USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=16 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 100 HIS : no HD1:sc= -1.28 K(o=-2.6,f=-1.7) USER MOD Set 1.2: A 101 HIS : no HD1:sc= -1.29 K(o=-2.6,f=-9!) USER MOD Set 2.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 5 THR OG1 : rot -25:sc= 0.128 USER MOD Single : A 1 THR N :NH3+ 156:sc= -0.356 (180deg=-1.11) USER MOD Single : A 1 THR OG1 : rot -69:sc= 1.12 USER MOD Single : A 4 ASN : amide:sc= -1.63 K(o=-1.6,f=-6.9!) USER MOD Single : A 12 ASN : amide:sc= -2.18! C(o=-2.2!,f=-3.9!) USER MOD Single : A 25 CYS SG : rot 24:sc= 0.354 USER MOD Single : A 26 GLN : amide:sc= -0.0424 K(o=-0.042,f=-1.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -4.16! C(o=-4.2!,f=-13!) USER MOD Single : A 35 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-6.3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -52:sc= 0.833! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.71 X(o=-0.71,f=-0.87) USER MOD Single : A 57 ASN : amide:sc=-0.00611 X(o=-0.0061,f=-0.0061) USER MOD Single : A 61 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-2.1!) USER MOD Single : A 66 LYS NZ :NH3+ -129:sc= -0.726 (180deg=-2.87!) USER MOD Single : A 67 ASN : amide:sc= -2.65! K(o=-2.6!,f=-1.5) USER MOD Single : A 71 GLN : amide:sc= -0.155 K(o=-0.15,f=-1) USER MOD Single : A 73 SER OG : rot -9:sc= 0.649 USER MOD Single : A 74 CYS SG : rot -82:sc= -0.107 USER MOD Single : A 77 THR OG1 : rot -140:sc= -0.399 USER MOD Single : A 83 MET CE :methyl -129:sc= -0.81 (180deg=-1.15) USER MOD Single : A 85 THR OG1 : rot -159:sc= -2.59 USER MOD Single : A 86 SER OG : rot 42:sc= 0.113 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-1.7) USER MOD Single : A 98 HIS : no HD1:sc= -0.312 K(o=-0.31,f=-1.1) USER MOD Single : A 99 HIS : no HD1:sc= -0.977 K(o=-0.98,f=-1.5) USER MOD Single : A 102 HIS : no HD1:sc= 0.376 K(o=0.38,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 55.970 0.591 -3.085 1.00 0.00 N ATOM 2 CA THR A 1 55.377 1.455 -4.147 1.00 0.00 C ATOM 3 C THR A 1 54.385 2.426 -3.517 1.00 0.00 C ATOM 4 O THR A 1 53.214 2.459 -3.893 1.00 0.00 O ATOM 5 CB THR A 1 54.659 0.577 -5.177 1.00 0.00 C ATOM 6 OG1 THR A 1 53.824 1.394 -5.986 1.00 0.00 O ATOM 7 CG2 THR A 1 53.806 -0.470 -4.458 1.00 0.00 C ATOM 0 H1 THR A 1 56.307 -0.297 -3.508 1.00 0.00 H new ATOM 0 H2 THR A 1 56.768 1.087 -2.639 1.00 0.00 H new ATOM 0 H3 THR A 1 55.249 0.380 -2.366 1.00 0.00 H new ATOM 0 HA THR A 1 56.167 2.019 -4.643 1.00 0.00 H new ATOM 0 HB THR A 1 55.396 0.072 -5.801 1.00 0.00 H new ATOM 0 HG1 THR A 1 53.074 1.727 -5.450 1.00 0.00 H new ATOM 0 HG21 THR A 1 53.297 -1.092 -5.194 1.00 0.00 H new ATOM 0 HG22 THR A 1 54.446 -1.095 -3.835 1.00 0.00 H new ATOM 0 HG23 THR A 1 53.067 0.030 -3.832 1.00 0.00 H new ATOM 17 N ALA A 2 54.860 3.217 -2.557 1.00 0.00 N ATOM 18 CA ALA A 2 54.005 4.191 -1.876 1.00 0.00 C ATOM 19 C ALA A 2 54.735 5.521 -1.716 1.00 0.00 C ATOM 20 O ALA A 2 54.159 6.584 -1.940 1.00 0.00 O ATOM 21 CB ALA A 2 53.600 3.653 -0.500 1.00 0.00 C ATOM 0 H ALA A 2 55.827 3.204 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 2 53.111 4.353 -2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.964 4.382 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 2 53.054 2.717 -0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 2 54.493 3.477 0.099 1.00 0.00 H new ATOM 27 N LYS A 3 56.003 5.455 -1.326 1.00 0.00 N ATOM 28 CA LYS A 3 56.795 6.666 -1.141 1.00 0.00 C ATOM 29 C LYS A 3 58.278 6.319 -1.110 1.00 0.00 C ATOM 30 O LYS A 3 58.714 5.521 -0.280 1.00 0.00 O ATOM 31 CB LYS A 3 56.390 7.351 0.177 1.00 0.00 C ATOM 32 CG LYS A 3 57.229 8.617 0.436 1.00 0.00 C ATOM 33 CD LYS A 3 56.934 9.688 -0.622 1.00 0.00 C ATOM 34 CE LYS A 3 57.488 11.036 -0.151 1.00 0.00 C ATOM 35 NZ LYS A 3 57.366 12.035 -1.249 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.501 4.586 -1.133 1.00 0.00 H new ATOM 0 HA LYS A 3 56.609 7.346 -1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.333 7.615 0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.517 6.653 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 3 57.008 9.009 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 3 58.290 8.366 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 3 57.387 9.409 -1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 3 55.860 9.763 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 3 56.942 11.378 0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 3 58.532 10.929 0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 57.742 12.950 -0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 57.905 11.709 -2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 56.365 12.144 -1.509 1.00 0.00 H new ATOM 49 N ASN A 4 59.060 6.934 -1.998 1.00 0.00 N ATOM 50 CA ASN A 4 60.499 6.694 -2.039 1.00 0.00 C ATOM 51 C ASN A 4 61.214 7.990 -2.368 1.00 0.00 C ATOM 52 O ASN A 4 61.041 8.546 -3.453 1.00 0.00 O ATOM 53 CB ASN A 4 60.842 5.629 -3.084 1.00 0.00 C ATOM 54 CG ASN A 4 60.509 6.139 -4.480 1.00 0.00 C ATOM 55 OD1 ASN A 4 59.566 6.912 -4.653 1.00 0.00 O ATOM 56 ND2 ASN A 4 61.237 5.755 -5.493 1.00 0.00 N ATOM 0 H ASN A 4 58.722 7.598 -2.694 1.00 0.00 H new ATOM 0 HA ASN A 4 60.824 6.332 -1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 4 61.901 5.377 -3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 4 60.284 4.715 -2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 4 61.026 6.095 -6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 4 62.017 5.115 -5.347 1.00 0.00 H new ATOM 63 N THR A 5 62.006 8.485 -1.422 1.00 0.00 N ATOM 64 CA THR A 5 62.718 9.743 -1.643 1.00 0.00 C ATOM 65 C THR A 5 63.966 9.837 -0.775 1.00 0.00 C ATOM 66 O THR A 5 63.878 9.996 0.440 1.00 0.00 O ATOM 67 CB THR A 5 61.778 10.905 -1.323 1.00 0.00 C ATOM 68 OG1 THR A 5 60.579 10.753 -2.071 1.00 0.00 O ATOM 69 CG2 THR A 5 62.441 12.234 -1.684 1.00 0.00 C ATOM 0 H THR A 5 62.170 8.048 -0.515 1.00 0.00 H new ATOM 0 HA THR A 5 63.034 9.786 -2.685 1.00 0.00 H new ATOM 0 HB THR A 5 61.553 10.902 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.760 10.223 -2.875 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.762 13.054 -1.452 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.360 12.350 -1.110 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.674 12.247 -2.749 1.00 0.00 H new ATOM 77 N VAL A 6 65.128 9.738 -1.411 1.00 0.00 N ATOM 78 CA VAL A 6 66.387 9.811 -0.682 1.00 0.00 C ATOM 79 C VAL A 6 66.566 11.187 -0.061 1.00 0.00 C ATOM 80 O VAL A 6 66.352 12.214 -0.706 1.00 0.00 O ATOM 81 CB VAL A 6 67.563 9.499 -1.611 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.741 10.633 -2.626 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.849 9.345 -0.790 1.00 0.00 C ATOM 0 H VAL A 6 65.224 9.608 -2.418 1.00 0.00 H new ATOM 0 HA VAL A 6 66.362 9.068 0.115 1.00 0.00 H new ATOM 0 HB VAL A 6 67.357 8.569 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.580 10.404 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.832 10.736 -3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.938 11.566 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.682 9.123 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 6 69.051 10.272 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.729 8.530 -0.076 1.00 0.00 H new ATOM 93 N VAL A 7 66.981 11.185 1.197 1.00 0.00 N ATOM 94 CA VAL A 7 67.222 12.415 1.939 1.00 0.00 C ATOM 95 C VAL A 7 68.711 12.715 1.926 1.00 0.00 C ATOM 96 O VAL A 7 69.131 13.861 1.765 1.00 0.00 O ATOM 97 CB VAL A 7 66.745 12.245 3.380 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.025 13.526 4.174 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.242 11.949 3.381 1.00 0.00 C ATOM 0 H VAL A 7 67.160 10.335 1.731 1.00 0.00 H new ATOM 0 HA VAL A 7 66.677 13.238 1.477 1.00 0.00 H new ATOM 0 HB VAL A 7 67.279 11.417 3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.683 13.400 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.096 13.729 4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.496 14.361 3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 7 64.896 11.827 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.708 12.777 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.051 11.033 2.822 1.00 0.00 H new ATOM 109 N ARG A 8 69.503 11.658 2.094 1.00 0.00 N ATOM 110 CA ARG A 8 70.950 11.765 2.104 1.00 0.00 C ATOM 111 C ARG A 8 71.551 10.649 1.263 1.00 0.00 C ATOM 112 O ARG A 8 71.254 9.472 1.469 1.00 0.00 O ATOM 113 CB ARG A 8 71.454 11.678 3.560 1.00 0.00 C ATOM 114 CG ARG A 8 72.841 11.022 3.622 1.00 0.00 C ATOM 115 CD ARG A 8 73.442 11.232 5.014 1.00 0.00 C ATOM 116 NE ARG A 8 73.730 12.646 5.233 1.00 0.00 N ATOM 117 CZ ARG A 8 74.003 13.114 6.448 1.00 0.00 C ATOM 118 NH1 ARG A 8 74.191 12.288 7.440 1.00 0.00 N ATOM 119 NH2 ARG A 8 74.083 14.401 6.648 1.00 0.00 N1+ ATOM 0 H ARG A 8 69.155 10.708 2.226 1.00 0.00 H new ATOM 0 HA ARG A 8 71.255 12.721 1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.500 12.677 3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 8 70.748 11.103 4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 8 72.761 9.957 3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.494 11.454 2.863 1.00 0.00 H new ATOM 0 HD2 ARG A 8 72.749 10.873 5.775 1.00 0.00 H new ATOM 0 HD3 ARG A 8 74.357 10.648 5.115 1.00 0.00 H new ATOM 0 HE ARG A 8 73.722 13.287 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 8 74.129 11.282 7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 8 74.400 12.648 8.371 1.00 0.00 H new ATOM 0 HH21 ARG A 8 73.936 15.048 5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 8 74.292 14.760 7.579 1.00 0.00 H new ATOM 133 N GLY A 9 72.421 11.023 0.339 1.00 0.00 N ATOM 134 CA GLY A 9 73.093 10.050 -0.502 1.00 0.00 C ATOM 135 C GLY A 9 74.433 9.684 0.123 1.00 0.00 C ATOM 136 O GLY A 9 74.720 10.066 1.257 1.00 0.00 O ATOM 0 H GLY A 9 72.677 11.993 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.475 9.159 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.244 10.459 -1.501 1.00 0.00 H new ATOM 140 N LEU A 10 75.251 8.953 -0.615 1.00 0.00 N ATOM 141 CA LEU A 10 76.554 8.551 -0.116 1.00 0.00 C ATOM 142 C LEU A 10 77.511 9.738 -0.122 1.00 0.00 C ATOM 143 O LEU A 10 77.217 10.773 -0.720 1.00 0.00 O ATOM 144 CB LEU A 10 77.090 7.410 -0.981 1.00 0.00 C ATOM 145 CG LEU A 10 76.157 6.186 -0.845 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.267 5.301 -2.089 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.566 5.349 0.369 1.00 0.00 C ATOM 0 H LEU A 10 75.037 8.627 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 10 76.463 8.203 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.147 7.724 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.101 7.147 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 10 75.135 6.547 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.606 4.441 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.979 5.874 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.295 4.956 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.903 4.488 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.593 5.005 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.494 5.957 1.271 1.00 0.00 H new ATOM 159 N GLU A 11 78.651 9.592 0.554 1.00 0.00 N ATOM 160 CA GLU A 11 79.641 10.670 0.631 1.00 0.00 C ATOM 161 C GLU A 11 81.055 10.104 0.557 1.00 0.00 C