991 1.00 0.00 O ATOM 296 CB ALA A 21 85.239 2.433 4.417 1.00 0.00 C ATOM 0 H ALA A 21 85.464 0.460 6.449 1.00 0.00 H new ATOM 0 HA ALA A 21 85.151 3.407 6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.617 3.178 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.290 2.676 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 21 85.029 1.449 3.999 1.00 0.00 H new ATOM 302 N LEU A 22 82.680 3.153 6.471 1.00 0.00 N ATOM 303 CA LEU A 22 81.240 2.999 6.702 1.00 0.00 C ATOM 304 C LEU A 22 80.455 4.053 5.930 1.00 0.00 C ATOM 305 O LEU A 22 80.714 5.250 6.064 1.00 0.00 O ATOM 306 CB LEU A 22 80.915 3.152 8.196 1.00 0.00 C ATOM 307 CG LEU A 22 81.681 2.102 9.039 1.00 0.00 C ATOM 308 CD1 LEU A 22 83.038 2.664 9.488 1.00 0.00 C ATOM 309 CD2 LEU A 22 80.865 1.741 10.288 1.00 0.00 C ATOM 0 H LEU A 22 83.026 4.105 6.590 1.00 0.00 H new ATOM 0 HA LEU A 22 80.956 2.004 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.180 4.155 8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.842 3.038 8.352 1.00 0.00 H new ATOM 0 HG LEU A 22 81.837 1.216 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.564 1.915 10.079 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.634 2.919 8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.880 3.557 10.092 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.409 1.002 10.877 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.704 2.636 10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 22 79.902 1.328 9.987 1.00 0.00 H new ATOM 321 N PHE A 23 79.474 3.611 5.142 1.00 0.00 N ATOM 322 CA PHE A 23 78.635 4.537 4.375 1.00 0.00 C ATOM 323 C PHE A 23 77.218 4.539 4.944 1.00 0.00 C ATOM 324 O PHE A 23 76.466 3.580 4.757 1.00 0.00 O ATOM 325 CB PHE A 23 78.562 4.105 2.908 1.00 0.00 C ATOM 326 CG PHE A 23 79.872 4.370 2.202 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.878 3.396 2.199 1.00 0.00 C ATOM 328 CD2 PHE A 23 80.071 5.583 1.533 1.00 0.00 C ATOM 329 CE1 PHE A 23 82.084 3.638 1.529 1.00 0.00 C ATOM 330 CE2 PHE A 23 81.275 5.823 0.863 1.00 0.00 C ATOM 331 CZ PHE A 23 82.281 4.852 0.861 1.00 0.00 C ATOM 0 H PHE A 23 79.241 2.626 5.017 1.00 0.00 H new ATOM 0 HA PHE A 23 79.075 5.532 4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.321 3.044 2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.758 4.643 2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 23 80.724 2.459 2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 23 79.295 6.334 1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 23 82.861 2.888 1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 23 81.428 6.759 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.210 5.039 0.344 1.00 0.00 H new ATOM 341 N GLU A 24 76.869 5.604 5.665 1.00 0.00 N ATOM 342 CA GLU A 24 75.545 5.705 6.285 1.00 0.00 C ATOM 343 C GLU A 24 74.608 6.568 5.447 1.00 0.00 C ATOM 344 O GLU A 24 74.790 7.780 5.338 1.00 0.00 O ATOM 345 CB GLU A 24 75.687 6.319 7.677 1.00 0.00 C ATOM 346 CG GLU A 24 76.441 5.344 8.579 1.00 0.00 C ATOM 347 CD GLU A 24 76.677 5.969 9.949 1.00 0.00 C ATOM 348 OE1 GLU A 24 76.210 7.077 10.162 1.00 0.00 O ATOM 349 OE2 GLU A 24 77.320 5.331 10.766 1.00 0.00 O1- ATOM 0 H GLU A 24 77.478 6.404 5.834 1.00 0.00 H new ATOM 0 HA GLU A 24 75.120 4.704 6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.222 7.267 7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.704 6.534 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.871 4.421 8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 24 77.395 5.079 8.123 1.00 0.00 H new ATOM 356 N CYS A 25 73.600 5.921 4.861 1.00 0.00 N ATOM 357 CA CYS A 25 72.613 6.609 4.029 1.00 0.00 C ATOM 358 C CYS A 25 71.208 6.383 4.590 1.00 0.00 C ATOM 359 O CYS A 25 70.918 5.325 5.150 1.00 0.00 O ATOM 360 CB CYS A 25 72.698 6.076 2.590 1.00 0.00 C ATOM 361 SG CYS A 25 73.994 6.969 1.695 1.00 0.00 S ATOM 0 H CYS A 25 73.446 4.917 4.948 1.00 0.00 H new ATOM 0 HA CYS A 25 72.822 7.679 4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 25 72.916 5.008 2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 25 71.740 6.202 2.086 1.00 0.00 H new ATOM 0 HG CYS A 25 73.690 7.025 0.432 1.00 0.00 H new ATOM 367 N GLN A 26 70.336 7.380 4.429 1.00 0.00 N ATOM 368 CA GLN A 26 68.953 7.286 4.916 1.00 0.00 C ATOM 369 C GLN A 26 67.975 7.383 3.750 1.00 0.00 C ATOM 370 O GLN A 26 68.070 8.292 2.924 1.00 0.00 O ATOM 371 CB GLN A 26 68.667 8.419 5.907 1.00 0.00 C ATOM 372 CG GLN A 26 69.420 8.169 7.214 1.00 0.00 C ATOM 373 CD GLN A 26 69.233 9.354 8.156 1.00 0.00 C ATOM 374 OE1 GLN A 26 68.444 10.257 7.873 1.00 0.00 O ATOM 375 NE2 GLN A 26 69.922 9.410 9.261 1.00 0.00 N ATOM 0 H GLN A 26 70.560 8.261 3.967 1.00 0.00 H new ATOM 0 HA GLN A 26 68.827 6.325 5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 26 68.971 9.374 5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 26 67.596 8.483 6.100 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.054 7.257 7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 26 70.480 8.019 7.010 1.00 0.00 H new ATOM 0 HE21 GLN A 26 70.575 8.661 9.494 1.00 0.00 H new ATOM 0 HE22 GLN A 26 69.808 10.202 9.893 1.00 0.00 H new ATOM 384 N LEU A 27 67.036 6.438 3.686 1.00 0.00 N ATOM 385 CA LEU A 27 66.035 6.415 2.613 1.00 0.00 C ATOM 386 C LEU A 27 64.630 6.581 3.156 1.00 0.00 C ATOM 387 O LEU A 27 64.269 5.989 4.174 1.00 0.00 O ATOM 388 CB LEU A 27 66.089 5.082 1.849 1.00 0.00 C ATOM 389 CG LEU A 27 67.246 5.067 0.846 1.00 0.00 C ATOM 390 CD1 LEU A 27 67.304 3.676 0.202 1.00 0.00 C ATOM 391 CD2 LEU A 27 67.022 6.140 -0.244 1.00 0.00 C ATOM 0 H LEU A 27 66.946 5.679 4.362 1.00 0.00 H new ATOM 0 HA LEU A 27 66.270 7.247 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 27 66.205 4.259 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 27 65.147 4.922 1.325 1.00 0.00 H new ATOM 0 HG LEU A 27 68.183 5.287 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 27 68.122 3.642 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 27 67.468 2.924 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 27 66.363 3.472 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 27 67.851 6.119 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 27 66.091 5.934 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 27 66.966 7.124 0.221 1.00 0.00 H new ATOM 403 N SER A 28 63.822 7.349 2.432 1.00 0.00 N ATOM 404 CA SER A 28 62.433 7.539 2.810 1.00 0.00 C ATOM 405 C SER A 28 61.583 6.552 2.026 1.00 0.00 C ATOM 406 O SER A 28 61.104 6.864 0.948 1.00 0.00 O ATOM 407 CB SER A 28 61.981 8.961 2.498 1.00 0.00 C ATOM 408 OG SER A 28 60.732 9.205 3.130 1.00 0.00 O ATOM 0 H SER A 28 64.106 7.845 1.587 1.00 0.00 H new ATOM 0 HA SER A 28 62.323 7.372 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.725 9.677 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.889 9.098 1.421 1.00 0.00 H new ATOM 0 HG SER A 28 60.439 10.119 2.933 1.00 0.00 H new ATOM 414 N GLN A 29 61.400 5.367 2.580 1.00 0.00 N ATOM 415 CA GLN A 29 60.618 4.322 1.938 1.00 0.00 C ATOM 416 C GLN A 29 60.543 3.104 2.866 1.00 0.00 C ATOM 417 O GLN A 29 61.434 2.256 2.839 1.00 0.00 O ATOM 418 CB GLN A 29 61.288 3.891 0.625 1.00 0.00 C ATOM 419 CG GLN A 29 60.315 3.029 -0.185 1.00 0.00 C ATOM 420 CD GLN A 29 61.067 2.244 -1.258 1.00 0.00 C ATOM 421 OE1 GLN A 29 60.720 1.099 -1.545 1.00 0.00 O ATOM 422 NE2 GLN A 29 62.081 2.792 -1.870 1.00 0.00 N ATOM 0 H GLN A 29 61.788 5.101 3.485 1.00 0.00 H new ATOM 0 HA GLN A 29 59.620 4.707 1.731 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.580 4.768 0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.199 3.330 0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 29 59.790 2.341 0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 29 59.559 3.662 -0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 29 62.368 3.741 -1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 29 62.586 2.271 -2.587 1.00 0.00 H new ATOM 431 N PRO A 30 59.521 2.990 3.680 1.00 0.00 N ATOM 432 CA PRO A 30 59.388 1.833 4.609 1.00 0.00 C ATOM 433 C PRO A 30 59.169 0.522 3.847 1.00 0.00 C ATOM 434 O PRO A 30 58.709 -0.467 4.415 1.00 0.00 O ATOM 435 CB PRO A 30 58.180 2.174 5.516 1.00 0.00 C ATOM 436 CG PRO A 30 57.656 3.523 5.075 1.00 0.00 C ATOM 437 CD PRO A 30 58.404 3.938 3.797 1.00 0.00 C ATOM 0 HA PRO A 30 60.296 1.679 5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.405 1.413 5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 30 58.481 2.202 6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 30 56.584 3.471 4.887 1.00 0.00 H new ATOM 0 HG3 PRO A 30 57.806 4.264 5.860 1.00 0.00 H new ATOM 0 HD2 PRO A 30 57.752 3.888 2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 30 58.764 4.964 3.867 1.00 0.00 H new ATOM 445 N GLU A 31 59.501 0.530 2.557 1.00 0.00 N ATOM 446 CA GLU A 31 59.343 -0.650 1.707 1.00 0.00 C ATOM 447 C GLU A 31 60.592 -0.815 0.848 1.00 0.00 C ATOM 448 O GLU A 31 61.332 0.146 0.672 1.00 0.00 O ATOM 449 CB GLU A 31 58.103 -0.465 0.824 1.00 0.00 C ATOM 450 CG GLU A 31 57.806 -1.748 0.046 1.00 0.00 C ATOM 451 CD GLU A 31 56.504 -1.590 -0.732 1.00 0.00 C ATOM 452 OE1 GLU A 31 55.770 -0.662 -0.436 1.00 0.00 O ATOM 453 OE2 GLU A 31 56.261 -2.398 -1.613 1.00 0.00 O1- ATOM 0 H GLU A 31 59.883 1.344 2.076 1.00 0.00 H new ATOM 0 HA GLU A 31 59.214 -1.544 2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.245 -0.200 1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.263 0.360 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 31 58.625 -1.967 -0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.730 -2.591 