ATOM 162 O GLU A 11 81.256 8.898 0.695 1.00 0.00 O ATOM 163 CB GLU A 11 79.462 11.443 1.942 1.00 0.00 C ATOM 164 CG GLU A 11 79.697 10.508 3.136 1.00 0.00 C ATOM 165 CD GLU A 11 79.476 11.263 4.440 1.00 0.00 C ATOM 166 OE1 GLU A 11 79.311 12.470 4.381 1.00 0.00 O ATOM 167 OE2 GLU A 11 79.465 10.623 5.478 1.00 0.00 O1- ATOM 0 H GLU A 11 78.912 8.742 1.054 1.00 0.00 H new ATOM 0 HA GLU A 11 79.490 11.343 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.161 12.278 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.458 11.865 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.019 9.656 3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.712 10.111 3.103 1.00 0.00 H new ATOM 174 N ASN A 12 82.032 10.979 0.343 1.00 0.00 N ATOM 175 CA ASN A 12 83.422 10.542 0.261 1.00 0.00 C ATOM 176 C ASN A 12 83.839 9.883 1.569 1.00 0.00 C ATOM 177 O ASN A 12 83.401 10.291 2.645 1.00 0.00 O ATOM 178 CB ASN A 12 84.341 11.732 -0.040 1.00 0.00 C ATOM 179 CG ASN A 12 84.270 12.761 1.084 1.00 0.00 C ATOM 180 OD1 ASN A 12 83.547 12.568 2.061 1.00 0.00 O ATOM 181 ND2 ASN A 12 84.985 13.850 1.004 1.00 0.00 N ATOM 0 H ASN A 12 81.891 11.982 0.224 1.00 0.00 H new ATOM 0 HA ASN A 12 83.511 9.818 -0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.367 11.385 -0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 12 84.050 12.194 -0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 12 84.945 14.542 1.752 1.00 0.00 H new ATOM 0 HD22 ASN A 12 85.584 14.009 0.194 1.00 0.00 H new ATOM 188 N VAL A 13 84.698 8.867 1.475 1.00 0.00 N ATOM 189 CA VAL A 13 85.181 8.164 2.673 1.00 0.00 C ATOM 190 C VAL A 13 86.704 8.081 2.651 1.00 0.00 C ATOM 191 O VAL A 13 87.300 7.672 1.654 1.00 0.00 O ATOM 192 CB VAL A 13 84.560 6.758 2.746 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.256 5.921 3.830 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.072 6.888 3.091 1.00 0.00 C ATOM 0 H VAL A 13 85.072 8.513 0.595 1.00 0.00 H new ATOM 0 HA VAL A 13 84.879 8.720 3.560 1.00 0.00 H new ATOM 0 HB VAL A 13 84.684 6.263 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.805 4.929 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.316 5.829 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.141 6.410 4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.623 5.896 3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.964 7.388 4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.569 7.472 2.320 1.00 0.00 H new ATOM 204 N GLU A 14 87.328 8.477 3.763 1.00 0.00 N ATOM 205 CA GLU A 14 88.789 8.453 3.886 1.00 0.00 C ATOM 206 C GLU A 14 89.213 7.557 5.042 1.00 0.00 C ATOM 207 O GLU A 14 88.813 7.767 6.187 1.00 0.00 O ATOM 208 CB GLU A 14 89.313 9.876 4.110 1.00 0.00 C ATOM 209 CG GLU A 14 90.841 9.855 4.235 1.00 0.00 C ATOM 210 CD GLU A 14 91.378 11.277 4.333 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.625 12.195 4.052 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 92.535 11.429 4.692 1.00 0.00 O ATOM 0 H GLU A 14 86.844 8.819 4.593 1.00 0.00 H new ATOM 0 HA GLU A 14 89.211 8.053 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 14 89.016 10.517 3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 14 88.871 10.298 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 14 91.134 9.286 5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 14 91.277 9.352 3.372 1.00 0.00 H new ATOM 219 N ALA A 15 90.032 6.557 4.733 1.00 0.00 N ATOM 220 CA ALA A 15 90.519 5.626 5.747 1.00 0.00 C ATOM 221 C ALA A 15 91.910 5.123 5.368 1.00 0.00 C ATOM 222 O ALA A 15 92.158 4.786 4.211 1.00 0.00 O ATOM 223 CB ALA A 15 89.553 4.444 5.856 1.00 0.00 C ATOM 0 H ALA A 15 90.373 6.370 3.790 1.00 0.00 H new ATOM 0 HA ALA A 15 90.578 6.138 6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 15 89.914 3.747 6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 15 88.565 4.807 6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.491 3.935 4.894 1.00 0.00 H new ATOM 229 N LEU A 16 92.822 5.084 6.337 1.00 0.00 N ATOM 230 CA LEU A 16 94.183 4.629 6.061 1.00 0.00 C ATOM 231 C LEU A 16 94.213 3.111 5.902 1.00 0.00 C ATOM 232 O LEU A 16 93.271 2.415 6.281 1.00 0.00 O ATOM 233 CB LEU A 16 95.146 5.055 7.190 1.00 0.00 C ATOM 234 CG LEU A 16 94.458 4.911 8.570 1.00 0.00 C ATOM 235 CD1 LEU A 16 95.497 4.535 9.637 1.00 0.00 C ATOM 236 CD2 LEU A 16 93.777 6.237 8.971 1.00 0.00 C ATOM 0 H LEU A 16 92.648 5.357 7.304 1.00 0.00 H new ATOM 0 HA LEU A 16 94.511 5.093 5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 16 96.046 4.441 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 16 95.459 6.088 7.039 1.00 0.00 H new ATOM 0 HG LEU A 16 93.704 4.127 8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 16 95.005 4.436 10.605 1.00 0.00 H new ATOM 0 HD12 LEU A 16 95.967 3.588 9.370 1.00 0.00 H new ATOM 0 HD13 LEU A 16 96.257 5.314 9.695 1.00 0.00 H new ATOM 0 HD21 LEU A 16 93.298 6.120 9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 16 94.525 7.028 9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 16 93.027 6.501 8.226 1.00 0.00 H new ATOM 248 N GLU A 17 95.303 2.611 5.331 1.00 0.00 N ATOM 249 CA GLU A 17 95.458 1.176 5.112 1.00 0.00 C ATOM 250 C GLU A 17 95.181 0.387 6.388 1.00 0.00 C ATOM 251 O GLU A 17 95.537 0.808 7.488 1.00 0.00 O ATOM 252 CB GLU A 17 96.878 0.872 4.621 1.00 0.00 C ATOM 253 CG GLU A 17 97.888 1.260 5.702 1.00 0.00 C ATOM 254 CD GLU A 17 99.306 1.159 5.149 1.00 0.00 C ATOM 255 OE1 GLU A 17 99.670 0.084 4.700 1.00 0.00 O ATOM 256 OE2 GLU A 17 100.005 2.158 5.178 1.00 0.00 O1- ATOM 0 H GLU A 17 96.091 3.175 5.012 1.00 0.00 H new ATOM 0 HA GLU A 17 94.734 0.873 4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 17 96.973 -0.188 4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.082 1.423 3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 17 97.694 2.276 6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 17 97.778 0.605 6.566 1.00 0.00 H new ATOM 263 N GLY A 18 94.551 -0.770 6.217 1.00 0.00 N ATOM 264 CA GLY A 18 94.228 -1.646 7.334 1.00 0.00 C ATOM 265 C GLY A 18 93.098 -1.082 8.193 1.00 0.00 C ATOM 266 O GLY A 18 92.969 -1.429 9.366 1.00 0.00 O ATOM 0 H GLY A 18 94.253 -1.124 5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.941 -2.627 6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.115 -1.790 7.951 1.00 0.00 H new ATOM 270 N GLY A 19 92.281 -0.210 7.606 1.00 0.00 N ATOM 271 CA GLY A 19 91.162 0.397 8.331 1.00 0.00 C ATOM 272 C GLY A 19 89.832 -0.180 7.862 1.00 0.00 C ATOM 273 O GLY A 19 89.795 -1.155 7.113 1.00 0.00 O ATOM 0 H GLY A 19 92.370 0.092 6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.281 0.225 9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.168 1.476 8.179 1.00 0.00 H new ATOM 277 N GLU A 20 88.738 0.446 8.301 1.00 0.00 N ATOM 278 CA GLU A 20 87.391 0.017 7.917 1.00 0.00 C ATOM 279 C GLU A 20 86.686 1.170 7.213 1.00 0.00 C ATOM 280 O GLU A 20 87.164 2.302 7.243 1.00 0.00 O ATOM 281 CB GLU A 20 86.584 -0.406 9.156 1.00 0.00 C ATOM 282 CG GLU A 20 86.901 0.526 10.332 1.00 0.00 C ATOM 283 CD GLU A 20 88.231 0.138 10.974 1.00 0.00 C ATOM 284 OE1 GLU A 20 88.546 -1.042 10.981 1.00 0.00 O ATOM 285 OE2 GLU A 20 88.913 1.027 11.457 1.00 0.00 O1- ATOM 0 H GLU A 20 88.759 1.253 8.924 1.00 0.00 H new ATOM 0 HA GLU A 20 87.466 -0.840 7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 20 85.517 -0.374 8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 20 86.824 -1.435 9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 20 86.945 1.558 9.985 1.00 0.00 H new ATOM 0 HG3 GLU A 20 86.103 0.472 11.072 1.00 0.00 H new ATOM 292 N ALA A 21 85.546 0.883 6.589 1.00 0.00 N ATOM 293 CA ALA A 21 84.789 1.941 5.889 1.00 0.00 C ATOM 294 C ALA A 21 83.312 1.823 6.204 1.00 0.00 C ATOM 295 O ALA A 21 82.768 0.721 6.262 1.00 0.00 O ATOM 296 CB ALA A 21 84.994 1.855 4.373 1.00 0.00 C ATOM 0 H ALA A 21 85.127 -0.046 6.548 1.00 0.00 H new ATOM 0 HA ALA A 21 85.162 2.904 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.425 2.646 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.053 1.973 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 21 84.650 0.885 4.014 1.00 0.00 H new ATOM 302 N LEU A 22 82.662 2.969 6.426 1.00 0.00 N ATOM 303 CA LEU A 22 81.238 2.979 6.759 1.00 0.00 C ATOM 304 C LEU A 22 80.461 3.957 5.887 1.00 0.00 C ATOM 305 O LEU A 22 80.719 5.161 5.901 1.00 0.00 O ATOM 306 CB LEU A 22 81.057 3.363 8.236 1.00 0.00 C ATOM 307 CG LEU A 22 82.055 2.573 9.126 1.00 0.00 C ATOM 308 CD1 LEU A 22 83.321 3.404 9.373 1.00 0.00 C ATOM 309 CD2 LEU A 22 81.406 2.249 10.479 1.00 0.00 C ATOM 0 H LEU A 22 83.095 3.892 6.382 1.00 0.00 H new ATOM 0 HA LEU A 22 80.847 1.978 6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.216 4.434 8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 22 80.035 3.153 8.550 1.00 0.00 H new ATOM 0 HG LEU A 22 82.319 1.650 8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 22 84.012 2.838 9.998 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.798 3.632 8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 22 83.054 4.333 9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 22 82.112 1.695 11.098 1.00 0.00 H new ATOM 0 HD22 LEU A 22 81.132 3.176 10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 22 80.513 1.646 10.319 1.00 0.00 H new ATOM 321 N PHE A 23 79.497 3.426 5.131 1.00 0.00 N ATOM 322 CA PHE A 23 78.661 4.244 4.250 1.00 0.00 C ATOM 323 C PHE A 23 77.211 4.243 4.739 1.00 0.00 C ATOM 324 O PHE A 23 76.502 3.249 4.588 1.00 0.00 O ATOM 325 CB PHE A 23 78.702 3.669 2.831 1.00 0.00 C ATOM 326 CG PHE A 23 80.002 4.036 2.150 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.124 5.266 1.492 1.00 0.00 C ATOM 328 CD2 PHE A 23 81.081 3.142 2.167 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.323 5.602 0.852 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.280 3.479 1.528 1.00 0.00 C ATOM 331 CZ PHE A 23 82.401 4.708 0.869 1.00 0.00 C ATOM 0 H PHE A 23 79.276 2.430 5.112 1.00 0.00 H new ATOM 0 HA PHE A 23 79.043 5.265 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.597 2.585 2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.861 4.051 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.293 5.956 1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 23 80.987 2.193 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.417 6.551 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 23 83.112 2.791 1.543 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.325 4.967 0.374 1.00 0.00 H new ATOM 341 N GLU A 24 76.777 5.353 5.338 1.00 0.00 N ATOM 342 CA GLU A 24 75.408 5.451 5.859 1.00 0.00 C ATOM 343 C GLU A 24 74.523 6.314 4.959 1.00 0.00 C ATOM 344 O GLU A 24 74.772 7.504 4.765 1.00 0.00 O ATOM 345 CB GLU A 24 75.435 6.041 7.274 1.00 0.00 C ATOM 346 CG GLU A 24 76.069 5.026 8.228 1.00 0.00 C ATOM 347 CD GLU A 24 76.204 5.625 9.623 1.00 0.00 C ATOM 348 OE1 GLU A 24 75.777 6.753 9.808 1.00 0.00 O ATOM 349 OE2 GLU A 24 76.738 4.948 10.486 1.00 0.00 O1- ATOM 0 H GLU A 24 77.344 6.189 5.475 1.00 0.00 H new ATOM 0 HA GLU A 24 74.985 4.447 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.003 6.971 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.423 6.282 7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.458 4.124 8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 24 77.050 4.730 7.855 1.00 0.00 H new ATOM 356 N CYS A 25 73.471 5.686 4.430 1.00 0.00 N ATOM 357 CA CYS A 25 72.503 6.356 3.559 1.00 0.00 C ATOM 358 C CYS A 25 71.132 6.320 4.215 1.00 0.00 C ATOM 359 O CYS A 25 70.667 5.266 4.648 1.00 0.00 O ATOM 360 CB CYS A 25 72.432 5.645 2.207 1.00 0.00 C ATOM 361 SG CYS A 25 71.421 6.617 1.063 1.00 0.00 S ATOM 0 H CYS A 25 73.266 4.700 4.593 1.00 0.00 H new ATOM 0 HA CYS A 25 72.816 7.388 3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 25 73.435 5.514 1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 25 72.005 4.650 2.330 1.00 0.00 H new ATOM 0 HG CYS A 25 71.414 7.861 1.440 1.00 0.00 H new ATOM 367 N GLN A 26 70.496 7.481 4.296 1.00 0.00 N ATOM 368 CA GLN A 26 69.177 7.601 4.915 1.00 0.00 C ATOM 369 C GLN A 26 68.136 7.954 3.855 1.00 0.00 C ATOM 370 O GLN A 26 68.209 9.014 3.239 1.00 0.00 O ATOM 371 CB GLN A 26 69.256 8.694 5.996 1.00 0.00 C ATOM 372 CG GLN A 26 67.859 9.129 6.434 1.00 0.00 C ATOM 373 CD GLN A 26 67.958 10.055 7.643 1.00 0.00 C ATOM 374 OE1 GLN A 26 68.935 10.000 8.392 1.00 0.00 O ATOM 375 NE2 GLN A 26 67.002 10.911 7.876 1.00 0.00 N ATOM 0 H GLN A 26 70.872 8.359 3.939 1.00 0.00 H new ATOM 0 HA GLN A 26 68.878 6.657 5.371 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.812 8.321 6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 26 69.805 9.553 5.611 1.00 0.00 H new ATOM 0 HG2 GLN A 26 67.354 9.640 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 26 67.258 8.255 6.683 1.00 0.00 H new ATOM 0 HE21 GLN A 26 66.194 10.955 7.255 1.00 0.00 H new ATOM 0 HE22 GLN A 26 67.062 11.537 8.679 1.00 0.00 H new ATOM 384 N LEU A 27 67.161 7.061 3.645 1.00 0.00 N ATOM 385 CA LEU A 27 66.111 7.300 2.647 1.00 0.00 C ATOM 386 C LEU A 27 64.723 7.031 3.230 1.00 0.00 C ATOM 387 O LEU A 27 64.556 6.224 4.142 1.00 0.00 O ATOM 388 CB LEU A 27 66.335 6.434 1.384 1.00 0.00 C ATOM 389 CG LEU A 27 66.893 5.034 1.729 1.00 0.00 C ATOM 390 CD1 LEU A 27 68.336 5.123 2.283 1.00 0.00 C ATOM 391 CD2 LEU A 27 65.973 4.335 2.743 1.00 0.00 C ATOM 0 H LEU A 27 67.077 6.177 4.146 1.00 0.00 H new ATOM 0 HA LEU A 27 66.167 8.350 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 27 65.392 6.326 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 27 67.027 6.944 0.713 1.00 0.00 H new ATOM 0 HG LEU A 27 66.925 4.447 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 27 68.699 4.122 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 27 68.985 5.580 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 27 68.341 5.730 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 27 66.374 3.350 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 27 65.915 4.932 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 27 64.976 4.227 2.316 1.00 0.00 H new ATOM 403 N SER A 28 63.726 7.718 2.682 1.00 0.00 N ATOM 404 CA SER A 28 62.345 7.554 3.129 1.00 0.00 C ATOM 405 C SER A 28 61.643 6.500 2.281 1.00 0.00 C ATOM 406 O SER A 28 61.145 6.794 1.197 1.00 0.00 O ATOM 407 CB SER A 28 61.596 8.883 3.012 1.00 0.00 C ATOM 408 OG SER A 28 60.319 8.754 3.621 1.00 0.00 O ATOM 0 H SER A 28 63.847 8.394 1.928 1.00 0.00 H new ATOM 0 HA SER A 28 62.350 7.233 4.171 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.164 9.678 3.495 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.486 9.161 1.964 1.00 0.00 H new ATOM 0 HG SER A 28 59.835 9.603 3.550 1.00 0.00 H new ATOM 414 N GLN A 29 61.614 5.271 2.781 1.00 0.00 N ATOM 415 CA GLN A 29 60.978 4.175 2.062 1.00 0.00 C ATOM 416 C GLN A 29 60.936 2.910 2.922 1.00 0.00 C ATOM 417 O GLN A 29 61.787 2.034 2.777 1.00 0.00 O ATOM 418 CB GLN A 29 61.766 3.882 0.777 1.00 0.00 C ATOM 419 CG GLN A 29 61.171 2.686 0.006 1.00 0.00 C ATOM 420 CD GLN A 29 59.640 2.680 0.042 1.00 0.00 C ATOM 421 OE1 GLN A 29 59.042 2.464 1.097 1.00 0.00 O ATOM 422 NE2 GLN A 29 58.967 2.894 -1.057 1.00 0.00 N ATOM 0 H GLN A 29 62.022 5.009 3.678 1.00 0.00 H new ATOM 0 HA GLN A 29 59.957 4.469 1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.763 4.765 0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.806 3.673 1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 29 61.508 2.719 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 29 61.547 1.757 0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 29 59.461 3.073 -1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 29 57.947 2.882 -1.041 1.00 0.00 H new ATOM 431 N PRO A 30 59.973 2.793 3.803 1.00 0.00 N ATOM 432 CA PRO A 30 59.839 1.598 4.683 1.00 0.00 C ATOM 433 C PRO A 30 59.300 0.387 3.912 1.00 0.00 C ATOM 434 O PRO A 30 58.462 -0.363 4.412 1.00 0.00 O ATOM 435 CB PRO A 30 58.868 2.052 5.806 1.00 0.00 C ATOM 436 CG PRO A 30 58.498 3.485 5.505 1.00 0.00 C ATOM 437 CD PRO A 30 58.913 3.771 4.059 1.00 0.00 C ATOM 0 HA PRO A 30 60.798 1.269 5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.980 1.420 5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 30 59.343 1.972 6.784 1.00 0.00 H new ATOM 0 HG2 PRO A 30 57.427 3.640 5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 30 59.004 4.164 6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 30 58.078 3.646 3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 30 59.274 4.793 3.940 1.00 0.00 H new ATOM 445 N GLU A 31 59.796 0.206 2.692 1.00 0.00 N ATOM 446 CA GLU A 31 59.372 -0.906 1.850 1.00 0.00 C ATOM 447 C GLU A 31 60.525 -1.333 0.953 1.00 0.00 C ATOM 448 O GLU A 31 61.410 -0.538 0.649 1.00 0.00 O ATOM 449 CB GLU A 31 58.173 -0.480 0.996 1.00 0.00 C ATOM 450 CG GLU A 31 57.666 -1.668 0.177 1.00 0.00 C ATOM 451 CD GLU A 31 56.417 -1.268 -0.601 1.00 0.00 C ATOM 452 OE1 GLU A 31 55.854 -0.232 -0.287 1.00 0.00 O1- ATOM 453 OE2 GLU A 31 56.040 -2.004 -1.498 1.00 0.00 O ATOM 0 H GLU A 31 60.493 0.816 2.265 1.00 0.00 H new ATOM 0 HA GLU A 31 59.078 -1.746 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.376 -0.102 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.461 0.334 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 31 58.442 -2.004 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.441 -2.506 0.837 1.00 0.00 H new ATOM 460 N VAL A 32 60.509 -2.588 0.523 1.00 0.00 N ATOM 461 CA VAL A 32 61.556 -3.109 -0.354 1.00 0.00 C ATOM 462 C VAL A 32 60.919 -3.760 -1.577 1.00 0.00 C ATOM 463 O VAL A 32 60.257 -4.792 -1.474 1.00 0.00 O ATOM 464 CB VAL A 32 62.399 -4.121 0.430 1.00 0.00 C ATOM 465 CG1 VAL A 32 63.472 -4.732 -0.471 1.00 0.00 C ATOM 466 CG2 VAL A 32 63.086 -3.402 1.594 1.00 0.00 C ATOM 0 H VAL A 32 59.785 -3.265 0.765 1.00 0.00 H new ATOM 0 HA VAL A 32 62.202 -2.301 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 32 61.747 -4.913 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 32 64.062 -5.448 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 32 62.996 -5.240 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 32 64.124 -3.943 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 32 63.688 -4.115 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 32 63.728 -2.612 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 32 62.331 -2.967 2.249 1.00 0.00 H new ATOM 476 N ALA A 33 61.120 -3.134 -2.737 1.00 0.00 N ATOM 477 CA ALA A 33 60.560 -3.634 -3.997 1.00 0.00 C ATOM 478 C ALA A 33 61.665 -4.098 -4.934 1.00 0.00 C ATOM 479 O ALA A 33 61.537 -5.119 -5.609 1.00 0.00 O ATOM 480 CB ALA A 33 59.751 -2.528 -4.678 1.00 0.00 C ATOM 0 H ALA A 33 61.667 -2.278 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 33 59.913 -4.481 -3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.337 -2.904 -5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.939 -2.214 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 33 60.400 -1.677 -4.884 1.00 0.00 H new ATOM 486 N ALA A 34 62.758 -3.344 -4.964 1.00 0.00 N ATOM 487 CA ALA A 34 63.890 -3.689 -5.813 1.00 0.00 C ATOM 488 C ALA A 34 65.088 -2.810 -5.469 1.00 0.00 C ATOM 489 O ALA A 34 65.065 -1.602 -5.702 1.00 0.00 O ATOM 490 CB ALA A 34 63.515 -3.509 -7.285 1.00 0.00 C ATOM 0 H ALA A 34 62.883 -2.495 -4.413 1.00 0.00 H new ATOM 0 HA ALA A 34 64.155 -4.732 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 34 64.368 -3.769 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 34 62.674 -4.158 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 34 63.236 -2.471 -7.465 1.00 0.00 H new ATOM 496 N HIS A 35 66.136 -3.414 -4.911 1.00 0.00 N ATOM 497 CA HIS A 35 67.338 -2.665 -4.535 1.00 0.00 C ATOM 498 C HIS A 35 68.592 -3.422 -4.959 1.00 0.00 C ATOM 499 O HIS A 35 68.744 -4.604 -4.655 1.00 0.00 O ATOM 500 CB HIS A 35 67.354 -2.454 -3.021 1.00 0.00 C ATOM 501 CG HIS A 35 66.181 -1.600 -2.623 1.00 0.00 C ATOM 502 ND1 HIS A 35 64.871 -1.983 -2.872 1.00 0.00 N ATOM 503 CD2 HIS A 35 66.101 -0.383 -1.995 1.00 0.00 C ATOM 504 CE1 HIS A 35 64.068 -1.011 -2.404 1.00 0.00 C ATOM 505 NE2 HIS A 35 64.767 -0.012 -1.857 1.00 0.00 N ATOM 0 H HIS A 35 66.179 -4.413 -4.710 1.00 0.00 H new ATOM 0 HA HIS A 35 67.324 -1.700 -5.041 1.00 0.00 H new ATOM 0 HB2 HIS A 35 67.309 -3.415 -2.508 1.00 0.00 H new ATOM 0 HB3 HIS A 35 68.286 -1.975 -2.719 1.00 0.00 H new ATOM 0 HD2 HIS A 35 66.946 0.199 -1.658 1.00 0.00 H new ATOM 0 HE1 HIS A 35 62.990 -1.035 -2.463 1.00 0.00 H new ATOM 0 HE2 HIS A 35 64.401 0.839 -1.430 1.00 0.00 H new ATOM 513 N THR A 36 69.492 -2.733 -5.666 1.00 0.00 N ATOM 514 CA THR A 36 70.742 -3.350 -6.130 1.00 0.00 C ATOM 515 C THR A 36 71.937 -2.528 -5.667 1.00 0.00 C ATOM 516 O THR A 36 71.963 -1.315 -5.841 1.00 0.00 O ATOM 517 CB THR A 36 70.733 -3.448 -7.658 1.00 0.00 C ATOM 518 OG1 THR A 36 69.649 -4.272 -8.063 1.00 0.00 O ATOM 519 CG2 THR A 36 72.048 -4.059 -8.150 1.00 0.00 C ATOM 0 H THR A 36 69.382 -1.754 -5.929 1.00 0.00 H new ATOM 0 HA THR A 36 70.822 -4.352 -5.707 1.00 0.00 H new ATOM 0 HB THR A 36 70.622 -2.451 -8.085 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.636 -4.338 -9.041 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.034 -4.125 -9.238 1.00 0.00 H new ATOM 0 HG22 THR A 36 72.881 -3.431 -7.836 1.00 0.00 H new ATOM 0 HG23 THR A 36 72.166 -5.057 -7.727 1.00 0.00 H new ATOM 527 N TRP A 37 72.922 -3.195 -5.065 1.00 0.00 N ATOM 528 CA TRP A 37 74.119 -2.511 -4.560 1.00 0.00 C ATOM 529 C TRP A 37 75.385 -3.134 -5.143 1.00 0.00 C ATOM 530 O TRP A 37 75.789 -4.229 -4.756 1.00 0.00 O ATOM 531 CB TRP A 37 74.145 -2.607 -3.027 1.00 0.00 C ATOM 532 CG TRP A 37 75.044 -1.557 -2.429 1.00 0.00 C ATOM 533 CD1 TRP A 37 76.054 -0.910 -3.065 1.00 0.00 C ATOM 534 CD2 TRP A 37 75.014 -1.020 -1.075 1.00 0.00 C ATOM 535 NE1 TRP A 37 76.639 -0.020 -2.184 1.00 0.00 N ATOM 536 CE2 TRP A 37 76.034 -0.050 -0.947 1.00 0.00 C ATOM 537 CE3 TRP A 37 74.206 -1.281 0.045 1.00 0.00 C ATOM 538 CZ2 TRP A 37 76.245 0.639 0.249 1.00 0.00 C ATOM 539 CZ3 TRP A 37 74.414 -0.591 1.250 1.00 0.00 C ATOM 540 CH2 TRP A 37 75.431 0.369 1.353 1.00 0.00 C ATOM 0 H TRP A 37 72.918 -4.204 -4.914 1.00 0.00 H new ATOM 0 HA TRP A 37 74.084 -1.465 -4.864 1.00 0.00 H new ATOM 0 HB2 TRP A 37 73.134 -2.489 -2.636 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.489 -3.597 -2.728 1.00 0.00 H new ATOM 0 HD1 TRP A 37 76.352 -1.065 -4.091 1.00 0.00 H new ATOM 0 HE1 TRP A 37 77.424 0.586 -2.421 1.00 0.00 H new ATOM 0 HE3 TRP A 37 73.419 -2.018 -0.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 77.032 1.375 0.