0.732 1.00 0.00 H new ATOM 460 N VAL A 32 60.785 -2.019 0.291 1.00 0.00 N ATOM 461 CA VAL A 32 61.918 -2.325 -0.596 1.00 0.00 C ATOM 462 C VAL A 32 62.197 -3.828 -0.602 1.00 0.00 C ATOM 463 O VAL A 32 62.633 -4.389 0.402 1.00 0.00 O ATOM 464 CB VAL A 32 63.210 -1.590 -0.170 1.00 0.00 C ATOM 465 CG1 VAL A 32 63.547 -1.900 1.303 1.00 0.00 C ATOM 466 CG2 VAL A 32 64.366 -2.055 -1.064 1.00 0.00 C ATOM 0 H VAL A 32 60.159 -2.810 0.443 1.00 0.00 H new ATOM 0 HA VAL A 32 61.636 -1.984 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 32 63.060 -0.516 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 32 64.459 -1.375 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 32 62.726 -1.572 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 32 63.694 -2.973 1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 32 65.282 -1.542 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 32 64.502 -3.131 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 32 64.137 -1.823 -2.104 1.00 0.00 H new ATOM 476 N ALA A 33 61.939 -4.479 -1.738 1.00 0.00 N ATOM 477 CA ALA A 33 62.168 -5.921 -1.864 1.00 0.00 C ATOM 478 C ALA A 33 63.435 -6.182 -2.675 1.00 0.00 C ATOM 479 O ALA A 33 64.245 -7.037 -2.316 1.00 0.00 O ATOM 480 CB ALA A 33 60.968 -6.577 -2.555 1.00 0.00 C ATOM 0 H ALA A 33 61.573 -4.034 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 33 62.290 -6.348 -0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 33 61.142 -7.649 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 33 60.069 -6.405 -1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 33 60.838 -6.144 -3.547 1.00 0.00 H new ATOM 486 N ALA A 34 63.595 -5.446 -3.778 1.00 0.00 N ATOM 487 CA ALA A 34 64.765 -5.613 -4.648 1.00 0.00 C ATOM 488 C ALA A 34 65.539 -4.306 -4.773 1.00 0.00 C ATOM 489 O ALA A 34 64.958 -3.222 -4.831 1.00 0.00 O ATOM 490 CB ALA A 34 64.313 -6.062 -6.039 1.00 0.00 C ATOM 0 H ALA A 34 62.935 -4.733 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 34 65.416 -6.367 -4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 34 65.184 -6.185 -6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 34 63.783 -7.011 -5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 34 63.650 -5.310 -6.466 1.00 0.00 H new ATOM 496 N HIS A 35 66.862 -4.431 -4.803 1.00 0.00 N ATOM 497 CA HIS A 35 67.750 -3.275 -4.909 1.00 0.00 C ATOM 498 C HIS A 35 69.073 -3.704 -5.547 1.00 0.00 C ATOM 499 O HIS A 35 69.359 -4.897 -5.641 1.00 0.00 O ATOM 500 CB HIS A 35 67.991 -2.662 -3.506 1.00 0.00 C ATOM 501 CG HIS A 35 67.653 -3.677 -2.442 1.00 0.00 C ATOM 502 ND1 HIS A 35 66.342 -4.018 -2.150 1.00 0.00 N ATOM 503 CD2 HIS A 35 68.433 -4.431 -1.600 1.00 0.00 C ATOM 504 CE1 HIS A 35 66.368 -4.937 -1.169 1.00 0.00 C ATOM 505 NE2 HIS A 35 67.619 -5.227 -0.796 1.00 0.00 N ATOM 0 H HIS A 35 67.347 -5.327 -4.755 1.00 0.00 H new ATOM 0 HA HIS A 35 67.287 -2.516 -5.539 1.00 0.00 H new ATOM 0 HB2 HIS A 35 69.031 -2.351 -3.408 1.00 0.00 H new ATOM 0 HB3 HIS A 35 67.378 -1.770 -3.378 1.00 0.00 H new ATOM 0 HD2 HIS A 35 69.512 -4.410 -1.566 1.00 0.00 H new ATOM 0 HE1 HIS A 35 65.487 -5.386 -0.735 1.00 0.00 H new ATOM 0 HE2 HIS A 35 67.914 -5.888 -0.078 1.00 0.00 H new ATOM 513 N THR A 36 69.876 -2.731 -5.988 1.00 0.00 N ATOM 514 CA THR A 36 71.168 -3.036 -6.620 1.00 0.00 C ATOM 515 C THR A 36 72.318 -2.382 -5.852 1.00 0.00 C ATOM 516 O THR A 36 72.540 -1.182 -5.954 1.00 0.00 O ATOM 517 CB THR A 36 71.152 -2.520 -8.062 1.00 0.00 C ATOM 518 OG1 THR A 36 70.209 -3.270 -8.818 1.00 0.00 O ATOM 519 CG2 THR A 36 72.541 -2.670 -8.689 1.00 0.00 C ATOM 0 H THR A 36 69.660 -1.736 -5.922 1.00 0.00 H new ATOM 0 HA THR A 36 71.321 -4.115 -6.609 1.00 0.00 H new ATOM 0 HB THR A 36 70.873 -1.466 -8.063 1.00 0.00 H new ATOM 0 HG1 THR A 36 70.195 -2.942 -9.741 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.519 -2.300 -9.714 1.00 0.00 H new ATOM 0 HG22 THR A 36 73.265 -2.095 -8.111 1.00 0.00 H new ATOM 0 HG23 THR A 36 72.829 -3.721 -8.688 1.00 0.00 H new ATOM 527 N TRP A 37 73.058 -3.189 -5.093 1.00 0.00 N ATOM 528 CA TRP A 37 74.196 -2.695 -4.308 1.00 0.00 C ATOM 529 C TRP A 37 75.509 -3.203 -4.920 1.00 0.00 C ATOM 530 O TRP A 37 75.963 -4.294 -4.578 1.00 0.00 O ATOM 531 CB TRP A 37 74.061 -3.218 -2.860 1.00 0.00 C ATOM 532 CG TRP A 37 73.315 -2.247 -1.997 1.00 0.00 C ATOM 533 CD1 TRP A 37 71.974 -2.225 -1.817 1.00 0.00 C ATOM 534 CD2 TRP A 37 73.857 -1.175 -1.176 1.00 0.00 C ATOM 535 NE1 TRP A 37 71.659 -1.205 -0.934 1.00 0.00 N ATOM 536 CE2 TRP A 37 72.789 -0.528 -0.513 1.00 0.00 C ATOM 537 CE3 TRP A 37 75.162 -0.707 -0.950 1.00 0.00 C ATOM 538 CZ2 TRP A 37 73.010 0.545 0.353 1.00 0.00 C ATOM 539 CZ3 TRP A 37 75.391 0.372 -0.084 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.317 0.998 0.567 1.00 0.00 C ATOM 0 H TRP A 37 72.892 -4.191 -5.003 1.00 0.00 H new ATOM 0 HA TRP A 37 74.204 -1.605 -4.312 1.00 0.00 H new ATOM 0 HB2 TRP A 37 73.542 -4.177 -2.864 1.00 0.00 H new ATOM 0 HB3 TRP A 37 75.052 -3.394 -2.441 1.00 0.00 H new ATOM 0 HD1 TRP A 37 71.266 -2.893 -2.285 1.00 0.00 H new ATOM 0 HE1 TRP A 37 70.711 -0.981 -0.632 1.00 0.00 H new ATOM 0 HE3 TRP A 37 75.995 -1.182 -1.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 72.180 1.021 0.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 76.399 0.723 0.083 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.499 1.829 1.233 1.00 0.00 H new ATOM 551 N LEU A 38 76.112 -2.419 -5.829 1.00 0.00 N ATOM 552 CA LEU A 38 77.366 -2.838 -6.482 1.00 0.00 C ATOM 553 C LEU A 38 78.471 -1.781 -6.396 1.00 0.00 C ATOM 554 O LEU A 38 78.312 -0.647 -6.849 1.00 0.00 O ATOM 555 CB LEU A 38 77.106 -3.123 -7.962 1.00 0.00 C ATOM 556 CG LEU A 38 76.026 -4.197 -8.126 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.731 -4.374 -9.618 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.513 -5.538 -7.548 1.00 0.00 C ATOM 0 H LEU A 38 75.761 -1.508 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 38 77.704 -3.729 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.794 -2.207 -8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 38 78.028 -3.451 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 38 75.127 -3.887 -7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.963 -5.136 -9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.380 -3.430 -10.034 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.640 -4.682 -10.135 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.735 -6.291 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.413 -5.856 -8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 38 76.736 -5.418 -6.488 1.00 0.00 H new ATOM 570 N LEU A 39 79.603 -2.190 -5.826 1.00 0.00 N ATOM 571 CA LEU A 39 80.771 -1.325 -5.692 1.00 0.00 C ATOM 572 C LEU A 39 81.739 -1.781 -6.770 1.00 0.00 C ATOM 573 O LEU A 39 81.473 -1.586 -7.956 1.00 0.00 O ATOM 574 CB LEU A 39 81.378 -1.446 -4.269 1.00 0.00 C ATOM 575 CG LEU A 39 80.912 -2.736 -3.574 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.526 -3.947 -4.280 1.00 0.00 C ATOM 577 CD2 LEU A 39 81.368 -2.717 -2.107 1.00 0.00 C ATOM 0 H LEU A 39 79.735 -3.127 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 39 80.523 -0.271 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.466 -1.437 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 39 81.086 -0.582 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 39 79.825 -2.801 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 39 81.196 -4.861 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 39 81.207 -3.961 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.613 -3.882 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 39 81.039 -3.631 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 39 82.455 -2.653 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.934 -1.854 -1.602 1.00 0.00 H new ATOM 589 N ASP A 40 82.802 -2.473 -6.391 1.00 0.00 N ATOM 590 CA ASP A 40 83.681 -3.022 -7.388 1.00 0.00 C ATOM 591 C ASP A 40 82.810 -3.986 -8.184 1.00 0.00 C ATOM 592 O ASP A 40 81.691 -4.285 -7.764 1.00 0.00 O ATOM 593 CB ASP A 40 84.881 -3.743 -6.752 1.00 0.00 C ATOM 594 CG ASP A 40 84.421 -5.001 -6.022 1.00 0.00 C ATOM 595 OD1 ASP A 40 83.225 -5.219 -5.951 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 85.277 -5.730 -5.546 1.00 0.00 O ATOM 0 H ASP A 40 83.065 -2.660 -5.423 1.00 0.00 H new ATOM 0 HA ASP A 40 84.115 -2.246 -8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.605 -4.007 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 40 85.387 -3.075 -6.055 1.00 0.00 H new ATOM 601 N ASP A 41 83.258 -4.423 -9.325 1.00 0.00 N ATOM 602 CA ASP A 41 82.432 -5.298 -10.148 1.00 0.00 C ATOM 603 C ASP A 41 82.189 -6.653 -9.474 1.00 0.00 C ATOM 604 O ASP A 41 82.067 -7.671 -10.156 1.00 0.00 O ATOM 605 CB ASP A 41 83.102 -5.527 -11.504 1.00 0.00 C ATOM 606 CG ASP A 41 83.131 -4.226 -12.300 1.00 0.00 C ATOM 607 OD1 ASP A 41 82.516 -3.269 -11.856 1.00 0.00 O ATOM 608 OD2 ASP A 41 83.766 -4.205 -13.341 1.00 0.00 O1- ATOM 0 H ASP A 41 84.174 -4.200 -9.714 1.00 0.00 H new ATOM 0 HA ASP A 41 81.469 -4.805 -10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 41 84.117 -5.897 -11.359 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.561 -6.292 -12.061 1.00 0.00 H new ATOM 613 N GLU A 42 82.078 -6.662 -8.133 1.00 0.00 N ATOM 614 CA GLU A 42 81.802 -7.906 -7.394 1.00 0.00 C ATOM 615 C GLU A 42 80.635 -7.668 -6.424 1.00 0.00 C ATOM 616 O GLU A 42 80.609 -6.641 -5.748 1.00 0.00 O ATOM 617 CB GLU A 42 83.041 -8.358 -6.599 1.00 0.00 C ATOM 618 CG GLU A 42 84.066 -8.981 -7.552 1.00 0.00 C ATOM 619 