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 73.786 -0.801 2.103 1.00 0.00 H new ATOM 0 HH2 TRP A 37 75.585 0.898 2.282 1.00 0.00 H new ATOM 551 N LEU A 38 76.013 -2.408 -6.071 1.00 0.00 N ATOM 552 CA LEU A 38 77.249 -2.869 -6.705 1.00 0.00 C ATOM 553 C LEU A 38 78.316 -1.781 -6.649 1.00 0.00 C ATOM 554 O LEU A 38 78.205 -0.748 -7.305 1.00 0.00 O ATOM 555 CB LEU A 38 76.982 -3.249 -8.165 1.00 0.00 C ATOM 556 CG LEU A 38 75.979 -4.408 -8.232 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.641 -4.694 -9.699 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.582 -5.673 -7.588 1.00 0.00 C ATOM 0 H LEU A 38 75.686 -1.499 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 38 77.607 -3.744 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.592 -2.388 -8.708 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.915 -3.536 -8.651 1.00 0.00 H new ATOM 0 HG LEU A 38 75.075 -4.132 -7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.928 -5.517 -9.754 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.204 -3.804 -10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.550 -4.965 -10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.860 -6.488 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.489 -5.956 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 38 76.823 -5.470 -6.544 1.00 0.00 H new ATOM 570 N LEU A 39 79.360 -2.042 -5.874 1.00 0.00 N ATOM 571 CA LEU A 39 80.469 -1.115 -5.736 1.00 0.00 C ATOM 572 C LEU A 39 81.442 -1.542 -6.805 1.00 0.00 C ATOM 573 O LEU A 39 81.146 -1.404 -7.993 1.00 0.00 O ATOM 574 CB LEU A 39 81.076 -1.192 -4.301 1.00 0.00 C ATOM 575 CG LEU A 39 80.636 -2.475 -3.583 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.316 -3.685 -4.229 1.00 0.00 C ATOM 577 CD2 LEU A 39 81.027 -2.395 -2.101 1.00 0.00 C ATOM 0 H LEU A 39 79.460 -2.897 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 39 80.178 -0.072 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.164 -1.160 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.763 -0.322 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 39 79.554 -2.582 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 39 81.002 -4.595 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 39 81.033 -3.743 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.398 -3.579 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.714 -3.307 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 39 82.108 -2.285 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.537 -1.537 -1.641 1.00 0.00 H new ATOM 589 N ASP A 40 82.540 -2.153 -6.423 1.00 0.00 N ATOM 590 CA ASP A 40 83.427 -2.680 -7.413 1.00 0.00 C ATOM 591 C ASP A 40 82.610 -3.723 -8.166 1.00 0.00 C ATOM 592 O ASP A 40 81.512 -4.074 -7.735 1.00 0.00 O ATOM 593 CB ASP A 40 84.667 -3.310 -6.771 1.00 0.00 C ATOM 594 CG ASP A 40 85.663 -3.716 -7.852 1.00 0.00 C ATOM 595 OD1 ASP A 40 85.503 -3.269 -8.975 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 86.574 -4.464 -7.539 1.00 0.00 O ATOM 0 H ASP A 40 82.829 -2.292 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 40 83.800 -1.899 -8.076 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.131 -2.602 -6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 40 84.380 -4.182 -6.183 1.00 0.00 H new ATOM 601 N ASP A 41 83.091 -4.161 -9.292 1.00 0.00 N ATOM 602 CA ASP A 41 82.346 -5.115 -10.109 1.00 0.00 C ATOM 603 C ASP A 41 82.163 -6.461 -9.397 1.00 0.00 C ATOM 604 O ASP A 41 82.139 -7.508 -10.048 1.00 0.00 O ATOM 605 CB ASP A 41 83.096 -5.358 -11.422 1.00 0.00 C ATOM 606 CG ASP A 41 83.006 -4.132 -12.324 1.00 0.00 C ATOM 607 OD1 ASP A 41 82.156 -3.295 -12.069 1.00 0.00 O1- ATOM 608 OD2 ASP A 41 83.784 -4.054 -13.261 1.00 0.00 O ATOM 0 H ASP A 41 83.993 -3.882 -9.678 1.00 0.00 H new ATOM 0 HA ASP A 41 81.361 -4.687 -10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 41 84.141 -5.587 -11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.675 -6.224 -11.933 1.00 0.00 H new ATOM 613 N GLU A 42 81.997 -6.439 -8.066 1.00 0.00 N ATOM 614 CA GLU A 42 81.778 -7.679 -7.304 1.00 0.00 C ATOM 615 C GLU A 42 80.536 -7.525 -6.422 1.00 0.00 C ATOM 616 O GLU A 42 80.362 -6.479 -5.796 1.00 0.00 O ATOM 617 CB GLU A 42 82.998 -7.985 -6.417 1.00 0.00 C ATOM 618 CG GLU A 42 84.103 -8.627 -7.263 1.00 0.00 C ATOM 619 CD GLU A 42 84.573 -7.649 -8.334 1.00 0.00 C ATOM 620 OE1 GLU A 42 84.938 -6.541 -7.977 1.00 0.00 O1- ATOM 621 OE2 GLU A 42 84.561 -8.023 -9.496 1.00 0.00 O ATOM 0 H GLU A 42 82.010 -5.590 -7.501 1.00 0.00 H new ATOM 0 HA GLU A 42 81.634 -8.501 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.365 -7.067 -5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.712 -8.655 -5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 42 84.941 -8.912 -6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 42 83.732 -9.539 -7.730 1.00 0.00 H new ATOM 628 N PRO A 43 79.677 -8.523 -6.328 1.00 0.00 N ATOM 629 CA PRO A 43 78.480 -8.398 -5.464 1.00 0.00 C ATOM 630 C PRO A 43 78.931 -8.034 -4.057 1.00 0.00 C ATOM 631 O PRO A 43 79.882 -8.618 -3.537 1.00 0.00 O ATOM 632 CB PRO A 43 77.776 -9.773 -5.520 1.00 0.00 C ATOM 633 CG PRO A 43 78.566 -10.644 -6.471 1.00 0.00 C ATOM 634 CD PRO A 43 79.756 -9.826 -7.009 1.00 0.00 C ATOM 0 HA PRO A 43 77.791 -7.618 -5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.736 -10.225 -4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.747 -9.664 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.922 -11.538 -5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.933 -10.978 -7.293 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.702 -10.323 -6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.694 -9.708 -8.091 1.00 0.00 H new ATOM 642 N VAL A 44 78.288 -7.039 -3.460 1.00 0.00 N ATOM 643 CA VAL A 44 78.697 -6.590 -2.138 1.00 0.00 C ATOM 644 C VAL A 44 78.020 -7.374 -1.028 1.00 0.00 C ATOM 645 O VAL A 44 77.032 -6.946 -0.439 1.00 0.00 O ATOM 646 CB VAL A 44 78.401 -5.102 -1.997 1.00 0.00 C ATOM 647 CG1 VAL A 44 76.896 -4.825 -2.176 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.874 -4.619 -0.622 1.00 0.00 C ATOM 0 H VAL A 44 77.496 -6.536 -3.861 1.00 0.00 H new ATOM 0 HA VAL A 44 79.768 -6.766 -2.039 1.00 0.00 H new ATOM 0 HB VAL A 44 78.936 -4.558 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 44 76.708 -3.757 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 44 76.581 -5.154 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 44 76.333 -5.369 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 44 78.664 -3.555 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 44 78.349 -5.171 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 44 79.947 -4.788 -0.526 1.00 0.00 H new ATOM 658 N ARG A 45 78.621 -8.510 -0.729 1.00 0.00 N ATOM 659 CA ARG A 45 78.181 -9.380 0.344 1.00 0.00 C ATOM 660 C ARG A 45 79.423 -10.046 0.898 1.00 0.00 C ATOM 661 O ARG A 45 80.012 -9.569 1.848 1.00 0.00 O ATOM 662 CB ARG A 45 77.169 -10.408 -0.155 1.00 0.00 C ATOM 663 CG ARG A 45 76.714 -11.267 1.022 1.00 0.00 C ATOM 664 CD ARG A 45 75.516 -12.100 0.595 1.00 0.00 C ATOM 665 NE ARG A 45 75.156 -13.050 1.641 1.00 0.00 N ATOM 666 CZ ARG A 45 74.092 -13.839 1.519 1.00 0.00 C ATOM 667 NH1 ARG A 45 73.997 -14.659 0.507 1.00 0.00 N ATOM 668 NH2 ARG A 45 73.144 -13.795 2.414 1.00 0.00 N1+ ATOM 0 H ARG A 45 79.438 -8.858 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 45 77.670 -8.811 1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 45 76.314 -9.906 -0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 45 77.617 -11.034 -0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 45 77.526 -11.916 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 45 76.450 -10.634 1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 45 74.670 -11.447 0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 45 75.747 -12.635 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 45 75.731 -13.111 2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 45 74.739 -14.695 -0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 45 73.180 -15.263 0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 45 73.219 -13.156 3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 45 72.327 -14.399 2.322 1.00 0.00 H new ATOM 682 N THR A 46 79.837 -11.126 0.264 1.00 0.00 N ATOM 683 CA THR A 46 81.054 -11.821 0.671 1.00 0.00 C ATOM 684 C THR A 46 80.998 -12.229 2.154 1.00 0.00 C ATOM 685 O THR A 46 80.069 -12.924 2.565 1.00 0.00 O ATOM 686 CB THR A 46 82.271 -10.913 0.379 1.00 0.00 C ATOM 687 OG1 THR A 46 82.523 -10.064 1.488 1.00 0.00 O ATOM 688 CG2 THR A 46 81.989 -10.046 -0.856 1.00 0.00 C ATOM 0 H THR A 46 79.355 -11.544 -0.532 1.00 0.00 H new ATOM 0 HA THR A 46 81.150 -12.743 0.098 1.00 0.00 H new ATOM 0 HB THR A 46 83.141 -11.544 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.699 -9.593 1.733 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.850 -9.408 -1.057 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.804 -10.688 -1.717 1.00 0.00 H new ATOM 0 HG23 THR A 46 81.112 -9.425 -0.672 1.00 0.00 H new ATOM 696 N SER A 47 82.004 -11.833 2.954 1.00 0.00 N ATOM 697 CA SER A 47 82.050 -12.212 4.379 1.00 0.00 C ATOM 698 C SER A 47 82.423 -11.015 5.276 1.00 0.00 C ATOM 699 O SER A 47 82.019 -9.895 5.021 1.00 0.00 O ATOM 700 CB SER A 47 83.076 -13.327 4.549 1.00 0.00 C ATOM 701 OG SER A 47 82.716 -14.418 3.709 1.00 0.00 O ATOM 0 H SER A 47 82.787 -11.258 2.644 1.00 0.00 H new ATOM 0 HA SER A 47 81.060 -12.550 4.684 1.00 0.00 H new ATOM 0 HB2 SER A 47 84.071 -12.966 4.291 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.113 -13.649 5.590 1.00 0.00 H new ATOM 0 HG SER A 47 83.371 -15.139 3.811 1.00 0.00 H new ATOM 707 N GLU A 48 83.160 -11.260 6.356 1.00 0.00 N ATOM 708 CA GLU A 48 83.521 -10.173 7.276 1.00 0.00 C ATOM 709 C GLU A 48 84.280 -9.043 6.573 1.00 0.00 C ATOM 710 O GLU A 48 84.017 -7.868 6.824 1.00 0.00 O ATOM 711 CB GLU A 48 84.389 -10.711 8.418 1.00 0.00 C ATOM 712 CG GLU A 48 83.566 -11.634 9.322 1.00 0.00 C ATOM 713 CD GLU A 48 82.483 -10.837 10.044 1.00 0.00 C ATOM 714 OE1 GLU A 48 82.633 -9.630 10.149 1.00 0.00 O ATOM 715 OE2 GLU A 48 81.521 -11.445 10.483 1.00 0.00 O1- ATOM 0 H GLU A 48 83.515 -12.180 6.617 1.00 0.00 H new ATOM 0 HA GLU A 48 82.587 -9.768 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 48 85.241 -11.255 8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 48 84.789 -9.882 9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 48 83.110 -12.425 8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 48 84.218 -12.118 10.050 1.00 0.00 H new ATOM 722 N ASN A 49 85.231 -9.398 5.716 1.00 0.00 N ATOM 723 CA ASN A 49 86.031 -8.391 5.015 1.00 0.00 C ATOM 724 C ASN A 49 85.157 -7.488 4.143 1.00 0.00 C ATOM 725 O ASN A 49 85.662 -6.597 3.461 1.00 0.00 O ATOM 726 CB ASN A 49 87.076 -9.085 4.142 1.00 0.00 C ATOM 727 CG ASN A 49 87.909 -8.051 3.391 1.00 0.00 C ATOM 728 OD1 ASN A 49 87.732 -7.869 2.186 1.00 0.00 O ATOM 729 ND2 ASN A 49 88.811 -7.361 4.032 1.00 0.00 N ATOM 0 H ASN A 49 85.468 -10.364 5.489 1.00 0.00 H new ATOM 0 HA ASN A 49 86.521 -7.768 5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 49 87.725 -9.704 4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 49 86.584 -9.750 3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 49 89.372 -6.669 3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 49 88.956 -7.514 5.030 1.00 0.00 H new ATOM 736 N ALA A 50 83.852 -7.722 4.182 1.00 0.00 N ATOM 737 CA ALA A 50 82.897 -6.935 3.402 1.00 0.00 C ATOM 738 C ALA A 50 81.528 -7.590 3.512 1.00 0.00 C ATOM 739 O ALA A 50 81.421 -8.781 3.290 1.00 0.00 O ATOM 740 CB ALA A 50 83.331 -6.887 1.935 1.00 0.00 C ATOM 0 H ALA A 50 83.425 -8.455 4.749 1.00 0.00 H new ATOM 0 HA ALA A 50 82.857 -5.916 3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.614 -6.299 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.317 -6.428 1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.372 -7.900 1.534 1.00 0.00 H new ATOM 746 N GLU A 51 80.489 -6.812 3.817 1.00 0.00 N ATOM 747 CA GLU A 51 79.130 -7.364 3.927 1.00 0.00 C ATOM 748 C GLU A 51 78.145 -6.259 4.276 1.00 0.00 C ATOM 749 O GLU A 51 78.497 -5.332 5.013 1.00 0.00 O ATOM 750 CB GLU A 51 79.077 -8.436 5.026 1.00 0.00 C ATOM 751 CG GLU A 51 77.665 -9.018 5.118 1.00 0.00 C ATOM 752 CD GLU A 51 77.642 -10.157 6.129 1.00 0.00 C ATOM 753 OE1 GLU A 51 78.712 -10.593 6.523 1.00 0.00 O1- ATOM 754 OE2 GLU A 51 76.557 -10.574 6.499 1.00 0.00 O ATOM 0 H GLU A 51 80.556 -5.809 3.991 1.00 0.00 H new ATOM 0 HA GLU A 51 78.864 -7.809 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.793 -9.228 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.364 -8.002 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.960 -8.241 5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 51 77.347 -9.380 4.141 1.00 0.00 H new ATOM 761 N VAL A 52 76.913 -6.319 3.744 1.00 0.00 N ATOM 762 CA VAL A 52 75.930 -5.273 4.029 1.00 0.00 C ATOM 763 C VAL A 52 75.059 -5.634 5.228 1.00 0.00 C ATOM 764 O VAL A 52 74.644 -6.781 5.396 1.00 0.00 O ATOM 765 CB VAL A 52 75.009 -5.061 2.819 1.00 0.00 C ATOM 766 CG1 VAL A 52 74.233 -3.755 2.990 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.827 -4.995 1.528 1.00 0.00 C ATOM 0 H VAL A 52 76.584 -7.063 3.129 1.00 0.00 H new ATOM 0 HA VAL A 52 76.488 -4.363 4.249 1.00 0.00 H new ATOM 0 HB VAL A 52 74.316 -5.900 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.579 -3.605 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.633 -3.805 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.933 -2.923 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.158 -4.844 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.532 -4.165 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.375 -5.928 1.396 1.00 0.00 H new ATOM 777 N VAL A 53 74.750 -4.619 6.019 1.00 0.00 N ATOM 778 CA VAL A 53 73.880 -4.765 7.181 1.00 0.00 C ATOM 779 C VAL A 53 73.034 -3.504 7.295 1.00 0.00 C ATOM 780 O VAL A 53 73.492 -2.421 6.934 1.00 0.00 O ATOM 781 CB VAL A 53 74.705 -4.967 8.457 1.00 0.00 C ATOM 782 CG1 VAL A 53 75.209 -6.411 8.524 1.00 0.00 C ATOM 783 CG2 VAL A 53 75.899 -4.013 8.447 1.00 0.00 C ATOM 0 H VAL A 53 75.094 -3.669 5.876 1.00 0.00 H new ATOM 0 HA VAL A 53 73.243 -5.641 7.059 1.00 0.00 H new ATOM 0 HB VAL A 53 74.080 -4.762 9.326 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.795 -6.550 9.433 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.359 -7.093 8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.833 -6.619 7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 53 76.486 -4.156 9.354 1.00 0.00 H new ATOM 0 HG22 VAL A 53 76.521 -4.218 7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 53 75.542 -2.984 8.404 1.00 0.00 H new ATOM 793 N PHE A 54 71.804 -3.627 7.783 1.00 0.00 N ATOM 794 CA PHE A 54 70.946 -2.451 7.905 1.00 0.00 C ATOM 795 C PHE A 54 69.837 -2.674 8.923 1.00 0.00 C ATOM 796 O PHE A 54 69.460 -3.810 9.208 1.00 0.00 O ATOM 797 CB PHE A 54 70.343 -2.100 6.540 1.00 0.00 C ATOM 798 CG PHE A 54 69.408 -3.190 6.062 1.00 0.00 C ATOM 799 CD1 PHE A 54 68.077 -3.213 6.497 1.00 0.00 C ATOM 800 CD2 PHE A 54 69.864 -4.155 5.152 1.00 0.00 C ATOM 801 CE1 PHE A 54 67.201 -4.200 6.022 1.00 0.00 C ATOM 802 CE2 PHE A 54 68.991 -5.145 4.683 1.00 0.00 C ATOM 803 CZ PHE A 54 67.659 -5.167 5.115 1.00 0.00 C ATOM 0 H PHE A 54 71.386 -4.504 8.093 1.00 0.00 H new ATOM 0 HA PHE A 54 71.560 -1.621 8.255 1.00 0.00 H new ATOM 0 HB2 PHE A 54 69.802 -1.157 6.610 1.00 0.00 H new ATOM 0 HB3 PHE A 54 71.142 -1.956 5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 54 67.725 -2.471 7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 54 70.889 -4.135 4.813 1.00 0.00 H new ATOM 0 HE1 PHE A 54 66.174 -4.215 6.355 1.00 0.00 H new ATOM 0 HE2 PHE A 54 69.345 -5.892 3.988 1.00 0.00 H new ATOM 0 HZ PHE A 54 66.985 -5.928 4.750 1.00 0.00 H new ATOM 813 N PHE A 55 69.326 -1.575 9.486 1.00 0.00 N ATOM 814 CA PHE A 55 68.266 -1.656 10.494 1.00 0.00 C ATOM 815 C PHE A 55 67.126 -0.694 10.161 1.00 0.00 C ATOM 816 O PHE A 55 67.107 -0.080 9.093 1.00 0.00 O ATOM 817 CB PHE A 55 68.841 -1.309 11.869 1.00 0.00 C ATOM 818 CG PHE A 55 70.187 -1.978 12.022 1.00 0.00 C ATOM 819 CD1 PHE A 55 71.341 -1.327 11.569 1.00 0.00 C ATOM 820 CD2 PHE A 55 70.285 -3.246 12.610 1.00 0.00 C ATOM 821 CE1 PHE A 55 72.591 -1.940 11.701 1.00 0.00 C ATOM 822 CE2 PHE A 55 71.538 -3.860 12.743 1.00 0.00 C ATOM 823 CZ PHE A 55 72.691 -3.205 12.287 1.00 0.00 C ATOM 0 H PHE A 55 69.627 -0.626 9.263 1.00 0.00 H new ATOM 0 HA PHE A 55 67.872 -2.672 10.502 1.00 0.00 H new ATOM 0 HB2 PHE A 55 68.943 -0.229 11.973 1.00 0.00 H new ATOM 0 HB3 PHE A 55 68.164 -1.642 12.655 1.00 0.00 H new ATOM 0 HD1 PHE A 55 71.266 -0.349 11.117 1.00 0.00 H new ATOM 0 HD2 PHE A 55 69.396 -3.750 12.960 1.00 0.00 H new ATOM 0 HE1 PHE A 55 73.479 -1.436 11.350 1.00 0.00 H new ATOM 0 HE2 PHE A 55 71.615 -4.837 13.196 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.657 -3.678 12.389 1.00 0.00 H new ATOM 833 N GLU A 56 66.174 -0.581 11.085 1.00 0.00 N ATOM 834 CA GLU A 56 65.018 0.294 10.896 1.00 0.00 C ATOM 835 C GLU A 56 64.234 -0.111 9.650 1.00 0.00 C ATOM 836 O GLU A 56 63.580 0.717 9.017 1.00 0.00 O ATOM 837 CB GLU A 56 65.459 1.757 10.796 1.00 0.00 C ATOM 838 CG GLU A 56 66.054 2.208 12.131 1.00 0.00 C ATOM 839 CD GLU A 56 64.963 2.264 13.196 1.00 0.00 C ATOM 840 OE1 GLU A 56 63.803 2.338 12.822 1.00 0.00 O ATOM 841 OE2 GLU A 56 65.303 2.237 14.368 1.00 0.00 O1- ATOM 0 H GLU A 56 66.180 -1.084 11.972 1.00 0.00 H new ATOM 0 HA GLU A 56 64.366 0.188 11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 56 66.196 1.871 10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.608 2.386 10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 56 66.840 1.519 12.440 1.00 0.00 H new ATOM 0 HG3 GLU A 56 66.516 3.189 12.020 1.00 0.00 H new ATOM 848 N ASN A 57 64.317 -1.397 9.319 1.00 0.00 N ATOM 849 CA ASN A 57 63.625 -1.959 8.157 1.00 0.00 C ATOM 850 C ASN A 57 64.166 -1.413 6.836 1.00 0.00 C ATOM 851 O ASN A 57 63.415 -1.256 5.875 1.00 0.00 O ATOM 852 CB ASN A 57 62.120 -1.678 8.242 1.00 0.00 C ATOM 853 CG ASN A 57 61.577 -2.142 9.588 1.00 0.00 C ATOM 854 OD1 ASN A 57 61.647 -3.327 9.910 1.00 0.00 O ATOM 855 ND2 ASN A 57 61.036 -1.275 10.398 1.00 0.00 N ATOM 0 H ASN A 57 64.863 -2.079 9.845 1.00 0.00 H new ATOM 0 HA ASN A 57 63.805 -3.034 8.175 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.933 -0.612 8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.600 -2.192 7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 57 60.670 -1.579 11.300 1.00 0.00 H new ATOM 0 HD22 ASN A 57 60.979 -0.293 10.129 1.00 0.00 H new ATOM 862 N GLY A 58 65.473 -1.159 6.773 1.00 0.00 N ATOM 863 CA GLY A 58 66.089 -0.673 5.534 1.00 0.00 C ATOM 864 C GLY A 58 66.033 0.846 5.399 1.00 0.00 C ATOM 865 O GLY A 58 66.290 1.380 4.320 1.00 0.00 O ATOM 0 H GLY A 58 66.120 -1.279 7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 58 67.129 -0.998 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 58 65.585 -1.127 4.681 1.00 0.00 H new ATOM 869 N LEU A 59 65.717 1.547 6.483 1.00 0.00 N ATOM 870 CA LEU A 59 65.666 3.007 6.427 1.00 0.00 C ATOM 871 C LEU A 59 67.068 3.578 6.627 1.00 0.00 C ATOM 872 O LEU A 59 67.327 4.741 6.312 1.00 0.00 O ATOM 873 CB LEU A 59 64.722 3.557 7.498 1.00 0.00 C ATOM 874 CG LEU A 59 63.274 3.127 7.205 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.378 3.554 8.373 1.00 0.00 C ATOM 876 CD2 LEU A 59 62.770 3.782 5.901 1.00 0.00 C ATOM 0 H LEU A 59 65.497 1.141 7.393 1.00 0.00 H new ATOM 0 HA LEU A 59 65.288 3.305 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 59 65.025 3.194 8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 59 64.787 4.645 7.526 1.00 0.00 H new ATOM 0 HG LEU A 59 63.241 2.044 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 59 61.350 3.252 8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.724 3.077 9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.422 4.637 8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 59 61.744 3.467 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.804 4.867 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 59 63.406 3.475 5.070 1.00 0.00 H new ATOM 888 N ARG A 60 67.978 2.739 7.138 1.00 0.00 N ATOM 889 CA ARG A 60 69.368 3.149 7.362 1.00 0.00 C ATOM 890 C ARG A 60 70.325 2.071 6.856 1.00 0.00 C ATOM 891 O ARG A 60 70.669 1.136 7.584 1.00 0.00 O ATOM 892 CB ARG A 60 69.613 3.381 8.856 1.00 0.00 C ATOM 893 CG ARG A 60 68.850 4.626 9.316 1.00 0.00 C ATOM 894 CD ARG A 60 69.051 4.825 10.820 1.00 0.00 C ATOM 895 NE ARG A 60 68.264 5.963 11.287 1.00 0.00 N ATOM 896 CZ ARG A 60 68.735 7.206 11.226 1.00 0.00 C ATOM 897 NH1 ARG A 60 69.978 7.452 11.541 1.00 0.00 N ATOM 898 NH2 ARG A 60 67.954 8.180 10.847 1.00 0.00 N1+ ATOM 0 H ARG A 60 67.776 1.775 7.403 1.00 0.00 H new ATOM 0 HA ARG A 60 69.547 4.075 6.816 1.00 0.00 H new ATOM 0 HB2 ARG A 60 69.288 2.511 9.427 1.00 0.00 H new ATOM 0 HB3 ARG A 60 70.679 3.506 9.045 1.00 0.00 H new ATOM 0 HG2 ARG A 60 69.203 5.503 8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 60 67.789 4.518 9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 60 68.754 3.924 11.356 1.00 0.00 H new ATOM 0 HD3 ARG A 60 70.107 4.991 11.035 1.00 0.00 H new ATOM 0 HE ARG A 60 67.332 5.801 11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 60 70.590 6.691 11.835 1.00 0.00 H new ATOM 0 HH12 ARG A 60 70.337 8.406 11.494 1.00 0.00 H new ATOM 0 HH21 ARG A 60 66.984 7.988 10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 60 68.314 9.133 10.800 1.00 0.00 H new ATOM 912 N HIS A 61 70.734 2.200 5.594 1.00 0.00 N ATOM 913 CA HIS A 61 71.635 1.225 4.976 1.00 0.00 C ATOM 914 C HIS A 61 73.090 1.497 5.362 1.00 0.00 C ATOM 915 O HIS A 61 73.649 2.535 5.016 1.00 0.00 O ATOM 916 CB HIS A 61 71.486 1.283 3.451 1.00 0.00 C ATOM 917 CG HIS A 61 70.183 0.646 3.037 1.00 0.00 C ATOM 918 ND1 HIS A 61 69.048 1.393 2.754 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.826 -0.666 2.842 1.00 0.00 C ATOM 920 CE1 HIS A 61 68.072 0.531 2.407 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.494 -0.735 2.444 1.00 0.00 N ATOM 0 H HIS A 61 70.458 2.967 4.981 1.00 0.00 H new ATOM 0 HA HIS A 61 71.366 0.232 5.337 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.518 2.319 3.113 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.320 0.767 2.976 1.00 0.00 H new ATOM 0 HD2 HIS A 61 70.480 -1.515 2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.071 0.828 2.132 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.955 -1.574 2.227 1.00 0.00 H new ATOM 929 N LEU A 62 73.694 0.558 6.098 1.00 0.00 N ATOM 930 CA LEU A 62 75.086 0.695 6.557 1.00 0.00 C ATOM 931 C LEU A 62 75.945 -0.465 6.034 1.00 0.00 C ATOM 932 O LEU A 62 75.630 -1.629 6.263 1.00 0.00 O ATOM 933 CB LEU A 62 75.078 0.692 8.096 1.00 0.00 C ATOM 934 CG LEU A 62 76.457 1.092 8.674 1.00 0.00 C ATOM 935 CD1 LEU A 62 76.281 1.630 10.105 1.00 0.00 C ATOM 936 CD2 LEU A 62 77.410 -0.123 8.713 1.00 0.00 