CD GLU A 42 85.436 -9.047 -6.883 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.620 -9.908 -6.039 1.00 0.00 O ATOM 621 OE2 GLU A 42 86.281 -8.238 -7.228 1.00 0.00 O1- ATOM 0 H GLU A 42 82.174 -5.833 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 42 81.545 -8.687 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.483 -7.507 -6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.752 -9.081 -5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.745 -9.982 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 42 84.128 -8.392 -8.467 1.00 0.00 H new ATOM 628 N PRO A 43 79.671 -8.567 -6.329 1.00 0.00 N ATOM 629 CA PRO A 43 78.527 -8.360 -5.400 1.00 0.00 C ATOM 630 C PRO A 43 79.046 -8.093 -3.988 1.00 0.00 C ATOM 631 O PRO A 43 80.002 -8.730 -3.548 1.00 0.00 O ATOM 632 CB PRO A 43 77.698 -9.666 -5.469 1.00 0.00 C ATOM 633 CG PRO A 43 78.373 -10.577 -6.470 1.00 0.00 C ATOM 634 CD PRO A 43 79.576 -9.830 -7.076 1.00 0.00 C ATOM 0 HA PRO A 43 77.916 -7.499 -5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.649 -10.142 -4.489 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.673 -9.454 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.703 -11.495 -5.984 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.672 -10.865 -7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.491 -10.414 -6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.428 -9.646 -8.140 1.00 0.00 H new ATOM 642 N VAL A 44 78.445 -7.127 -3.291 1.00 0.00 N ATOM 643 CA VAL A 44 78.916 -6.784 -1.951 1.00 0.00 C ATOM 644 C VAL A 44 78.196 -7.567 -0.859 1.00 0.00 C ATOM 645 O VAL A 44 77.228 -7.112 -0.254 1.00 0.00 O ATOM 646 CB VAL A 44 78.778 -5.278 -1.712 1.00 0.00 C ATOM 647 CG1 VAL A 44 77.306 -4.839 -1.809 1.00 0.00 C ATOM 648 CG2 VAL A 44 79.352 -4.921 -0.333 1.00 0.00 C ATOM 0 H VAL A 44 77.650 -6.581 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 44 79.968 -7.064 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 44 79.338 -4.749 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 44 77.234 -3.765 -1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 44 76.921 -5.073 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 44 76.718 -5.368 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 44 79.253 -3.849 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 44 78.806 -5.462 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 44 80.405 -5.199 -0.294 1.00 0.00 H new ATOM 658 N ARG A 45 78.746 -8.736 -0.592 1.00 0.00 N ATOM 659 CA ARG A 45 78.269 -9.624 0.454 1.00 0.00 C ATOM 660 C ARG A 45 79.516 -10.300 0.992 1.00 0.00 C ATOM 661 O ARG A 45 80.076 -9.884 1.990 1.00 0.00 O ATOM 662 CB ARG A 45 77.269 -10.647 -0.114 1.00 0.00 C ATOM 663 CG ARG A 45 76.777 -11.603 0.987 1.00 0.00 C ATOM 664 CD ARG A 45 75.663 -10.939 1.807 1.00 0.00 C ATOM 665 NE ARG A 45 75.144 -11.873 2.803 1.00 0.00 N ATOM 666 CZ ARG A 45 74.133 -12.691 2.519 1.00 0.00 C ATOM 667 NH1 ARG A 45 73.134 -12.266 1.798 1.00 0.00 N ATOM 668 NH2 ARG A 45 74.143 -13.919 2.960 1.00 0.00 N1+ ATOM 0 H ARG A 45 79.549 -9.102 -1.103 1.00 0.00 H new ATOM 0 HA ARG A 45 77.734 -9.090 1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 45 76.419 -10.125 -0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 45 77.741 -11.218 -0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 45 76.408 -12.526 0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 45 77.606 -11.875 1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 45 76.048 -10.046 2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 45 74.858 -10.616 1.146 1.00 0.00 H new ATOM 0 HE ARG A 45 75.564 -11.899 3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 45 73.127 -11.307 1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 45 72.359 -12.893 1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 45 74.926 -14.252 3.523 1.00 0.00 H new ATOM 0 HH22 ARG A 45 73.368 -14.545 2.742 1.00 0.00 H new ATOM 682 N THR A 46 79.961 -11.312 0.275 1.00 0.00 N ATOM 683 CA THR A 46 81.184 -12.024 0.626 1.00 0.00 C ATOM 684 C THR A 46 81.116 -12.617 2.045 1.00 0.00 C ATOM 685 O THR A 46 80.198 -13.378 2.351 1.00 0.00 O ATOM 686 CB THR A 46 82.386 -11.065 0.472 1.00 0.00 C ATOM 687 OG1 THR A 46 82.594 -10.351 1.682 1.00 0.00 O ATOM 688 CG2 THR A 46 82.114 -10.058 -0.656 1.00 0.00 C ATOM 0 H THR A 46 79.494 -11.665 -0.560 1.00 0.00 H new ATOM 0 HA THR A 46 81.307 -12.868 -0.052 1.00 0.00 H new ATOM 0 HB THR A 46 83.272 -11.654 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.753 -9.933 1.964 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.966 -9.386 -0.757 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.961 -10.594 -1.593 1.00 0.00 H new ATOM 0 HG23 THR A 46 81.222 -9.479 -0.419 1.00 0.00 H new ATOM 696 N SER A 47 82.105 -12.305 2.899 1.00 0.00 N ATOM 697 CA SER A 47 82.149 -12.856 4.264 1.00 0.00 C ATOM 698 C SER A 47 82.517 -11.784 5.294 1.00 0.00 C ATOM 699 O SER A 47 82.137 -10.633 5.167 1.00 0.00 O ATOM 700 CB SER A 47 83.195 -13.968 4.313 1.00 0.00 C ATOM 701 OG SER A 47 83.067 -14.781 3.155 1.00 0.00 O ATOM 0 H SER A 47 82.878 -11.680 2.671 1.00 0.00 H new ATOM 0 HA SER A 47 81.159 -13.239 4.510 1.00 0.00 H new ATOM 0 HB2 SER A 47 84.196 -13.540 4.363 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.061 -14.570 5.212 1.00 0.00 H new ATOM 0 HG SER A 47 83.737 -15.495 3.181 1.00 0.00 H new ATOM 707 N GLU A 48 83.241 -12.175 6.334 1.00 0.00 N ATOM 708 CA GLU A 48 83.622 -11.224 7.377 1.00 0.00 C ATOM 709 C GLU A 48 84.401 -10.047 6.784 1.00 0.00 C ATOM 710 O GLU A 48 84.198 -8.897 7.173 1.00 0.00 O ATOM 711 CB GLU A 48 84.490 -11.922 8.430 1.00 0.00 C ATOM 712 CG GLU A 48 84.785 -10.957 9.585 1.00 0.00 C ATOM 713 CD GLU A 48 85.665 -11.642 10.626 1.00 0.00 C ATOM 714 OE1 GLU A 48 86.206 -12.691 10.320 1.00 0.00 O1- ATOM 715 OE2 GLU A 48 85.789 -11.102 11.714 1.00 0.00 O ATOM 0 H GLU A 48 83.573 -13.128 6.480 1.00 0.00 H new ATOM 0 HA GLU A 48 82.710 -10.847 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 48 83.979 -12.808 8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 48 85.423 -12.260 7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 48 85.283 -10.065 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 48 83.852 -10.630 10.044 1.00 0.00 H new ATOM 722 N ASN A 49 85.308 -10.348 5.861 1.00 0.00 N ATOM 723 CA ASN A 49 86.133 -9.310 5.244 1.00 0.00 C ATOM 724 C ASN A 49 85.285 -8.291 4.480 1.00 0.00 C ATOM 725 O ASN A 49 85.820 -7.358 3.881 1.00 0.00 O ATOM 726 CB ASN A 49 87.143 -9.949 4.290 1.00 0.00 C ATOM 727 CG ASN A 49 86.412 -10.673 3.165 1.00 0.00 C ATOM 728 OD1 ASN A 49 85.252 -11.056 3.323 1.00 0.00 O ATOM 729 ND2 ASN A 49 87.023 -10.883 2.032 1.00 0.00 N ATOM 0 H ASN A 49 85.491 -11.293 5.524 1.00 0.00 H new ATOM 0 HA ASN A 49 86.655 -8.784 6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 49 87.799 -9.183 3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.776 -10.650 4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 49 86.540 -11.365 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 49 87.984 -10.565 1.904 1.00 0.00 H new ATOM 736 N ALA A 50 83.968 -8.466 4.514 1.00 0.00 N ATOM 737 CA ALA A 50 83.050 -7.549 3.831 1.00 0.00 C ATOM 738 C ALA A 50 81.631 -8.097 3.912 1.00 0.00 C ATOM 739 O ALA A 50 81.417 -9.270 3.644 1.00 0.00 O ATOM 740 CB ALA A 50 83.456 -7.383 2.364 1.00 0.00 C ATOM 0 H ALA A 50 83.509 -9.233 5.006 1.00 0.00 H new ATOM 0 HA ALA A 50 83.095 -6.575 4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.765 -6.700 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.467 -6.979 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.425 -8.352 1.866 1.00 0.00 H new ATOM 746 N GLU A 51 80.668 -7.236 4.254 1.00 0.00 N ATOM 747 CA GLU A 51 79.263 -7.650 4.357 1.00 0.00 C ATOM 748 C GLU A 51 78.396 -6.452 4.745 1.00 0.00 C ATOM 749 O GLU A 51 78.853 -5.559 5.470 1.00 0.00 O ATOM 750 CB GLU A 51 79.119 -8.749 5.420 1.00 0.00 C ATOM 751 CG GLU A 51 77.665 -9.217 5.501 1.00 0.00 C ATOM 752 CD GLU A 51 77.544 -10.330 6.537 1.00 0.00 C ATOM 753 OE1 GLU A 51 77.539 -10.017 7.716 1.00 0.00 O1- ATOM 754 OE2 GLU A 51 77.464 -11.480 6.137 1.00 0.00 O ATOM 0 H GLU A 51 80.833 -6.252 4.464 1.00 0.00 H new ATOM 0 HA GLU A 51 78.937 -8.036 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.767 -9.591 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.442 -8.371 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 51 77.018 -8.382 5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 51 77.333 -9.575 4.527 1.00 0.00 H new ATOM 761 N VAL A 52 77.158 -6.393 4.234 1.00 0.00 N ATOM 762 CA VAL A 52 76.263 -5.268 4.516 1.00 0.00 C ATOM 763 C VAL A 52 75.172 -5.641 5.524 1.00 0.00 C ATOM 764 O VAL A 52 74.782 -6.801 5.636 1.00 0.00 O ATOM 765 CB VAL A 52 75.590 -4.853 3.199 1.00 0.00 C ATOM 766 CG1 VAL A 52 74.932 -3.473 3.345 1.00 0.00 C ATOM 767 CG2 VAL A 52 76.637 -4.833 2.071 1.00 0.00 C ATOM 0 H VAL A 52 76.758 -7.108 3.627 1.00 0.00 H new ATOM 0 HA VAL A 52 76.853 -4.458 4.944 1.00 0.00 H new ATOM 0 HB VAL A 52 74.813 -5.576 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 52 74.460 -3.194 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 52 74.178 -3.511 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.690 -2.734 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 52 76.159 -4.539 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 52 77.423 -4.120 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 52 77.071 -5.827 1.959 1.00 0.00 H new ATOM 777 N VAL A 53 74.664 -4.625 6.225 1.00 0.00 