C ATOM 0 H LEU A 62 73.242 -0.308 6.391 1.00 0.00 H new ATOM 0 HA LEU A 62 75.513 1.623 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.317 1.383 8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.805 -0.300 8.457 1.00 0.00 H new ATOM 0 HG LEU A 62 76.886 1.861 8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.253 1.911 10.510 1.00 0.00 H new ATOM 0 HD12 LEU A 62 75.629 2.503 10.088 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.836 0.857 10.732 1.00 0.00 H new ATOM 0 HD21 LEU A 62 78.373 0.183 9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.979 -0.903 9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 62 77.551 -0.507 7.703 1.00 0.00 H new ATOM 948 N LEU A 63 77.041 -0.132 5.336 1.00 0.00 N ATOM 949 CA LEU A 63 77.963 -1.145 4.781 1.00 0.00 C ATOM 950 C LEU A 63 79.326 -1.055 5.468 1.00 0.00 C ATOM 951 O LEU A 63 79.954 0.005 5.449 1.00 0.00 O ATOM 952 CB LEU A 63 78.124 -0.902 3.266 1.00 0.00 C ATOM 953 CG LEU A 63 79.328 -1.678 2.697 1.00 0.00 C ATOM 954 CD1 LEU A 63 79.184 -3.172 3.005 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.381 -1.474 1.180 1.00 0.00 C ATOM 0 H LEU A 63 77.314 0.831 5.140 1.00 0.00 H new ATOM 0 HA LEU A 63 77.553 -2.140 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.215 -1.207 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.255 0.164 3.079 1.00 0.00 H new ATOM 0 HG LEU A 63 80.245 -1.309 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 63 80.040 -3.711 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.142 -3.319 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.268 -3.550 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 63 80.230 -2.020 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.460 -1.845 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.491 -0.412 0.959 1.00 0.00 H new ATOM 967 N LEU A 64 79.787 -2.151 6.093 1.00 0.00 N ATOM 968 CA LEU A 64 81.077 -2.142 6.795 1.00 0.00 C ATOM 969 C LEU A 64 82.114 -3.029 6.098 1.00 0.00 C ATOM 970 O LEU A 64 81.867 -4.210 5.838 1.00 0.00 O ATOM 971 CB LEU A 64 80.861 -2.658 8.227 1.00 0.00 C ATOM 972 CG LEU A 64 82.162 -2.581 9.047 1.00 0.00 C ATOM 973 CD1 LEU A 64 82.578 -1.117 9.265 1.00 0.00 C ATOM 974 CD2 LEU A 64 81.927 -3.258 10.403 1.00 0.00 C ATOM 0 H LEU A 64 79.292 -3.042 6.126 1.00 0.00 H new ATOM 0 HA LEU A 64 81.457 -1.120 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.084 -2.069 8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.508 -3.689 8.196 1.00 0.00 H new ATOM 0 HG LEU A 64 82.961 -3.087 8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 64 83.499 -1.083 9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 64 82.740 -0.637 8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.790 -0.591 9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 64 82.840 -3.212 10.996 1.00 0.00 H new ATOM 0 HD22 LEU A 64 81.124 -2.744 10.932 1.00 0.00 H new ATOM 0 HD23 LEU A 64 81.649 -4.300 10.246 1.00 0.00 H new ATOM 986 N LEU A 65 83.291 -2.450 5.840 1.00 0.00 N ATOM 987 CA LEU A 65 84.408 -3.179 5.222 1.00 0.00 C ATOM 988 C LEU A 65 85.516 -3.321 6.270 1.00 0.00 C ATOM 989 O LEU A 65 85.360 -2.825 7.390 1.00 0.00 O ATOM 990 CB LEU A 65 84.927 -2.433 3.980 1.00 0.00 C ATOM 991 CG LEU A 65 84.089 -2.808 2.743 1.00 0.00 C ATOM 992 CD1 LEU A 65 82.636 -2.337 2.919 1.00 0.00 C ATOM 993 CD2 LEU A 65 84.694 -2.145 1.499 1.00 0.00 C ATOM 0 H LEU A 65 83.497 -1.473 6.050 1.00 0.00 H new ATOM 0 HA LEU A 65 84.075 -4.163 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 65 84.880 -1.357 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.974 -2.683 3.808 1.00 0.00 H new ATOM 0 HG LEU A 65 84.096 -3.892 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 65 82.056 -2.609 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 65 82.203 -2.813 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 65 82.617 -1.255 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 65 84.103 -2.409 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 65 84.691 -1.062 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 65 85.718 -2.492 1.364 1.00 0.00 H new ATOM 1005 N LYS A 66 86.651 -3.924 5.904 1.00 0.00 N ATOM 1006 CA LYS A 66 87.771 -4.066 6.841 1.00 0.00 C ATOM 1007 C LYS A 66 89.081 -4.280 6.081 1.00 0.00 C ATOM 1008 O LYS A 66 89.082 -4.413 4.857 1.00 0.00 O ATOM 1009 CB LYS A 66 87.557 -5.252 7.796 1.00 0.00 C ATOM 1010 CG LYS A 66 86.436 -4.940 8.796 1.00 0.00 C ATOM 1011 CD LYS A 66 86.454 -5.973 9.932 1.00 0.00 C ATOM 1012 CE LYS A 66 86.074 -7.354 9.394 1.00 0.00 C ATOM 1013 NZ LYS A 66 85.775 -8.268 10.535 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.819 -4.317 4.978 1.00 0.00 H new ATOM 0 HA LYS A 66 87.823 -3.146 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 66 87.305 -6.146 7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.482 -5.467 8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.566 -3.937 9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 66 85.470 -4.957 8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 66 87.445 -6.011 10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 66 85.757 -5.675 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 66 85.205 -7.275 8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 66 86.889 -7.759 8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 86.319 -9.148 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 86.039 -7.806 11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 84.759 -8.488 10.546 1.00 0.00 H new ATOM 1027 N ASN A 67 90.187 -4.350 6.831 1.00 0.00 N ATOM 1028 CA ASN A 67 91.511 -4.593 6.242 1.00 0.00 C ATOM 1029 C ASN A 67 91.623 -3.950 4.864 1.00 0.00 C ATOM 1030 O ASN A 67 92.021 -4.600 3.903 1.00 0.00 O ATOM 1031 CB ASN A 67 91.783 -6.092 6.119 1.00 0.00 C ATOM 1032 CG ASN A 67 93.247 -6.315 5.756 1.00 0.00 C ATOM 1033 OD1 ASN A 67 94.123 -5.606 6.251 1.00 0.00 O ATOM 1034 ND2 ASN A 67 93.567 -7.259 4.914 1.00 0.00 N ATOM 0 H ASN A 67 90.193 -4.242 7.845 1.00 0.00 H new ATOM 0 HA ASN A 67 92.250 -4.145 6.906 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.550 -6.593 7.059 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.138 -6.528 5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 67 94.544 -7.410 4.665 1.00 0.00 H new ATOM 0 HD22 ASN A 67 92.840 -7.846 4.505 1.00 0.00 H new ATOM 1041 N LEU A 68 91.206 -2.701 4.760 1.00 0.00 N ATOM 1042 CA LEU A 68 91.200 -2.023 3.469 1.00 0.00 C ATOM 1043 C LEU A 68 92.582 -1.917 2.830 1.00 0.00 C ATOM 1044 O LEU A 68 93.450 -1.191 3.304 1.00 0.00 O ATOM 1045 CB LEU A 68 90.622 -0.621 3.620 1.00 0.00 C ATOM 1046 CG LEU A 68 89.146 -0.699 4.027 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.635 0.707 4.367 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.297 -1.294 2.881 1.00 0.00 C ATOM 0 H LEU A 68 90.870 -2.138 5.542 1.00 0.00 H new ATOM 0 HA LEU A 68 90.583 -2.634 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.185 -0.066 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.720 -0.076 2.681 1.00 0.00 H new ATOM 0 HG LEU A 68 89.057 -1.346 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.586 0.653 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 68 89.218 1.117 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.738 1.352 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.252 -1.341 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.386 -0.663 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.652 -2.298 2.648 1.00 0.00 H new ATOM 1060 N ARG A 69 92.748 -2.614 1.706 1.00 0.00 N ATOM 1061 CA ARG A 69 94.001 -2.568 0.951 1.00 0.00 C ATOM 1062 C ARG A 69 93.922 -1.406 -0.036 1.00 0.00 C ATOM 1063 O ARG A 69 92.829 -0.974 -0.394 1.00 0.00 O ATOM 1064 CB ARG A 69 94.230 -3.894 0.174 1.00 0.00 C ATOM 1065 CG ARG A 69 92.888 -4.623 -0.060 1.00 0.00 C ATOM 1066 CD ARG A 69 92.523 -5.513 1.149 1.00 0.00 C ATOM 1067 NE ARG A 69 92.718 -6.921 0.798 1.00 0.00 N ATOM 1068 CZ ARG A 69 93.138 -7.811 1.695 1.00 0.00 C ATOM 1069 NH1 ARG A 69 92.298 -8.318 2.555 1.00 0.00 N1+ ATOM 1070 NH2 ARG A 69 94.390 -8.180 1.709 1.00 0.00 N ATOM 0 H ARG A 69 92.033 -3.216 1.299 1.00 0.00 H new ATOM 0 HA ARG A 69 94.833 -2.433 1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 69 94.708 -3.684 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 69 94.908 -4.538 0.734 1.00 0.00 H new ATOM 0 HG2 ARG A 69 92.098 -3.892 -0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 69 92.954 -5.235 -0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 69 93.144 -5.252 2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 69 91.487 -5.340 1.441 1.00 0.00 H new ATOM 0 HE ARG A 69 92.528 -7.227 -0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 69 91.319 -8.033 2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 69 92.620 -9.000 3.242 1.00 0.00 H new ATOM 0 HH21 ARG A 69 95.045 -7.787 1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 69 94.713 -8.862 2.396 1.00 0.00 H new ATOM 1084 N PRO A 70 95.036 -0.899 -0.490 1.00 0.00 N ATOM 1085 CA PRO A 70 95.031 0.222 -1.466 1.00 0.00 C ATOM 1086 C PRO A 70 94.133 -0.144 -2.646 1.00 0.00 C ATOM 1087 O PRO A 70 93.432 0.696 -3.211 1.00 0.00 O ATOM 1088 CB PRO A 70 96.507 0.365 -1.913 1.00 0.00 C ATOM 1089 CG PRO A 70 97.291 -0.720 -1.208 1.00 0.00 C ATOM 1090 CD PRO A 70 96.391 -1.322 -0.121 1.00 0.00 C ATOM 0 HA PRO A 70 94.650 1.154 -1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.594 0.262 -2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.894 1.350 -1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.600 -1.489 -1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 70 98.199 -0.309 -0.767 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.474 -2.408 -0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.665 -0.957 0.869 1.00 0.00 H new ATOM 1098 N GLN A 71 94.208 -1.416 -3.017 1.00 0.00 N ATOM 1099 CA GLN A 71 93.451 -1.931 -4.147 1.00 0.00 C ATOM 1100 C GLN A 71 91.978 -1.556 -4.037 1.00 0.00 C ATOM 1101 O GLN A 71 91.350 -1.215 -5.040 1.00 0.00 O ATOM 1102 CB GLN A 71 93.581 -3.459 -4.198 1.00 0.00 C ATOM 1103 CG GLN A 71 92.915 -4.005 -5.469 1.00 0.00 C ATOM 1104 CD GLN A 71 93.688 -3.545 -6.700 1.00 0.00 C ATOM 1105 OE1 GLN A 71 94.916 -3.468 -6.670 1.00 0.00 O ATOM 1106 NE2 GLN A 71 93.040 -3.238 -7.790 1.00 0.00 N ATOM 0 H GLN A 71 94.789 -2.111 -2.548 1.00 0.00 H new ATOM 0 HA GLN A 71 93.854 -1.489 -5.058 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.633 -3.743 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.116 -3.901 -3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 71 92.884 -5.094 -5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 71 91.883 -3.659 -5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 71 92.022 -3.302 -7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 71 93.551 -2.934 -8.619 1.00 0.00 H new ATOM 1115 N ASP A 72 91.405 -1.667 -2.845 1.00 0.00 N ATOM 1116 CA ASP A 72 89.987 -1.389 -2.676 1.00 0.00 C ATOM 1117 C ASP A 72 89.554 -0.127 -3.412 1.00 0.00 C ATOM 1118 O ASP A 72 88.430 -0.086 -3.915 1.00 0.00 O ATOM 1119 CB ASP A 72 89.652 -1.245 -1.190 1.00 0.00 C ATOM 1120 CG ASP A 72 90.361 -0.030 -0.605 1.00 0.00 C ATOM 1121 OD1 ASP A 72 91.231 0.504 -1.269 1.00 0.00 O ATOM 1122 OD2 ASP A 72 90.015 0.355 0.497 1.00 0.00 O1- ATOM 0 H ASP A 72 91.893 -1.944 -1.993 1.00 0.00 H new ATOM 0 HA ASP A 72 89.444 -2.231 -3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 72 88.574 -1.143 -1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 72 89.954 -2.144 -0.653 1.00 0.00 H new ATOM 1127 N SER A 73 90.411 0.905 -3.480 1.00 0.00 N ATOM 1128 CA SER A 73 90.039 2.145 -4.174 1.00 0.00 C ATOM 1129 C SER A 73 89.202 1.829 -5.409 1.00 0.00 C ATOM 1130 O SER A 73 89.726 1.482 -6.467 1.00 0.00 O ATOM 1131 CB SER A 73 91.298 2.917 -4.580 1.00 0.00 C ATOM 1132 OG SER A 73 91.786 2.412 -5.815 1.00 0.00 O ATOM 0 H SER A 73 91.346 0.906 -3.072 1.00 0.00 H new ATOM 0 HA SER A 73 89.447 2.760 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.072 3.979 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 73 92.062 2.820 -3.808 1.00 0.00 H new ATOM 0 HG SER A 73 91.299 1.595 -6.050 1.00 0.00 H new ATOM 1138 N CYS A 74 87.885 1.919 -5.242 1.00 0.00 N ATOM 1139 CA CYS A 74 86.950 1.607 -6.324 1.00 0.00 C ATOM 1140 C CYS A 74 85.745 2.544 -6.306 1.00 0.00 C ATOM 1141 O CYS A 74 85.784 3.617 -5.705 1.00 0.00 O ATOM 1142 CB CYS A 74 86.468 0.163 -6.176 1.00 0.00 C ATOM 1143 SG CYS A 74 85.404 0.036 -4.718 1.00 0.00 S ATOM 0 H CYS A 74 87.440 2.205 -4.370 1.00 0.00 H new ATOM 0 HA CYS A 74 87.471 1.738 -7.272 1.00 0.00 H new ATOM 0 HB2 CYS A 74 85.921 -0.143 -7.068 1.00 0.00 H new ATOM 0 HB3 CYS A 74 87.321 -0.509 -6.078 1.00 0.00 H new ATOM 0 HG CYS A 74 86.140 -0.081 -3.653 1.00 0.00 H new ATOM 1149 N ARG A 75 84.678 2.127 -6.988 1.00 0.00 N ATOM 1150 CA ARG A 75 83.454 2.925 -7.074 1.00 0.00 C ATOM 1151 C ARG A 75 82.353 2.362 -6.181 1.00 0.00 C ATOM 1152 O ARG A 75 82.083 1.163 -6.203 1.00 0.00 O ATOM 1153 CB ARG A 75 82.936 2.915 -8.512 1.00 0.00 C ATOM 1154 CG ARG A 75 81.796 3.925 -8.650 1.00 0.00 C ATOM 1155 CD ARG A 75 81.181 3.806 -10.038 1.00 0.00 C ATOM 1156 NE ARG A 75 80.461 2.541 -10.166 1.00 0.00 N ATOM 1157 CZ ARG A 75 79.911 2.173 -11.320 1.00 0.00 C ATOM 1158 NH1 ARG A 75 80.129 2.870 -12.401 1.00 0.00 N1+ ATOM 1159 NH2 ARG A 75 79.147 1.117 -11.369 1.00 0.00 N ATOM 0 H ARG A 75 84.636 1.240 -7.490 1.00 0.00 H new ATOM 0 HA ARG A 75 83.700 3.936 -6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 75 83.742 3.164 -9.202 1.00 0.00 H new ATOM 0 HB3 ARG A 75 82.586 1.917 -8.777 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.039 3.742 -7.888 1.00 0.00 H new ATOM 0 HG3 ARG A 75 82.170 4.936 -8.491 1.00 0.00 H new ATOM 0 HD2 ARG A 75 80.501 4.639 -10.215 1.00 0.00 H new ATOM 0 HD3 ARG A 75 81.962 3.866 -10.796 1.00 0.00 H new ATOM 0 HE ARG A 75 80.379 1.928 -9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 75 80.722 3.699 -12.362 1.00 0.00 H new ATOM 0 HH12 ARG A 75 79.706 2.586 -13.285 1.00 0.00 H new ATOM 0 HH21 ARG A 75 78.972 0.575 -10.523 1.00 0.00 H new ATOM 0 HH22 ARG A 75 78.725 0.834 -12.253 1.00 0.00 H new ATOM 1173 N VAL A 76 81.683 3.244 -5.433 1.00 0.00 N ATOM 1174 CA VAL A 76 80.567 2.830 -4.580 1.00 0.00 C ATOM 1175 C VAL A 76 79.260 3.320 -5.195 1.00 0.00 C ATOM 1176 O VAL A 76 78.992 4.522 -5.213 1.00 0.00 O ATOM 1177 CB VAL A 76 80.718 3.400 -3.168 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.636 2.797 -2.269 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.095 3.039 -2.609 1.00 0.00 C ATOM 0 H VAL A 76 81.892 4.242 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 76 80.563 1.742 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 76 80.615 4.485 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.736 3.198 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.652 3.050 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.748 1.713 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.198 3.447 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.200 1.955 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 76 82.870 3.458 -3.251 1.00 0.00 H new ATOM 1189 N THR A 77 78.457 2.388 -5.719 1.00 0.00 N ATOM 1190 CA THR A 77 77.185 2.742 -6.362 1.00 0.00 C ATOM 1191 C THR A 77 76.006 2.011 -5.715 1.00 0.00 C ATOM 1192 O THR A 77 76.016 0.788 -5.578 1.00 0.00 O ATOM 1193 CB THR A 77 77.259 2.380 -7.852 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.375 3.036 -8.436 1.00 0.00 O ATOM 1195 CG2 THR A 77 75.980 2.817 -8.575 1.00 0.00 C ATOM 0 H THR A 77 78.662 1.389 -5.711 1.00 0.00 H new ATOM 0 HA THR A 77 77.023 3.813 -6.238 1.00 0.00 H new ATOM 0 HB THR A 77 77.365 1.299 -7.948 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.133 3.362 -9.328 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.050 2.552 -9.630 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.121 2.314 -8.131 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.858 3.896 -8.479 1.00 0.00 H new ATOM 1203 N PHE A 78 74.989 2.784 -5.330 1.00 0.00 N ATOM 1204 CA PHE A 78 73.777 2.245 -4.701 1.00 0.00 C ATOM 1205 C PHE A 78 72.551 2.724 -5.480 1.00 0.00 C ATOM 1206 O PHE A 78 72.301 3.925 -5.567 1.00 0.00 O ATOM 1207 CB PHE A 78 73.700 2.735 -3.251 1.00 0.00 C ATOM 1208 CG PHE A 78 72.468 2.180 -2.564 1.00 0.00 C ATOM 1209 CD1 PHE A 78 72.339 0.799 -2.363 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.462 3.047 -2.111 1.00 0.00 C ATOM 1211 CE1 PHE A 78 71.209 0.285 -1.715 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.334 2.532 -1.459 1.00 0.00 C ATOM 1213 CZ PHE A 78 70.208 1.151 -1.261 1.00 0.00 C ATOM 0 H PHE A 78 74.980 3.798 -5.444 1.00 0.00 H new ATOM 0 HA PHE A 78 73.806 1.155 -4.710 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.594 2.427 -2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.674 3.825 -3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 78 73.113 0.130 -2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.557 4.112 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 78 71.110 -0.780 -1.566 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.561 3.200 -1.109 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.338 0.755 -0.758 1.00 0.00 H new ATOM 1223 N LEU A 79 71.803 1.786 -6.069 1.00 0.00 N ATOM 1224 CA LEU A 79 70.617 2.137 -6.869 1.00 0.00 C ATOM 1225 C LEU A 79 69.321 1.638 -6.232 1.00 0.00 C ATOM 1226 O LEU A 79 68.891 0.509 -6.466 1.00 0.00 O ATOM 1227 CB LEU A 79 70.762 1.546 -8.279 1.00 0.00 C ATOM 1228 CG LEU A 79 69.474 1.753 -9.092 1.00 0.00 C ATOM 1229 CD1 LEU A 79 69.041 3.220 -9.037 1.00 0.00 C ATOM 1230 CD2 LEU A 79 69.740 1.360 -10.546 1.00 0.00 C ATOM 0 H LEU A 79 71.992 0.785 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 79 70.558 3.224 -6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.601 2.017 -8.791 1.00 0.00 H new ATOM 0 HB3 LEU A 79 70.987 0.482 -8.211 1.00 0.00 H new ATOM 0 HG LEU A 79 68.680 1.136 -8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 79 68.128 3.352 -9.617 1.00 0.00 H new ATOM 0 HD12 LEU A 79 68.858 3.507 -8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.829 3.848 -9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.833 1.503 -11.133 1.00 0.00 H new ATOM 0 HD22 LEU A 79 70.537 1.984 -10.952 1.00 0.00 H new ATOM 0 HD23 LEU A 79 70.040 0.313 -10.591 1.00 0.00 H new ATOM 1242 N ALA A 80 68.702 2.499 -5.426 1.00 0.00 N ATOM 1243 CA ALA A 80 67.443 2.166 -4.752 1.00 0.00 C ATOM 1244 C ALA A 80 66.289 2.957 -5.364 1.00 0.00 C ATOM 1245 O ALA A 80 66.093 4.129 -5.045 1.00 0.00 O ATOM 1246 CB ALA A 80 67.549 2.498 -3.264 1.00 0.00 C ATOM 0 H ALA A 80 69.051 3.435 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 80 67.252 1.100 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.611 2.249 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.359 1.921 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.752 3.562 -3.142 1.00 0.00 H new ATOM 1252 N GLY A 81 65.524 2.310 -6.240 1.00 0.00 N ATOM 1253 CA GLY A 81 64.389 2.970 -6.882 1.00 0.00 C ATOM 1254 C GLY A 81 64.831 4.257 -7.571 1.00 0.00 C ATOM 1255 O GLY A 81 66.023 4.470 -7.788 1.00 0.00 O ATOM 0 H GLY A 81 65.666 1.340 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 81 63.937 2.298 -7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.624 3.194 -6.138 1.00 0.00 H new ATOM 1259 N ASP A 82 63.860 5.093 -7.949 1.00 0.00 N ATOM 1260 CA ASP A 82 64.132 6.352 -8.652 1.00 0.00 C ATOM 1261 C ASP A 82 65.155 7.247 -7.942 1.00 0.00 C ATOM 1262 O ASP A 82 65.291 8.418 -8.296 1.00 0.00 O ATOM 1263 CB ASP A 82 62.828 7.136 -8.807 1.00 0.00 C ATOM 1264 CG ASP A 82 63.057 8.331 -9.724 1.00 0.00 C ATOM 1265 OD1 ASP A 82 64.047 8.324 -10.436 1.00 0.00 O1- ATOM 1266 OD2 ASP A 82 62.237 9.234 -9.702 1.00 0.00 O ATOM 0 H ASP A 82 62.870 4.919 -7.778 1.00 0.00 H new ATOM 0 HA ASP A 82 64.558 6.078 -9.617 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.051 6.492 -9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 82 62.477 7.475 -7.832 1.00 0.00 H new ATOM 1271 N MET A 83 65.892 6.704 -6.975 1.00 0.00 N ATOM 1272 CA MET A 83 66.916 7.480 -6.269 1.00 0.00 C ATOM 1273 C MET A 83 68.261 6.780 -6.394 1.00 0.00 C ATOM 1274 O MET A 83 68.373 5.581 -6.141 1.00 0.00 O ATOM 1275 CB MET A 83 66.545 7.648 -4.788 1.00 0.00 C ATOM 1276 CG MET A 83 65.023 7.877 -4.632 1.00 0.00 C ATOM 1277 SD MET A 83 64.225 6.344 -4.088 1.00 0.00 S ATOM 1278 CE MET A 83 64.619 6.498 -2.327 1.00 0.00 C ATOM 0 H MET A 83 65.802 5.737 -6.662 1.00 0.00 H new ATOM 0 HA MET A 83 66.979 8.470 -6.720 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.844 6.761 -4.229 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.091 8.491 -4.364 1.00 0.00 H new ATOM 0 HG2 MET A 83 64.838 8.671 -3.909 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.596 8.204 -5.580 1.00 0.00 H new ATOM 0 HE1 MET A 83 65.076 5.574 -1.974 1.00 0.00 H new ATOM 0 HE2 MET A 83 65.314 7.325 -2.181 1.00 0.00 H new ATOM 0 HE3 MET A 83 63.705 6.688 -1.765 1.00 0.00 H new ATOM 1288 N VAL A 84 69.281 7.536 -6.791 1.00 0.00 N ATOM 1289 CA VAL A 84 70.623 6.979 -6.959 1.00 0.00 C ATOM 1290 C VAL A 84 71.649 7.820 -6.199 1.00 0.00 C ATOM 1291 O VAL A 84 71.723 9.036 -6.361 1.00 0.00 O ATOM 1292 CB VAL A 84 70.965 6.929 -8.453 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.733 8.300 -9.090 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.427 6.512 -8.643 1.00 0.00 C ATOM 0 H VAL A 84 69.206 8.531 -7.002 1.00 0.00 H new ATOM 0 HA VAL A 84 70.649 5.968 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 84 70.319 6.197 -8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 84 70.979 8.254 -10.151 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.687 8.584 -8.971 1.00 0.00 H new ATOM 0 HG13 VAL A 84 71.367 9.040 -8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.661 6.479 -9.707 1.00 0.00 H new ATOM 0 HG22 VAL A 84 73.078 7.234 -8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.584 5.526 -8.207 1.00 0.00 H new ATOM 1304 N THR A 85 72.438 7.140 -5.369 1.00 0.00 N ATOM 1305 CA THR A 85 73.482 7.782 -4.562 1.00 0.00 C ATOM 1306 C THR A 85 74.832 7.154 -4.913 1.00 0.00 C ATOM 1307 O THR A 85 74.931 5.935 -5.032 1.00 0.00 O ATOM 1308 CB THR A 85 73.181 7.570 -3.065 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.815 6.380 -2.627 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.669 7.438 -2.856 1.00 0.00 C ATOM 0 H THR A 85 72.374 6.131 -5.235 1.00 0.00 H new ATOM 0 HA THR A 85 73.508 8.852 -4.770 1.00 0.00 H new ATOM 0 HB THR A 85 73.553 8.422 -2.497 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.379 6.059 -1.810 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.460 7.288 -1.797 