N ATOM 778 CA VAL A 53 73.588 -4.812 7.200 1.00 0.00 C ATOM 779 C VAL A 53 72.722 -3.552 7.240 1.00 0.00 C ATOM 780 O VAL A 53 73.215 -2.460 6.975 1.00 0.00 O ATOM 781 CB VAL A 53 74.170 -5.087 8.591 1.00 0.00 C ATOM 782 CG1 VAL A 53 74.698 -6.522 8.658 1.00 0.00 C ATOM 783 CG2 VAL A 53 75.317 -4.112 8.865 1.00 0.00 C ATOM 0 H VAL A 53 74.983 -3.660 6.135 1.00 0.00 H new ATOM 0 HA VAL A 53 72.981 -5.667 6.904 1.00 0.00 H new ATOM 0 HB VAL A 53 73.389 -4.955 9.339 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.111 -6.712 9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 53 73.883 -7.219 8.465 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.477 -6.658 7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 53 75.732 -4.307 9.854 1.00 0.00 H new ATOM 0 HG22 VAL A 53 76.095 -4.245 8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 53 74.943 -3.089 8.823 1.00 0.00 H new ATOM 793 N PHE A 54 71.436 -3.695 7.574 1.00 0.00 N ATOM 794 CA PHE A 54 70.544 -2.530 7.636 1.00 0.00 C ATOM 795 C PHE A 54 69.445 -2.737 8.676 1.00 0.00 C ATOM 796 O PHE A 54 69.008 -3.863 8.912 1.00 0.00 O ATOM 797 CB PHE A 54 69.913 -2.283 6.262 1.00 0.00 C ATOM 798 CG PHE A 54 68.940 -3.388 5.931 1.00 0.00 C ATOM 799 CD1 PHE A 54 69.392 -4.558 5.311 1.00 0.00 C ATOM 800 CD2 PHE A 54 67.582 -3.236 6.239 1.00 0.00 C ATOM 801 CE1 PHE A 54 68.485 -5.578 4.998 1.00 0.00 C ATOM 802 CE2 PHE A 54 66.676 -4.255 5.928 1.00 0.00 C ATOM 803 CZ PHE A 54 67.127 -5.427 5.307 1.00 0.00 C ATOM 0 H PHE A 54 70.995 -4.586 7.802 1.00 0.00 H new ATOM 0 HA PHE A 54 71.136 -1.663 7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 54 69.399 -1.322 6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 54 70.691 -2.233 5.500 1.00 0.00 H new ATOM 0 HD1 PHE A 54 70.439 -4.674 5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 54 67.235 -2.332 6.717 1.00 0.00 H new ATOM 0 HE1 PHE A 54 68.832 -6.481 4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 54 65.629 -4.138 6.166 1.00 0.00 H new ATOM 0 HZ PHE A 54 66.428 -6.214 5.066 1.00 0.00 H new ATOM 813 N PHE A 55 69.014 -1.643 9.315 1.00 0.00 N ATOM 814 CA PHE A 55 67.980 -1.722 10.352 1.00 0.00 C ATOM 815 C PHE A 55 66.889 -0.675 10.133 1.00 0.00 C ATOM 816 O PHE A 55 66.900 0.065 9.150 1.00 0.00 O ATOM 817 CB PHE A 55 68.620 -1.479 11.720 1.00 0.00 C ATOM 818 CG PHE A 55 69.910 -2.252 11.815 1.00 0.00 C ATOM 819 CD1 PHE A 55 69.896 -3.606 12.162 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.126 -1.608 11.554 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.098 -4.318 12.249 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.328 -2.319 11.639 1.00 0.00 C ATOM 823 CZ PHE A 55 72.315 -3.674 11.988 1.00 0.00 C ATOM 0 H PHE A 55 69.362 -0.701 9.134 1.00 0.00 H new ATOM 0 HA PHE A 55 67.528 -2.713 10.304 1.00 0.00 H new ATOM 0 HB2 PHE A 55 68.810 -0.415 11.861 1.00 0.00 H new ATOM 0 HB3 PHE A 55 67.939 -1.789 12.512 1.00 0.00 H new ATOM 0 HD1 PHE A 55 68.958 -4.103 12.363 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.136 -0.562 11.287 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.088 -5.364 12.517 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.265 -1.822 11.435 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.242 -4.223 12.056 1.00 0.00 H new ATOM 833 N GLU A 56 65.957 -0.628 11.083 1.00 0.00 N ATOM 834 CA GLU A 56 64.846 0.320 11.048 1.00 0.00 C ATOM 835 C GLU A 56 63.963 0.105 9.818 1.00 0.00 C ATOM 836 O GLU A 56 63.228 1.002 9.414 1.00 0.00 O ATOM 837 CB GLU A 56 65.372 1.759 11.080 1.00 0.00 C ATOM 838 CG GLU A 56 66.181 1.986 12.363 1.00 0.00 C ATOM 839 CD GLU A 56 65.287 1.843 13.594 1.00 0.00 C ATOM 840 OE1 GLU A 56 64.082 1.953 13.445 1.00 0.00 O1- ATOM 841 OE2 GLU A 56 65.825 1.628 14.668 1.00 0.00 O ATOM 0 H GLU A 56 65.951 -1.244 11.896 1.00 0.00 H new ATOM 0 HA GLU A 56 64.233 0.146 11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 56 65.997 1.947 10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.540 2.462 11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 56 66.999 1.268 12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 56 66.629 2.979 12.346 1.00 0.00 H new ATOM 848 N ASN A 57 64.023 -1.101 9.255 1.00 0.00 N ATOM 849 CA ASN A 57 63.207 -1.466 8.088 1.00 0.00 C ATOM 850 C ASN A 57 63.611 -0.733 6.803 1.00 0.00 C ATOM 851 O ASN A 57 62.747 -0.329 6.025 1.00 0.00 O ATOM 852 CB ASN A 57 61.728 -1.193 8.375 1.00 0.00 C ATOM 853 CG ASN A 57 60.856 -1.912 7.349 1.00 0.00 C ATOM 854 OD1 ASN A 57 59.630 -1.836 7.415 1.00 0.00 O ATOM 855 ND2 ASN A 57 61.419 -2.603 6.396 1.00 0.00 N ATOM 0 H ASN A 57 64.631 -1.849 9.588 1.00 0.00 H new ATOM 0 HA ASN A 57 63.380 -2.529 7.920 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.476 -1.531 9.380 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.534 -0.121 8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 57 60.842 -3.081 5.704 1.00 0.00 H new ATOM 0 HD22 ASN A 57 62.436 -2.665 6.343 1.00 0.00 H new ATOM 862 N GLY A 58 64.914 -0.598 6.557 1.00 0.00 N ATOM 863 CA GLY A 58 65.390 0.051 5.329 1.00 0.00 C ATOM 864 C GLY A 58 65.571 1.559 5.489 1.00 0.00 C ATOM 865 O GLY A 58 66.112 2.220 4.601 1.00 0.00 O ATOM 0 H GLY A 58 65.653 -0.924 7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 58 66.339 -0.395 5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 58 64.682 -0.142 4.523 1.00 0.00 H new ATOM 869 N LEU A 59 65.128 2.101 6.613 1.00 0.00 N ATOM 870 CA LEU A 59 65.261 3.534 6.860 1.00 0.00 C ATOM 871 C LEU A 59 66.738 3.910 6.996 1.00 0.00 C ATOM 872 O LEU A 59 67.138 5.029 6.679 1.00 0.00 O ATOM 873 CB LEU A 59 64.485 3.919 8.129 1.00 0.00 C ATOM 874 CG LEU A 59 63.010 4.181 7.781 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.431 2.989 7.006 1.00 0.00 C ATOM 876 CD2 LEU A 59 62.216 4.397 9.075 1.00 0.00 C ATOM 0 H LEU A 59 64.677 1.579 7.364 1.00 0.00 H new ATOM 0 HA LEU A 59 64.843 4.083 6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 59 64.557 3.120 8.867 1.00 0.00 H new ATOM 0 HB3 LEU A 59 64.925 4.809 8.579 1.00 0.00 H new ATOM 0 HG LEU A 59 62.939 5.072 7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 59 61.386 3.185 6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.996 2.845 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.500 2.089 7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 59 61.170 4.583 8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.291 3.508 9.701 1.00 0.00 H new ATOM 0 HD23 LEU A 59 62.622 5.254 9.612 1.00 0.00 H new ATOM 888 N ARG A 60 67.545 2.949 7.443 1.00 0.00 N ATOM 889 CA ARG A 60 68.989 3.157 7.595 1.00 0.00 C ATOM 890 C ARG A 60 69.749 2.030 6.906 1.00 0.00 C ATOM 891 O ARG A 60 69.331 0.877 6.950 1.00 0.00 O ATOM 892 CB ARG A 60 69.379 3.215 9.077 1.00 0.00 C ATOM 893 CG ARG A 60 68.924 4.549 9.680 1.00 0.00 C ATOM 894 CD ARG A 60 69.308 4.604 11.162 1.00 0.00 C ATOM 895 NE ARG A 60 68.941 5.898 11.732 1.00 0.00 N ATOM 896 CZ ARG A 60 69.208 6.196 13.002 1.00 0.00 C ATOM 897 NH1 ARG A 60 68.843 5.381 13.955 1.00 0.00 N1+ ATOM 898 NH2 ARG A 60 69.838 7.301 13.295 1.00 0.00 N ATOM 0 H ARG A 60 67.226 2.017 7.707 1.00 0.00 H new ATOM 0 HA ARG A 60 69.250 4.109 7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 60 68.920 2.386 9.616 1.00 0.00 H new ATOM 0 HB3 ARG A 60 70.458 3.106 9.183 1.00 0.00 H new ATOM 0 HG2 ARG A 60 69.386 5.378 9.144 1.00 0.00 H new ATOM 0 HG3 ARG A 60 67.845 4.660 9.570 1.00 0.00 H new ATOM 0 HD2 ARG A 60 68.805 3.804 11.705 1.00 0.00 H new ATOM 0 HD3 ARG A 60 70.380 4.440 11.273 1.00 0.00 H new ATOM 0 HE ARG A 60 68.471 6.587 11.145 1.00 0.00 H new ATOM 0 HH11 ARG A 60 68.353 4.516 13.727 1.00 0.00 H new ATOM 0 HH12 ARG A 60 69.048 5.610 14.928 1.00 0.00 H new ATOM 0 HH21 ARG A 60 70.126 7.937 12.551 1.00 0.00 H new ATOM 0 HH22 ARG A 60 70.042 7.529 14.268 1.00 0.00 H new ATOM 912 N HIS A 61 70.872 2.371 6.274 1.00 0.00 N ATOM 913 CA HIS A 61 71.694 1.376 5.575 1.00 0.00 C ATOM 914 C HIS A 61 73.171 1.592 5.894 1.00 0.00 C ATOM 915 O HIS A 61 73.718 2.665 5.643 1.00 0.00 O ATOM 916 CB HIS A 61 71.475 1.488 4.055 1.00 0.00 C ATOM 917 CG HIS A 61 70.202 0.784 3.657 1.00 0.00 C ATOM 918 ND1 HIS A 61 68.995 1.452 3.519 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.940 -0.529 3.350 1.00 0.00 C ATOM 920 CE1 HIS A 61 68.072 0.547 3.143 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.594 -0.675 3.026 1.00 0.00 N ATOM 0 H HIS A 61 71.234 3.323 6.230 1.00 0.00 H new ATOM 0 HA HIS A 61 71.398 0.382 5.911 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.425 2.537 3.764 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.321 1.051 3.525 1.00 0.00 H new ATOM 0 HD2 HIS A 61 70.668 -1.327 3.359 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.034 0.782 2.958 1.00 0.00 H new ATOM 0 HE2 HIS A 61 68.111 -1.532 2.757 1.00 0.00 H new ATOM 929 N LEU A 62 73.815 0.562 6.446 1.00 0.00 N ATOM 930 CA LEU A 62 75.236 0.637 6.796 1.00 0.00 C ATOM 931 C LEU A 62 76.038 -0.346 5.947 1.00 0.00 C ATOM 932 O LEU A 62 75.691 -1.523 5.846 1.00 0.00 O ATOM 933 CB LEU A 62 75.434 0.290 8.279 1.00 0.00 C ATOM 934 CG LEU A 62 74.758 1.349 9.179 1.00 0.00 C ATOM 935 CD1 LEU A 62 73.268 1.029 9.366 1.00 0.00 C ATOM 936 CD2 LEU A 62 75.436 1.362 10.554 1.00 0.00 C ATOM 0 H LEU A 62 73.376 -0.333 6.660 1.00 0.00 H new ATOM 0 HA LEU A 62 75.584 1.653 6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 62 75.014 -0.694 8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.499 0.237 8.507 1.00 0.00 H new ATOM 0 HG LEU A 62 74.858 2.323 8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 62 72.810 1.786 10.003 1.00 0.00 H new ATOM 0 HD12 LEU A 62 72.772 1.023 8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 62 73.162 0.050 9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 62 74.959 2.109 11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.340 0.379 11.016 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.492 1.607 10.437 1.00 0.00 H new ATOM 948 N LEU A 63 77.115 0.146 5.341 1.00 0.00 N ATOM 949 CA LEU A 63 77.979 -0.687 4.497 1.00 0.00 C ATOM 950 C LEU A 63 79.348 -0.835 5.142 1.00 0.00 C ATOM 951 O LEU A 63 80.126 0.121 5.136 1.00 0.00 O ATOM 952 CB LEU A 63 78.161 0.003 3.140 1.00 0.00 C ATOM 953 CG LEU A 63 78.840 -0.945 2.130 1.00 0.00 C ATOM 954 CD1 LEU A 63 77.788 -1.834 1.445 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.589 -0.115 1.070 1.00 0.00 C ATOM 0 H LEU A 63 77.414 1.118 5.416 1.00 0.00 H new ATOM 0 HA LEU A 63 77.520 -1.668 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.191 0.318 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.763 0.903 3.263 1.00 0.00 H new ATOM 0 HG LEU A 63 79.547 -1.583 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 63 78.280 -2.498 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 63 77.268 -2.428 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.069 -1.207 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 63 80.069 -0.784 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.882 0.528 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 63 80.346 0.499 1.557 1.00 0.00 H new ATOM 967 N LEU A 64 79.656 -2.002 5.731 1.00 0.00 N ATOM 968 CA LEU A 64 80.947 -2.181 6.393 1.00 0.00 C ATOM 969 C LEU A 64 81.874 -3.057 5.562 1.00 0.00 C ATOM 970 O LEU A 64 81.609 -4.238 5.345 1.00 0.00 O ATOM 971 CB LEU A 64 80.704 -2.835 7.763 1.00 0.00 C ATOM 972 CG LEU A 64 82.030 -3.210 8.439 1.00 0.00 C ATOM 973 CD1 LEU A 64 82.926 -1.976 8.563 1.00 0.00 C ATOM 974 CD2 LEU A 64 81.733 -3.765 9.837 1.00 0.00 C ATOM 0 H LEU A 64 79.041 -2.815 5.760 1.00 0.00 H new ATOM 0 HA LEU A 64 81.425 -1.209 6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.147 -2.150 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.090 -3.727 7.640 1.00 0.00 H new ATOM 0 HG LEU A 64 82.544 -3.960 7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 64 83.864 -2.254 9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 64 83.132 -1.575 7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 64 82.421 -1.219 9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 64 82.668 -4.035 10.327 1.00 0.00 H new ATOM 0 HD22 LEU A 64 81.219 -3.007 10.428 1.00 0.00 H new ATOM 0 HD23 LEU A 64 81.100 -4.648 9.751 1.00 0.00 H new ATOM 986 N LEU A 65 82.986 -2.467 5.136 1.00 0.00 N ATOM 987 CA LEU A 65 83.998 -3.185 4.363 1.00 0.00 C ATOM 988 C LEU A 65 85.328 -3.045 5.090 1.00 0.00 C ATOM 989 O LEU A 65 85.756 -1.928 5.391 1.00 0.00 O ATOM 990 CB LEU A 65 84.114 -2.589 2.957 1.00 0.00 C ATOM 991 CG LEU A 65 82.749 -2.611 2.262 1.00 0.00 C ATOM 992 CD1 LEU A 65 82.875 -1.937 0.894 1.00 0.00 C ATOM 993 CD2 LEU A 65 82.272 -4.060 2.076 1.00 0.00 C ATOM 0 H LEU A 65 83.212 -1.488 5.313 1.00 0.00 H new ATOM 0 HA LEU A 65 83.720 -4.235 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 65 84.484 -1.565 3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 65 84.838 -3.156 2.372 1.00 0.00 H new ATOM 0 HG LEU A 65 82.024 -2.077 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 65 81.907 -1.948 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 65 83.204 -0.906 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 65 83.604 -2.476 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 65 81.301 -4.063 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 65 82.992 -4.605 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 65 82.184 -4.542 3.050 1.00 0.00 H new ATOM 1005 N LYS A 66 85.945 -4.170 5.451 1.00 0.00 N ATOM 1006 CA LYS A 66 87.181 -4.149 6.231 1.00 0.00 C ATOM 1007 C LYS A 66 88.417 -4.405 5.368 1.00 0.00 C ATOM 1008 O LYS A 66 88.359 -4.361 4.138 1.00 0.00 O ATOM 1009 CB LYS A 66 87.074 -5.239 7.301 1.00 0.00 C ATOM 1010 CG LYS A 66 85.944 -4.886 8.271 1.00 0.00 C ATOM 1011 CD LYS A 66 85.650 -6.079 9.192 1.00 0.00 C ATOM 1012 CE LYS A 66 86.778 -6.261 10.214 1.00 0.00 C ATOM 1013 NZ LYS A 66 87.083 -4.962 10.877 1.00 0.00 N1+ ATOM 0 H LYS A 66 85.610 -5.104 5.216 1.00 0.00 H new ATOM 0 HA LYS A 66 87.300 -3.160 6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 66 86.880 -6.205 6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.017 -5.329 7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.223 -4.017 8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 66 85.047 -4.616 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 66 84.704 -5.921 9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 66 85.540 -6.986 8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 66 86.487 -7.000 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 66 87.670 -6.643 9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 87.625 -5.135 11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 87.643 -4.367 10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 86.195 -4.476 11.113 1.00 0.00 H new ATOM 1027 N ASN A 67 89.531 -4.699 6.040 1.00 0.00 N ATOM 1028 CA ASN A 67 90.793 -4.993 5.359 1.00 0.00 C ATOM 1029 C ASN A 67 90.971 -4.092 4.137 1.00 0.00 C ATOM 1030 O ASN A 67 91.296 -4.566 3.049 1.00 0.00 O ATOM 1031 CB ASN A 67 90.807 -6.465 4.929 1.00 0.00 C ATOM 1032 CG ASN A 67 92.238 -6.928 4.680 1.00 0.00 C ATOM 1033 OD1 ASN A 67 92.563 -7.388 3.585 1.00 0.00 O ATOM 1034 ND2 ASN A 67 93.118 -6.831 5.638 1.00 0.00 N ATOM 0 H ASN A 67 89.585 -4.740 7.058 1.00 0.00 H new ATOM 0 HA ASN A 67 91.617 -4.803 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.347 -7.081 5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 67 90.213 -6.593 4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 67 94.078 -7.137 5.481 1.00 0.00 H new ATOM 0 HD22 ASN A 67 92.846 -6.450 6.544 1.00 0.00 H new ATOM 1041 N LEU A 68 90.712 -2.802 4.315 1.00 0.00 N ATOM 1042 CA LEU A 68 90.804 -1.862 3.204 1.00 0.00 C ATOM 1043 C LEU A 68 92.248 -1.529 2.846 1.00 0.00 C ATOM 1044 O LEU A 68 92.928 -0.816 3.575 1.00 0.00 O ATOM 1045 CB LEU A 68 90.082 -0.568 3.573 1.00 0.00 C ATOM 1046 CG LEU A 68 88.630 -0.870 3.967 1.00 0.00 C ATOM 1047 CD1 LEU A 68 87.951 0.424 4.430 1.00 0.00 C ATOM 1048 CD2 LEU A 68 87.867 -1.454 2.762 1.00 0.00 C ATOM 0 H LEU A 68 90.440 -2.387 5.206 1.00 0.00 H new ATOM 0 HA LEU A 68 90.341 -2.336 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 68 90.597 -0.078 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.102 0.122 2.730 1.00 0.00 H new ATOM 0 HG LEU A 68 88.621 -1.599 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 68 86.919 0.213 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 68 88.486 0.828 5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 68 87.965 1.152 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 68 86.837 -1.665 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 68 87.874 -0.734 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.349 -2.376 2.438 1.00 0.00 H new ATOM 1060 N ARG A 69 92.687 -2.018 1.685 1.00 0.00 N ATOM 1061 CA ARG A 69 94.039 -1.748 1.184 1.00 0.00 C ATOM 1062 C ARG A 69 93.940 -0.654 0.115 1.00 0.00 C ATOM 1063 O ARG A 69 92.844 -0.155 -0.146 1.00 0.00 O ATOM 1064 CB ARG A 69 94.660 -3.041 0.603 1.00 0.00 C ATOM 1065 CG ARG A 69 93.997 -4.274 1.233 1.00 0.00 C ATOM 1066 CD ARG A 69 94.886 -5.505 1.012 1.00 0.00 C ATOM 1067 NE ARG A 69 94.206 -6.714 1.462 1.00 0.00 N ATOM 1068 CZ ARG A 69 94.734 -7.918 1.254 1.00 0.00 C ATOM 1069 NH1 ARG A 69 95.089 -8.275 0.050 1.00 0.00 N1+ ATOM 1070 NH2 ARG A 69 94.895 -8.741 2.253 1.00 0.00 N ATOM 0 H ARG A 69 92.124 -2.606 1.070 1.00 0.00 H new ATOM 0 HA ARG A 69 94.686 -1.410 1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 69 94.530 -3.062 -0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 69 95.733 -3.057 0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.842 -4.111 2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 69 93.015 -4.438 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.137 -5.594 -0.045 1.00 0.00 H new ATOM 0 HD3 ARG A 69 95.824 -5.385 1.554 1.00 0.00 H new ATOM 0 HE ARG A 69 93.311 -6.636 1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 69 94.962 -7.631 -0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 69 95.494 -9.198 -0.110 1.00 0.00 H new ATOM 0 HH21 ARG A 69 94.616 -8.462 3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 69 95.300 -9.664 2.094 1.00 0.00 H new ATOM 1084 N PRO A 70 95.022 -0.256 -0.505 1.00 0.00 N ATOM 1085 CA PRO A 70 94.962 0.805 -1.542 1.00 0.00 C ATOM 1086 C PRO A 70 94.211 0.308 -2.776 1.00 0.00 C ATOM 1087 O PRO A 70 93.522 1.072 -3.452 1.00 0.00 O ATOM 1088 CB PRO A 70 96.439 1.163 -1.838 1.00 0.00 C ATOM 1089 CG PRO A 70 97.290 0.299 -0.934 1.00 0.00 C ATOM 1090 CD PRO A 70 96.381 -0.774 -0.314 1.00 0.00 C ATOM 0 HA PRO A 70 94.413 1.688 -1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.678 0.979 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.625 2.220 -1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 70 98.098 -0.166 -1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 70 97.754 0.903 -0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.512 -1.738 -0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.605 -0.922 0.742 1.00 0.00 H new ATOM 1098 N GLN A 71 94.361 -0.981 -3.061 1.00 0.00 N ATOM 1099 CA GLN A 71 93.703 -1.575 -4.218 1.00 0.00 C ATOM 1100 C GLN A 71 92.194 -1.337 -4.152 1.00 0.00 C ATOM 1101 O GLN A 71 91.591 -0.887 -5.125 1.00 0.00 O ATOM 1102 CB GLN A 71 94.003 -3.085 -4.274 1.00 0.00 C ATOM 1103 CG GLN A 71 92.986 -3.813 -5.181 1.00 0.00 C ATOM 1104 CD GLN A 71 91.719 -4.156 -4.398 1.00 0.00 C ATOM 1105 OE1 GLN A 71 91.751 -4.263 -3.172 1.00 0.00 O ATOM 1106 NE2 GLN A 71 90.597 -4.333 -5.040 1.00 0.00 N ATOM 0 H GLN A 71 94.927 -1.629 -2.513 1.00 0.00 H new ATOM 0 HA GLN A 71 94.088 -1.104 -5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 71 95.013 -3.246 -4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.967 -3.505 -3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 71 92.734 -3.183 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 71 93.432 -4.724 -5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 71 90.571 -4.244 -6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 71 89.746 -4.560 -4.526 1.00 0.00 H new ATOM 1115 N ASP A 72 91.579 -1.683 -3.024 1.00 0.00 N ATOM 1116 CA ASP A 72 90.135 -1.546 -2.877 1.00 0.00 C ATOM 1117 C ASP A 72 89.623 -0.196 -3.363 1.00 0.00 C ATOM 1118 O ASP A 72 88.510 -0.122 -3.885 1.00 0.00 O ATOM 1119 CB ASP A 72 89.745 -1.733 -1.410 1.00 0.00 C ATOM 1120 CG ASP A 72 88.247 -2.000 -1.292 1.00 0.00 C ATOM 1121 OD1 ASP A 72 87.799 -2.998 -1.833 1.00 0.00 O ATOM 1122 OD2 ASP A 72 87.572 -1.206 -0.659 1.00 0.00 O1- ATOM 0 H ASP A 72 92.056 -2.058 -2.204 1.00 0.00 H new ATOM 0 HA ASP A 72 89.676 -2.316 -3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.305 -2.564 -0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 72 90.009 -0.842 -0.840 1.00 0.00 H new ATOM 1127 N SER A 73 90.398 0.877 -3.192 1.00 0.00 N ATOM 1128 CA SER A 73 89.939 2.194 -3.634 1.00 0.00 C ATOM 1129 C SER A 73 89.278 2.097 -5.005 1.00 0.00 C ATOM 1130 O SER A 73 89.942 1.867 -6.015 1.00 0.00 O ATOM 1131 CB SER A 73 91.111 3.174 -3.701 1.00 0.00 C ATOM 1132 OG SER A 73 91.783 3.185 -2.449 1.00 0.00 O ATOM 0 H SER A 73 91.323 0.863 -2.762 1.00 0.00 H new ATOM 0 HA SER A 73 89.209 2.558 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.799 2.882 -4.494 1.00 0.00 H new ATOM 0 HB3 SER A 73 90.751 4.174 -3.943 1.00 0.00 H new ATOM 0 HG SER A 73 92.489 2.506 -2.451 1.00 0.00 H new ATOM 1138 N CYS A 74 87.964 2.273 -5.018 1.00 0.00 N ATOM 1139 CA CYS A 74 87.199 2.205 -6.256 1.00 0.00 C ATOM 1140 C CYS A 74 85.914 3.012 -6.126 1.00 0.00 C ATOM 1141 O CYS A 74 85.876 4.034 -5.440 1.00 0.00 O ATOM 1142 CB CYS A 74 86.860 0.747 -6.590 1.00 0.00 C ATOM 1143 SG CYS A 74 88.370 -0.252 -6.567 1.00 0.00 S ATOM 0 H CYS A 74 87.406 2.464 -4.186 1.00 0.00 H new ATOM 0 HA CYS A 74 87.804 2.624 -7.060 1.00 0.00 H new ATOM 0 HB2 CYS A 74 86.143 0.356 -5.868 1.00 0.00 H new ATOM 0 HB3 CYS A 74 86.389 0.689 -7.571 1.00 0.00 H new ATOM 0 HG CYS A 74 89.405 0.524 -6.696 1.00 0.00 H new ATOM 1149 N ARG A 75 84.866 2.563 -6.809 1.00 0.00 N ATOM 1150 CA ARG A 75 83.578 3.254 -6.792 1.00 0.00 C ATOM 1151 C ARG A 75 82.541 2.489 -5.969 1.00 0.00 C ATOM 1152 O ARG A 75 82.388 1.278 -6.117 1.00 0.00 O ATOM 1153 CB ARG A 75 83.088 3.389 -8.236 1.00 0.00 C ATOM 1154 CG ARG A 75 81.670 3.966 -8.279 1.00 0.00 C ATOM 1155 CD ARG A 75 81.245 4.107 -9.734 1.00 0.00 C ATOM 1156 NE ARG A 75 79.950 4.768 -9.825 1.00 0.00 N ATOM 1157 CZ ARG A 75 79.224 4.699 -10.932 1.00 0.00 C ATOM 1158 NH1 ARG A 75 79.807 4.490 -12.081 1.00 0.00 N ATOM 1159 NH2 ARG A 75 77.929 4.835 -10.872 1.00 0.00 N1+ ATOM 0 H ARG A 75 84.882 1.721 -7.384 1.00 0.00 H new ATOM 0 HA ARG A 75 83.708 4.233 -6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 75 83.765 4.035 -8.795 1.00 0.00 H new ATOM 0 HB3 ARG A 75 83.103 2.414 -8.722 1.00 0.00 H new ATOM 0 HG2 ARG A 75 80.980 3.313 -7.745 1.00 0.00 H new ATOM 0 HG3 ARG A 75 81.641 4.935 -7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 75 81.992 4.680 -10.283 1.00 0.00 H new ATOM 0 HD3 ARG A 75 81.191 3.123 -10.200 1.00 0.00 H new ATOM 0 HE ARG A 75 79.596 5.292 -9.025 1.00 0.00 H new ATOM 0 HH11 ARG A 75 80.820 4.380 -12.126 1.00 0.00 H new ATOM 0 HH12 ARG A 75 79.250 4.437 -12.934 1.00 0.00 H new ATOM 0 HH21 ARG A 75 77.474 4.995 -9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 75 77.371 4.782 -11.724 1.00 0.00 H new ATOM 1173 N VAL A 76 81.807 3.218 -5.123 1.00 0.00 N ATOM 1174 CA VAL A 76 80.753 2.616 -4.300 1.00 0.00 C ATOM 1175 C VAL A 76 79.415 3.252 -4.675 1.00 0.00 C ATOM 1176 O VAL A 76 79.295 4.477 -4.685 1.00 0.00 O ATOM 1177 CB VAL A 76 81.037 2.869 -2.814 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.851 2.393 -1.970 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.300 2.114 -2.392 1.00 0.00 C ATOM 0 H VAL A 76 81.922 4.223 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 76 80.722 1.541 -4.476 1.00 0.00 H new ATOM 0 HB VAL A 76 81.185 3.937 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 76 80.058 2.575 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.954 2.938 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.695 1.326 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.497 2.297 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.157 1.046 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 76 83.146 2.461 -2.985 1.00 0.00 H new ATOM 1189 N THR A 77 78.405 2.432 -4.985 1.00 0.00 N ATOM 1190 CA THR A 77 77.094 2.978 -5.359 1.00 0.00 C ATOM 1191 C THR A 77 75.952 2.074 -4.905 1.00 0.00 C ATOM 1192 O THR A 77 76.084 0.852 -4.853 1.00 0.00 O ATOM 1193 CB THR A 77 77.016 3.168 -6.877 1.00 0.00 C ATOM 1194 OG1 THR A 77 75.696 3.553 -7.236 1.00 0.00 O ATOM 1195 CG2 THR A 77 77.375 1.860 -7.579 1.00 0.00 C ATOM 0 H THR A 77 78.465 1.414 -4.986 1.00 0.00 H new ATOM 0 HA THR A 77 76.987 3.940 -4.857 1.00 0.00 H new ATOM 0 HB THR A 77 77.719 3.944 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 77 75.672 4.517 -7.408 1.00 0.00 H new ATOM 0 HG21 THR A 77 77.318 1.999 -8.659 1.00 0.00 H new ATOM 0 HG22 THR A 77 78.388 1.565 -7.304 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.675 1.081 -7.276 1.00 0.00 H new ATOM 1203 N PHE A 78 74.825 2.709 -4.583 1.00 0.00 N ATOM 1204 CA PHE A 78 73.624 2.008 -4.131 1.00 0.00 C ATOM 1205 C PHE A 78 72.405 2.612 -4.837 1.00 0.00 C ATOM 1206 O PHE A 78 72.192 3.824 -4.785 1.00 0.00 O ATOM 1207 CB PHE A 78 73.525 2.153 -2.607 1.00 0.00 C ATOM 1208 CG PHE A 78 72.123 1.881 -2.105 1.00 0.00 C ATOM 1209 CD1 PHE A 78 71.346 0.854 -2.656 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.608 2.665 -1.067 1.00 0.00 C ATOM 1211 CE1 PHE A 78 70.056 0.616 -2.168 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.324 2.427 -0.579 1.00 0.00 C ATOM 1213 CZ PHE A 78 69.545 1.402 -1.129 1.00 0.00 C ATOM 0 H PHE A 78 74.719 3.723 -4.628 1.00 0.00 H new ATOM 0 HA PHE A 78 73.666 0.947 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.222 1.463 -2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.825 3.160 -2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 78 71.742 0.247 -3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 78 72.207 3.457 -0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.455 -0.174 -2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.930 3.033 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.550 1.218 -0.752 1.00 0.00 H new ATOM 1223 N LEU A 79 71.634 1.770 -5.535 1.00 0.00 N ATOM 1224 CA LEU A 79 70.469 2.248 -6.296 1.00 0.00 C ATOM 1225 C LEU A 79 69.164 1.546 -5.902 1.00 0.00 C ATOM 1226 O LEU A 79 68.890 0.427 -6.334 1.00 0.00 O ATOM 1227 CB LEU A 79 70.757 2.019 -7.791 1.00 0.00 C ATOM 1228 CG LEU A 79 69.491 2.202 -8.645 1.00 0.00 C ATOM 1229 CD1 LEU A 79 68.807 3.532 -8.305 1.00 0.00 C ATOM 1230 CD2 LEU A 79 69.889 2.196 -10.125 1.00 0.00 C ATOM 0 H LEU A 79 71.792 0.764 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 79 70.324 3.305 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.526 2.716 -8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 79 71.153 1.014 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 79 68.795 1.389 -8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 79 67.913 3.648 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 79 68.529 3.539 -7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.493 4.355 -8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.999 2.325 -10.742 1.00 0.00 H new ATOM 0 HD22 LEU A 79 70.586 3.012 -10.318 1.00 0.00 H new ATOM 0 HD23 LEU A 79 70.365 1.247 -10.370 1.00 0.00 H new ATOM 1242 N ALA A 80 68.351 2.240 -5.099 1.00 0.00 N ATOM 1243 CA ALA A 80 67.048 1.720 -4.669 1.00 0.00 C ATOM 1244 C ALA A 80 65.939 2.582 -5.275 1.00 0.00 C ATOM 1245 O ALA A 80 65.729 3.719 -4.852 1.00 0.00 O ATOM 1246 CB ALA A 80 66.949 1.748 -3.135 1.00 0.00 C ATOM 0 H ALA A 80 68.573 3.166 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 80 66.939 0.690 -5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 80 65.978 1.360 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 80 67.739 1.130 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.059 2.773 -2.782 1.00 0.00 H new ATOM 1252 N GLY A 81 65.236 2.043 -6.267 1.00 0.00 N ATOM 1253 CA GLY A 81 64.160 2.790 -6.912 1.00 0.00 C ATOM 1254 C GLY A 81 64.713 4.023 -7.621 1.00 0.00 C ATOM 1255 O GLY A 81 65.918 4.124 -7.853 1.00 0.00 O ATOM 0 H GLY A 81 65.388 1.105 -6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 81 63.646 2.151 -7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.423 3.092 -6.168 1.00 0.00 H new ATOM 1259 N ASP A 82 63.827 4.945 -7.994 1.00 0.00 N ATOM 1260 CA ASP A 82 64.227 6.160 -8.708 1.00 0.00 C ATOM 1261 C ASP A 82 65.212 7.025 -7.909 1.00 0.00 C ATOM 1262 O ASP A 82 65.271 8.238 -8.111 1.00 0.00 O ATOM 1263 CB ASP A 82 62.977 6.993 -9.012 1.00 0.00 C ATOM 1264 CG ASP A 82 63.322 8.117 -9.982 1.00 0.00 C ATOM 1265 OD1 ASP A 82 64.483 8.227 -10.343 1.00 0.00 O ATOM 1266 OD2 ASP A 82 62.421 8.855 -10.346 1.00 0.00 O1- ATOM 0 H ASP A 82 62.825 4.875 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 82 64.732 5.847 -9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.202 6.357 -9.440 1.00 0.00 H new ATOM 0 HB3 ASP A 82 62.574 7.409 -8.089 1.00 0.00 H new ATOM 1271 N MET A 83 65.992 6.411 -7.016 1.00 0.00 N ATOM 1272 CA MET A 83 66.976 7.150 -6.216 1.00 0.00 C ATOM 1273 C MET A 83 68.370 6.579 -6.449 1.00 0.00 C ATOM 1274 O MET A 83 68.591 5.384 -6.255 1.00 0.00 O ATOM 1275 CB MET A 83 66.629 7.032 -4.731 1.00 0.00 C ATOM 1276 CG MET A 83 65.290 7.724 -4.460 1.00 0.00 C ATOM 1277 SD MET A 83 64.936 7.684 -2.684 1.00 0.00 S ATOM 1278 CE MET A 83 64.590 5.912 -2.540 1.00 0.00 C ATOM 0 H MET A 83 65.963 5.409 -6.828 1.00 0.00 H new ATOM 0 HA MET A 83 66.957 8.198 -6.515 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.572 5.982 -4.443 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.414 7.487 -4.126 1.00 0.00 H new ATOM 0 HG2 MET A 83 65.324 8.755 -4.811 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.493 7.225 -5.012 1.00 0.00 H new ATOM 0 HE1 MET A 83 63.956 5.734 -1.671 1.00 0.00 H new ATOM 0 HE2 MET A 83 64.079 5.567 -3.439 1.00 0.00 H new ATOM 0 HE3 MET A 83 65.527 5.367 -2.423 1.00 0.00 H new ATOM 1288 N VAL A 84 69.312 7.427 -6.870 1.00 0.00 N ATOM 1289 CA VAL A 84 70.684 6.977 -7.132 1.00 0.00 C ATOM 1290 C VAL A 84 71.680 7.792 -6.312 1.00 0.00 C ATOM 1291 O VAL A 84 71.661 9.023 -6.326 1.00 0.00 O ATOM 1292 CB VAL A 84 71.000 7.131 -8.627 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.685 8.559 -9.079 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.482 6.833 -8.880 1.00 0.00 C ATOM 0 H VAL A 84 69.153 8.421 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 84 70.769 5.929 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 84 70.388 6.428 -9.192 1.00 0.00 H new ATOM 0 HG11 VAL A 84 70.911 8.663 -10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.629 8.769 -8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 84 71.291 9.263 -8.508 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.699 6.944 -9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 84 73.096 7.530 -8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.706 5.813 -8.569 1.00 0.00 H new ATOM 1304 N THR A 85 72.554 7.086 -5.599 1.00 0.00 N ATOM 1305 CA THR A 85 73.575 7.723 -4.766 1.00 0.00 C ATOM 1306 C THR A 85 74.935 7.097 -5.080 1.00 0.00 C ATOM 1307 O THR A 85 75.037 5.880 -5.231 1.00 0.00 O ATOM 1308 CB THR A 85 73.227 7.521 -3.280 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.820 6.316 -2.824 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.705 7.425 -3.119 1.00 0.00 C ATOM 0 H THR A 85 72.577 6.066 -5.581 1.00 0.00 H new ATOM 0 HA THR A 85 73.613 8.792 -4.975 1.00 0.00 H new ATOM 0 HB THR A 85 73.603 8.363 -2.699 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.364 6.015 -2.010 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.459 7.282 -2.067 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.242 8.344 -3.478 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.331 6.580 -3.697 1.00 0.00 H new ATOM 1318 N SER A 86 75.975 7.922 -5.197 1.00 0.00 N ATOM 1319 CA SER A 86 77.311 7.408 -5.511 1.00 0.00 C ATOM 1320 C SER A 86 78.394 8.344 -4.983 1.00 0.00 C ATOM 1321 O SER A 86 78.241 9.566 -5.017 1.00 0.00 O ATOM 1322 CB SER A 86 77.460 7.259 -7.026 1.00 0.00 C ATOM 1323 OG SER A 86 76.712 6.131 -7.463 1.00 0.00 O ATOM 0 H SER A 86 75.923 8.934 -5.082 1.00 0.00 H new ATOM 0 HA SER A 86 77.428 6.437 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 86 77.108 8.160 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 86 78.511 7.137 -7.289 1.00 0.00 H new ATOM 0 HG SER A 86 76.672 6.125 -8.442 1.00 0.00 H new ATOM 1329 N ALA A 87 79.486 7.765 -4.478 1.00 0.00 N ATOM 1330 CA ALA A 87 80.584 8.561 -3.929 1.00 0.00 C ATOM 1331 C ALA A 87 81.926 7.863 -4.131 1.00 0.00 C ATOM 1332 O ALA A 87 81.986 6.654 -4.363 1.00 0.00 O ATOM 1333 CB ALA A 87 80.356 8.802 -2.437 1.00 0.00 C ATOM 0 H ALA A 87 79.632 6.756 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 87 80.607 9.514 -4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.177 9.395 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.417 9.338 -2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.311 7.845 -1.917 1.00 0.00 H new ATOM 1339 N PHE A 88 83.000 8.648 -4.060 1.00 0.00 N ATOM 1340 CA PHE A 88 84.347 8.122 -4.255 1.00 0.00 C ATOM 1341 C PHE A 88 84.878 7.424 -3.003 1.00 0.00 C ATOM 1342 O PHE A 88 84.396 7.643 -1.885 1.00 0.00 O ATOM 1343 CB PHE A 88 85.298 9.259 -4.635 1.00 0.00 C ATOM 1344 CG PHE A 88 84.859 9.868 -5.946 1.00 0.00 C ATOM 1345 CD1 PHE A 88 85.051 9.167 -7.142 1.00 0.00 C ATOM 1346 CD2 PHE A 88 84.260 11.135 -5.966 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.643 9.731 -8.357 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.854 11.697 -7.182 1.00 0.00 C ATOM 1349 CZ PHE A 88 84.045 10.996 -8.378 1.00 0.00 C ATOM 0 H PHE A 88 82.962 9.649 -3.869 1.00 0.00 H new ATOM 0 HA PHE A 88 84.295 7.386 -5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.304 10.019 -3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.317 8.881 -4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.514 8.191 -7.128 1.00 0.00 H new ATOM 0 HD2 PHE A 88 84.112 11.677 -5.044 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.790 9.189 -9.279 1.00 0.00 H new ATOM 0 HE2 PHE A 88 83.393 12.673 -7.197 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.731 11.431 -9.316 1.00 0.00 H new ATOM 1359 N LEU A 89 85.911 6.610 -3.215 1.00 0.00 N ATOM 1360 CA LEU A 89 86.579 5.877 -2.140 1.00 0.00 C ATOM 1361 C LEU A 89 88.073 6.176 -2.199 1.00 0.00 C ATOM 1362 O LEU A 89 88.659 6.212 -3.280 1.00 0.00 O ATOM 1363 CB LEU A 89 86.341 4.370 -2.302 1.00 0.00 C ATOM 1364 CG LEU A 89 87.057 3.584 -1.192 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.545 4.019 0.191 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.789 2.089 -1.392 1.00 0.00 C ATOM 0 H LEU A 89 86.309 6.440 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 89 86.176 6.189 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.272 4.160 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.702 4.043 -3.277 1.00 0.00 H new ATOM 0 HG LEU A 89 88.127 3.784 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.062 3.453 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.735 5.083 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.474 3.830 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.293 1.521 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.716 1.902 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 89 87.167 1.779 -2.366 1.00 0.00 H new ATOM 1378 N THR A 90 88.692 6.392 -1.040 1.00 0.00 N ATOM 1379 CA THR A 90 90.126 6.685 -0.992 1.00 0.00 C ATOM 1380 C THR A 90 90.805 5.895 0.120 1.00 0.00 C ATOM 1381 O THR A 90 90.453 6.030 1.291 1.00 0.00 O ATOM 1382 CB THR A 90 90.341 8.182 -0.749 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.718 8.925 -1.789 1.00 0.00 O ATOM 1384 CG2 THR A 90 91.839 8.490 -0.730 1.00 0.00 C ATOM 0 H THR A 90 88.231 6.371 -0.130 1.00 0.00 H new ATOM 0 HA THR A 90 90.565 6.396 -1.947 1.00 0.00 H new ATOM 0 HB THR A 90 89.903 8.459 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 90 89.854 9.883 -1.633 1.00 0.00 H new ATOM 0 HG21 THR A 90 91.989 9.556 -0.557 1.00 0.00 H new ATOM 0 HG22 THR A 90 92.317 7.922 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 90 92.280 8.212 -1.687 1.00 0.00 H new ATOM 1392 N VAL A 91 91.806 5.096 -0.248 1.00 0.00 N ATOM 1393 CA VAL A 91 92.558 4.318 0.737 1.00 0.00 C ATOM 1394 C VAL A 91 94.042 4.369 0.401 1.00 0.00 C ATOM 1395 O VAL A 91 94.439 4.048 -0.719 1.00 0.00 O ATOM 1396 CB VAL A 91 92.080 2.863 0.743 1.00 0.00 C ATOM 1397 CG1 VAL A 91 92.800 2.091 1.852 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.571 2.823 0.993 1.00 0.00 C ATOM 0 H VAL A 91 92.113 4.971 -1.212 1.00 0.00 H new ATOM 0 HA VAL A 91 92.393 4.746 1.726 1.00 0.00 H new ATOM 0 HB VAL A 91 92.302 2.405 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.459 1.056 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 91 93.875 2.118 1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.579 2.549 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.230 1.788 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.350 3.282 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.057 3.371 0.203 1.00 0.00 H new ATOM 1408 N ARG A 92 94.859 4.805 1.364 1.00 0.00 N ATOM 1409 CA ARG A 92 96.308 4.929 1.147 1.00 0.00 C ATOM 1410 C ARG A 92 97.081 4.100 2.174 1.00 0.00 C ATOM 1411 O ARG A 92 96.566 3.784 3.245 1.00 0.00 O ATOM 1412 CB ARG A 92 96.697 6.415 1.248 1.00 0.00 C ATOM 1413 CG ARG A 92 98.197 6.628 0.978 1.00 0.00 C ATOM 1414 CD ARG A 92 98.551 6.196 -0.450 1.00 0.00 C ATOM 1415 NE ARG A 92 99.834 6.771 -0.851 1.00 0.00 N ATOM 1416 CZ ARG A 92 100.614 6.162 -1.741 1.00 0.00 C ATOM 1417 NH1 ARG A 92 100.931 4.905 -1.578 1.00 0.00 N ATOM 1418 NH2 ARG A 92 101.057 6.817 -2.779 1.00 0.00 N1+ ATOM 0 H ARG A 92 94.547 5.077 2.296 1.00 0.00 H new ATOM 0 HA ARG A 92 96.562 4.550 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.112 6.994 0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 92 96.449 6.790 2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 92 98.453 7.678 1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 92 98.787 6.056 1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 92 98.599 5.109 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 92 97.770 6.517 -1.139 1.00 0.00 H new ATOM 0 HE ARG A 92 100.137 7.655 -0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 92 100.581 4.391 -0.769 1.00 0.00 H new ATOM 0 HH12 ARG A 92 101.529 4.437 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 92 100.806 7.797 -2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 92 101.655 6.349 -3.460 1.00 0.00 H new ATOM 1432 N GLY A 93 98.326 3.756 1.835 1.00 0.00 N ATOM 1433 CA GLY A 93 99.179 2.966 2.728 1.00 0.00 C ATOM 1434 C GLY A 93 100.187 3.848 3.458 1.00 0.00 C ATOM 1435 O GLY A 93 100.965 4.567 2.831 1.00 0.00 O ATOM 0 H GLY A 93 98.766 4.011 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 93 98.560 2.440 3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 93 99.708 2.207 2.151 1.00 0.00 H new ATOM 1439 N GLY A 94 100.173 3.779 4.789 1.00 0.00 N ATOM 1440 CA GLY A 94 101.097 4.567 5.607 1.00 0.00 C ATOM 1441 C GLY A 94 102.365 3.772 5.904 1.00 0.00 C ATOM 1442 O GLY A 94 102.398 2.553 5.739 1.00 0.00 O ATOM 0 H GLY A 94 99.535 3.188 5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 94 101.354 5.490 5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 94 100.612 4.851 6.541 1.00 0.00 H new ATOM 1446 N LEU A 95 103.412 4.472 6.348 1.00 0.00 N ATOM 1447 CA LEU A 95 104.688 3.825 6.670 1.00 0.00 C ATOM 1448 C LEU A 95 105.186 4.292 8.034 1.00 0.00 C ATOM 1449 O LEU A 95 105.214 3.521 8.994 1.00 0.00 O ATOM 1450 CB LEU A 95 105.740 4.160 5.602 1.00 0.00 C ATOM 1451 CG LEU A 95 105.281 3.654 4.210 1.00 0.00 C ATOM 1452 CD1 LEU A 95 104.515 4.757 3.468 1.00 0.00 C ATOM 1453 CD2 LEU A 95 106.505 3.255 3.373 1.00 0.00 C ATOM 0 H LEU A 95 103.403 5.482 6.492 1.00 0.00 H new ATOM 0 HA LEU A 95 104.530 2.747 6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 95 105.902 5.237 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 95 106.693 3.702 5.866 1.00 0.00 H new ATOM 0 HG LEU A 95 104.629 2.792 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 95 104.199 4.387 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 95 103.638 5.045 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 95 105.163 5.624 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 95 106.178 2.900 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 95 107.156 4.120 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 95 107.051 2.461 3.883 1.00 0.00 H new ATOM 1465 N GLU A 96 105.578 5.563 8.113 1.00 0.00 N ATOM 1466 CA GLU A 96 106.075 6.139 9.364 1.00 0.00 C ATOM 1467 C GLU A 96 105.523 7.548 9.547 1.00 0.00 C ATOM 1468 O GLU A 96 104.474 7.742 10.163 1.00 0.00 O ATOM 1469 CB GLU A 96 107.605 6.195 9.347 1.00 0.00 C ATOM 1470 CG GLU A 96 108.172 4.775 9.313 1.00 0.00 C ATOM 1471 CD GLU A 96 109.698 4.823 9.288 1.00 0.00 C ATOM 1472 OE1 GLU A 96 110.237 5.916 9.342 1.00 0.00 O1- ATOM 1473 OE2 GLU A 96 110.303 3.766 9.217 1.00 0.00 O ATOM 0 H GLU A 96 105.562 6.213 7.327 1.00 0.00 H new ATOM 0 HA GLU A 96 105.745 5.510 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 96 107.948 6.755 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 96 107.969 6.721 10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 96 107.832 4.218 10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 96 107.802 4.248 8.434 1.00 0.00 H new ATOM 1480 N HIS A 97 106.237 8.530 9.001 1.00 0.00 N ATOM 1481 CA HIS A 97 105.818 9.927 9.094 1.00 0.00 C ATOM 1482 C HIS A 97 106.287 10.699 7.867 1.00 0.00 C ATOM 1483 O HIS A 97 107.416 10.524 7.408 1.00 0.00 O ATOM 1484 CB HIS A 97 106.408 10.562 10.356 1.00 0.00 C ATOM 1485 CG HIS A 97 105.769 11.902 10.588 1.00 0.00 C ATOM 1486 ND1 HIS A 97 106.318 13.076 10.099 1.00 0.00 N ATOM 1487 CD2 HIS A 97 104.627 12.272 11.256 1.00 0.00 C ATOM 1488 CE1 HIS A 97 105.515 14.088 10.475 1.00 0.00 C ATOM 1489 NE2 HIS A 97 104.469 13.652 11.184 1.00 0.00 N ATOM 0 H HIS A 97 107.108 8.385 8.490 1.00 0.00 H new ATOM 0 HA HIS A 97 104.730 9.965 9.144 1.00 0.00 H new ATOM 0 HB2 HIS A 97 106.239 9.913 11.215 1.00 0.00 H new ATOM 0 HB3 HIS A 97 107.487 10.675 10.249 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.954 11.594 11.760 1.00 0.00 H new ATOM 0 HE1 HIS A 97 105.694 15.125 10.234 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.717 14.211 11.586 1.00 0.00 H new ATOM 1497 N HIS A 98 105.414 11.551 7.329 1.00 0.00 N ATOM 1498 CA HIS A 98 105.751 12.342 6.144 1.00 0.00 C ATOM 1499 C HIS A 98 105.279 13.785 6.304 1.00 0.00 C ATOM 1500 O HIS A 98 104.097 14.037 6.541 1.00 0.00 O ATOM 1501 CB HIS A 98 105.092 11.720 4.912 1.00 0.00 C ATOM 1502 CG HIS A 98 105.443 10.259 4.850 1.00 0.00 C ATOM 1503 ND1 HIS A 98 106.709 9.815 4.499 1.00 0.00 N ATOM 1504 CD2 HIS A 98 104.707 9.128 5.105 1.00 0.00 C ATOM 1505 CE1 HIS A 98 106.697 8.470 4.553 1.00 0.00 C ATOM 1506 NE2 HIS A 98 105.501 8.000 4.918 1.00 0.00 N ATOM 0 H HIS A 98 104.474 11.711 7.692 1.00 0.00 H new ATOM 0 HA HIS A 98 106.834 12.344 6.023 1.00 0.00 H new ATOM 0 HB2 HIS A 98 104.010 11.845 4.961 1.00 0.00 H new ATOM 0 HB3 HIS A 98 105.431 12.227 4.008 1.00 0.00 H new ATOM 0 HD1 HIS A 98 107.505 10.401 4.246 1.00 0.00 H new ATOM 0 HD2 HIS A 98 103.670 9.116 5.405 1.00 0.00 H new ATOM 0 HE1 HIS A 98 107.550 7.847 4.329 1.00 0.00 H new ATOM 1514 N HIS A 99 106.212 14.728 6.173 1.00 0.00 N ATOM 1515 CA HIS A 99 105.892 16.151 6.300 1.00 0.00 C ATOM 1516 C HIS A 99 105.684 16.780 4.925 1.00 0.00 C ATOM 1517 O HIS A 99 106.480 16.572 4.010 1.00 0.00 O ATOM 1518 CB HIS A 99 107.026 16.874 7.028 1.00 0.00 C ATOM 1519 CG HIS A 99 108.287 16.771 6.218 1.00 0.00 C ATOM 1520 ND1 HIS A 99 108.568 17.634 5.171 1.00 0.00 N ATOM 1521 CD2 HIS A 99 109.355 15.911 6.292 1.00 0.00 C ATOM 1522 CE1 HIS A 99 109.761 17.279 4.663 1.00 0.00 C ATOM 1523 NE2 HIS A 99 110.285 16.233 5.309 1.00 0.00 N ATOM 0 H HIS A 99 107.194 14.533 5.979 1.00 0.00 H new ATOM 0 HA HIS A 99 104.970 16.248 6.873 1.00 0.00 H new ATOM 0 HB2 HIS A 99 106.764 17.921 7.182 1.00 0.00 H new ATOM 0 HB3 HIS A 99 107.178 16.435 8.014 1.00 0.00 H new ATOM 0 HD2 HIS A 99 109.457 15.107 7.005 1.00 0.00 H new ATOM 0 HE1 HIS A 99 110.238 17.779 3.833 1.00 0.00 H new ATOM 0 HE2 HIS A 99 111.175 15.771 5.122 1.00 0.00 H new ATOM 1531 N HIS A 100 104.600 17.541 4.785 1.00 0.00 N ATOM 1532 CA HIS A 100 104.282 18.189 3.513 1.00 0.00 C ATOM 1533 C HIS A 100 104.952 19.557 3.410 1.00 0.00 C ATOM 1534 O HIS A 100 104.551 20.508 4.080 1.00 0.00 O ATOM 1535 CB HIS A 100 102.768 18.362 3.387 1.00 0.00 C ATOM 1536 CG HIS A 100 102.228 18.966 4.655 1.00 0.00 C ATOM 1537 ND1 HIS A 100 102.081 20.336 4.816 1.00 0.00 N ATOM 1538 CD2 HIS A 100 101.798 18.402 5.831 1.00 0.00 C ATOM 1539 CE1 HIS A 100 101.582 20.549 6.047 1.00 0.00 C ATOM 1540 NE2 HIS A 100 101.391 19.403 6.709 1.00 0.00 N ATOM 0 H HIS A 100 103.930 17.724 5.532 1.00 0.00 H new ATOM 0 HA HIS A 100 104.655 17.556 2.708 1.00 0.00 H new ATOM 0 HB2 HIS A 100 102.533 19.003 2.537 1.00 0.00 H new ATOM 0 HB3 HIS A 100 102.295 17.398 3.200 1.00 0.00 H new ATOM 0 HD1 HIS A 100 102.310 21.052 4.126 1.00 0.00 H new ATOM 0 HD2 HIS A 100 101.779 17.343 6.043 1.00 0.00 H new ATOM 0 HE1 HIS A 100 101.362 21.526 6.451 1.00 0.00 H new ATOM 1548 N HIS A 101 105.978 19.646 2.568 1.00 0.00 N ATOM 1549 CA HIS A 101 106.701 20.901 2.387 1.00 0.00 C ATOM 1550 C HIS A 101 107.119 21.471 3.738 1.00 0.00 C ATOM 1551 O HIS A 101 106.320 22.095 4.437 1.00 0.00 O ATOM 1552 CB HIS A 101 105.815 21.913 1.655 1.00 0.00 C ATOM 1553 CG HIS A 101 106.592 23.178 1.407 1.00 0.00 C ATOM 1554 ND1 HIS A 101 106.646 24.208 2.334 1.00 0.00 N ATOM 1555 CD2 HIS A 101 107.350 23.594 0.340 1.00 0.00 C ATOM 1556 CE1 HIS A 101 107.412 25.184 1.812 1.00 0.00 C ATOM 1557 NE2 HIS A 101 107.867 24.861 0.598 1.00 0.00 N ATOM 0 H HIS A 101 106.325 18.870 2.004 1.00 0.00 H new ATOM 0 HA HIS A 101 107.594 20.706 1.793 1.00 0.00 H new ATOM 0 HB2 HIS A 101 105.472 21.494 0.709 1.00 0.00 H new ATOM 0 HB3 HIS A 101 104.927 22.130 2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 101 107.519 23.025 -0.562 1.00 0.00 H new ATOM 0 HE1 HIS A 101 107.632 26.115 2.313 1.00 0.00 H new ATOM 0 HE2 HIS A 101 108.465 25.422 -0.009 1.00 0.00 H new ATOM 1565 N HIS A 102 108.383 21.248 4.100 1.00 0.00 N ATOM 1566 CA HIS A 102 108.920 21.733 5.375 1.00 0.00 C ATOM 1567 C HIS A 102 110.019 22.763 5.133 1.00 0.00 C ATOM 1568 O HIS A 102 111.095 22.366 4.718 1.00 0.00 O ATOM 1569 CB HIS A 102 109.491 20.559 6.173 1.00 0.00 C ATOM 1570 CG HIS A 102 109.971 21.046 7.512 1.00 0.00 C ATOM 1571 ND1 HIS A 102 109.096 21.488 8.493 1.00 0.00 N ATOM 1572 CD2 HIS A 102 111.228 21.161 8.052 1.00 0.00 C ATOM 1573 CE1 HIS A 102 109.832 21.845 9.561 1.00 0.00 C ATOM 1574 NE2 HIS A 102 111.138 21.666 9.345 1.00 0.00 N ATOM 1575 OXT HIS A 102 109.768 23.934 5.366 1.00 0.00 O ATOM 0 H HIS A 102 109.055 20.735 3.529 1.00 0.00 H new ATOM 0 HA HIS A 102 108.113 22.202 5.937 1.00 0.00 H new ATOM 0 HB2 HIS A 102 108.729 19.791 6.306 1.00 0.00 H new ATOM 0 HB3 HIS A 102 110.314 20.100 5.625 1.00 0.00 H new ATOM 0 HD2 HIS A 102 112.147 20.899 7.549 1.00 0.00 H new ATOM 0 HE1 HIS A 102 109.417 22.230 10.481 1.00 0.00 H new ATOM 0 HE2 HIS A 102 111.905 21.858 9.990 1.00 0.00 H new TER 1583 HIS A 102