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.174 8.346 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.296 6.585 -3.424 1.00 0.00 H new ATOM 1318 N SER A 86 75.871 7.971 -5.100 1.00 0.00 N ATOM 1319 CA SER A 86 77.189 7.428 -5.461 1.00 0.00 C ATOM 1320 C SER A 86 78.325 8.282 -4.901 1.00 0.00 C ATOM 1321 O SER A 86 78.308 9.507 -5.022 1.00 0.00 O ATOM 1322 CB SER A 86 77.312 7.365 -6.984 1.00 0.00 C ATOM 1323 OG SER A 86 78.597 6.867 -7.332 1.00 0.00 O ATOM 0 H SER A 86 75.833 8.986 -5.011 1.00 0.00 H new ATOM 0 HA SER A 86 77.270 6.430 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 86 76.536 6.721 -7.397 1.00 0.00 H new ATOM 0 HB3 SER A 86 77.165 8.356 -7.413 1.00 0.00 H new ATOM 0 HG SER A 86 78.834 6.127 -6.735 1.00 0.00 H new ATOM 1329 N ALA A 87 79.310 7.626 -4.274 1.00 0.00 N ATOM 1330 CA ALA A 87 80.449 8.338 -3.680 1.00 0.00 C ATOM 1331 C ALA A 87 81.760 7.588 -3.906 1.00 0.00 C ATOM 1332 O ALA A 87 81.777 6.371 -4.088 1.00 0.00 O ATOM 1333 CB ALA A 87 80.236 8.501 -2.181 1.00 0.00 C ATOM 0 H ALA A 87 79.342 6.612 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 87 80.513 9.312 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.085 9.030 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.324 9.071 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.146 7.519 -1.717 1.00 0.00 H new ATOM 1339 N PHE A 88 82.851 8.348 -3.932 1.00 0.00 N ATOM 1340 CA PHE A 88 84.180 7.796 -4.179 1.00 0.00 C ATOM 1341 C PHE A 88 84.749 7.050 -2.962 1.00 0.00 C ATOM 1342 O PHE A 88 84.405 7.337 -1.808 1.00 0.00 O ATOM 1343 CB PHE A 88 85.119 8.943 -4.562 1.00 0.00 C ATOM 1344 CG PHE A 88 84.645 9.565 -5.856 1.00 0.00 C ATOM 1345 CD1 PHE A 88 84.991 8.986 -7.081 1.00 0.00 C ATOM 1346 CD2 PHE A 88 83.851 10.721 -5.830 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.547 9.559 -8.279 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.407 11.292 -7.029 1.00 0.00 C ATOM 1349 CZ PHE A 88 83.755 10.712 -8.253 1.00 0.00 C ATOM 0 H PHE A 88 82.840 9.357 -3.784 1.00 0.00 H new ATOM 0 HA PHE A 88 84.097 7.068 -4.986 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.138 9.692 -3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.138 8.572 -4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.602 8.095 -7.103 1.00 0.00 H new ATOM 0 HD2 PHE A 88 83.582 11.171 -4.886 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.816 9.111 -9.224 1.00 0.00 H new ATOM 0 HE2 PHE A 88 82.795 12.182 -7.008 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.413 11.154 -9.177 1.00 0.00 H new ATOM 1359 N LEU A 89 85.662 6.114 -3.253 1.00 0.00 N ATOM 1360 CA LEU A 89 86.350 5.318 -2.227 1.00 0.00 C ATOM 1361 C LEU A 89 87.826 5.709 -2.261 1.00 0.00 C ATOM 1362 O LEU A 89 88.456 5.653 -3.316 1.00 0.00 O ATOM 1363 CB LEU A 89 86.192 3.813 -2.545 1.00 0.00 C ATOM 1364 CG LEU A 89 86.437 2.918 -1.301 1.00 0.00 C ATOM 1365 CD1 LEU A 89 87.768 3.259 -0.617 1.00 0.00 C ATOM 1366 CD2 LEU A 89 85.290 3.074 -0.287 1.00 0.00 C ATOM 0 H LEU A 89 85.945 5.887 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 89 85.928 5.505 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.189 3.629 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.892 3.535 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 89 86.478 1.886 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.907 2.613 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 89 88.588 3.106 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 89 87.756 4.300 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 89 85.480 2.439 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.227 4.114 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 89 84.350 2.780 -0.753 1.00 0.00 H new ATOM 1378 N THR A 90 88.380 6.109 -1.119 1.00 0.00 N ATOM 1379 CA THR A 90 89.789 6.509 -1.060 1.00 0.00 C ATOM 1380 C THR A 90 90.482 5.907 0.154 1.00 0.00 C ATOM 1381 O THR A 90 90.099 6.175 1.292 1.00 0.00 O ATOM 1382 CB THR A 90 89.887 8.036 -0.991 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.244 8.598 -2.127 1.00 0.00 O ATOM 1384 CG2 THR A 90 91.357 8.465 -0.976 1.00 0.00 C ATOM 0 H THR A 90 87.884 6.166 -0.230 1.00 0.00 H new ATOM 0 HA THR A 90 90.284 6.141 -1.959 1.00 0.00 H new ATOM 0 HB THR A 90 89.403 8.387 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 90 89.303 9.575 -2.086 1.00 0.00 H new ATOM 0 HG21 THR A 90 91.418 9.552 -0.927 1.00 0.00 H new ATOM 0 HG22 THR A 90 91.853 8.034 -0.106 1.00 0.00 H new ATOM 0 HG23 THR A 90 91.848 8.115 -1.884 1.00 0.00 H new ATOM 1392 N VAL A 91 91.529 5.120 -0.093 1.00 0.00 N ATOM 1393 CA VAL A 91 92.296 4.518 1.000 1.00 0.00 C ATOM 1394 C VAL A 91 93.784 4.505 0.673 1.00 0.00 C ATOM 1395 O VAL A 91 94.186 4.117 -0.425 1.00 0.00 O ATOM 1396 CB VAL A 91 91.818 3.084 1.259 1.00 0.00 C ATOM 1397 CG1 VAL A 91 92.809 2.363 2.190 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.439 3.126 1.920 1.00 0.00 C ATOM 0 H VAL A 91 91.863 4.886 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 91 92.136 5.120 1.895 1.00 0.00 H new ATOM 0 HB VAL A 91 91.759 2.546 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.464 1.345 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 91 93.793 2.335 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.873 2.898 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.094 2.109 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.505 3.666 2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 91 89.735 3.633 1.260 1.00 0.00 H new ATOM 1408 N ARG A 92 94.595 4.949 1.627 1.00 0.00 N ATOM 1409 CA ARG A 92 96.036 5.005 1.427 1.00 0.00 C ATOM 1410 C ARG A 92 96.650 3.616 1.520 1.00 0.00 C ATOM 1411 O ARG A 92 96.040 2.691 2.053 1.00 0.00 O ATOM 1412 CB ARG A 92 96.664 5.904 2.491 1.00 0.00 C ATOM 1413 CG ARG A 92 96.136 7.331 2.335 1.00 0.00 C ATOM 1414 CD ARG A 92 96.754 8.221 3.414 1.00 0.00 C ATOM 1415 NE ARG A 92 96.263 7.831 4.731 1.00 0.00 N ATOM 1416 CZ ARG A 92 96.775 8.361 5.838 1.00 0.00 C ATOM 1417 NH1 ARG A 92 96.272 9.460 6.330 1.00 0.00 N1+ ATOM 1418 NH2 ARG A 92 97.785 7.783 6.431 1.00 0.00 N ATOM 0 H ARG A 92 94.280 5.273 2.541 1.00 0.00 H new ATOM 0 HA ARG A 92 96.231 5.408 0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.429 5.525 3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 92 97.750 5.895 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 92 96.382 7.716 1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 92 95.049 7.340 2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 92 97.841 8.140 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 92 96.507 9.265 3.220 1.00 0.00 H new ATOM 0 HE ARG A 92 95.515 7.141 4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 92 95.485 9.913 5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 92 96.666 9.866 7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 92 98.181 6.926 6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 92 98.178 8.189 7.280 1.00 0.00 H new ATOM 1432 N GLY A 93 97.865 3.480 0.988 1.00 0.00 N ATOM 1433 CA GLY A 93 98.577 2.201 0.999 1.00 0.00 C ATOM 1434 C GLY A 93 99.975 2.364 1.586 1.00 0.00 C ATOM 1435 O GLY A 93 100.246 3.316 2.317 1.00 0.00 O ATOM 0 H GLY A 93 98.378 4.241 0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 93 98.015 1.472 1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 93 98.647 1.810 -0.016 1.00 0.00 H new ATOM 1439 N GLY A 94 100.860 1.428 1.256 1.00 0.00 N ATOM 1440 CA GLY A 94 102.235 1.471 1.749 1.00 0.00 C ATOM 1441 C GLY A 94 103.173 0.753 0.787 1.00 0.00 C ATOM 1442 O GLY A 94 104.103 1.352 0.245 1.00 0.00 O ATOM 0 H GLY A 94 100.652 0.633 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 94 102.552 2.507 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 94 102.289 1.005 2.733 1.00 0.00 H new ATOM 1446 N LEU A 95 102.917 -0.533 0.572 1.00 0.00 N ATOM 1447 CA LEU A 95 103.739 -1.323 -0.336 1.00 0.00 C ATOM 1448 C LEU A 95 103.321 -1.048 -1.779 1.00 0.00 C ATOM 1449 O LEU A 95 102.132 -0.913 -2.074 1.00 0.00 O ATOM 1450 CB LEU A 95 103.574 -2.817 -0.018 1.00 0.00 C ATOM 1451 CG LEU A 95 104.416 -3.183 1.212 1.00 0.00 C ATOM 1452 CD1 LEU A 95 103.951 -2.362 2.420 1.00 0.00 C ATOM 1453 CD2 LEU A 95 104.252 -4.677 1.516 1.00 0.00 C ATOM 0 H LEU A 95 102.153 -1.047 1.011 1.00 0.00 H new ATOM 0 HA LEU A 95 104.785 -1.046 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 95 102.524 -3.045 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 95 103.884 -3.417 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 95 105.464 -2.964 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 95 104.551 -2.625 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 95 104.069 -1.300 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 95 102.902 -2.577 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 95 104.850 -4.938 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 95 103.203 -4.895 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 95 104.587 -5.262 0.659 1.00 0.00 H new ATOM 1465 N GLU A 96 104.300 -0.960 -2.676 1.00 0.00 N ATOM 1466 CA GLU A 96 104.007 -0.694 -4.082 1.00 0.00 C ATOM 1467 C GLU A 96 103.498 -1.955 -4.773 1.00 0.00 C ATOM 1468 O GLU A 96 102.850 -1.881 -5.815 1.00 0.00 O ATOM 1469 CB GLU A 96 105.263 -0.189 -4.802 1.00 0.00 C ATOM 1470 CG GLU A 96 105.596 1.231 -4.337 1.00 0.00 C ATOM 1471 CD GLU A 96 106.908 1.691 -4.965 1.00 0.00 C ATOM 1472 OE1 GLU A 96 107.464 0.935 -5.746 1.00 0.00 O1- ATOM 1473 OE2 GLU A 96 107.337 2.792 -4.659 1.00 0.00 O ATOM 0 H GLU A 96 105.291 -1.067 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 96 103.233 0.072 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 96 106.102 -0.854 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 96 105.104 -0.200 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 96 104.792 1.912 -4.615 1.00 0.00 H new ATOM 0 HG3 GLU A 96 105.674 1.258 -3.250 1.00 0.00 H new ATOM 1480 N HIS A 97 103.784 -3.110 -4.179 1.00 0.00 N ATOM 1481 CA HIS A 97 103.342 -4.387 -4.742 1.00 0.00 C ATOM 1482 C HIS A 97 103.116 -5.411 -3.634 1.00 0.00 C ATOM 1483 O HIS A 97 103.587 -5.238 -2.510 1.00 0.00 O ATOM 1484 CB HIS A 97 104.386 -4.931 -5.718 1.00 0.00 C ATOM 1485 CG HIS A 97 104.616 -3.943 -6.830 1.00 0.00 C ATOM 1486 ND1 HIS A 97 103.677 -3.711 -7.823 1.00 0.00 N ATOM 1487 CD2 HIS A 97 105.683 -3.133 -7.128 1.00 0.00 C ATOM 1488 CE1 HIS A 97 104.194 -2.795 -8.663 1.00 0.00 C ATOM 1489 NE2 HIS A 97 105.415 -2.409 -8.286 1.00 0.00 N ATOM 0 H HIS A 97 104.317 -3.191 -3.313 1.00 0.00 H new ATOM 0 HA HIS A 97 102.405 -4.214 -5.271 1.00 0.00 H new ATOM 0 HB2 HIS A 97 105.321 -5.124 -5.193 1.00 0.00 H new ATOM 0 HB3 HIS A 97 104.050 -5.883 -6.130 1.00 0.00 H new ATOM 0 HD2 HIS A 97 106.593 -3.067 -6.551 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.683 -2.418 -9.536 1.00 0.00 H new ATOM 0 HE2 HIS A 97 106.021 -1.730 -8.747 1.00 0.00 H new ATOM 1497 N HIS A 98 102.404 -6.483 -3.966 1.00 0.00 N ATOM 1498 CA HIS A 98 102.126 -7.546 -3.001 1.00 0.00 C ATOM 1499 C HIS A 98 101.989 -8.883 -3.727 1.00 0.00 C ATOM 1500 O HIS A 98 101.441 -8.945 -4.828 1.00 0.00 O ATOM 1501 CB HIS A 98 100.835 -7.236 -2.237 1.00 0.00 C ATOM 1502 CG HIS A 98 99.696 -7.088 -3.209 1.00 0.00 C ATOM 1503 ND1 HIS A 98 99.542 -5.961 -4.002 1.00 0.00 N ATOM 1504 CD2 HIS A 98 98.644 -7.912 -3.523 1.00 0.00 C ATOM 1505 CE1 HIS A 98 98.435 -6.137 -4.746 1.00 0.00 C ATOM 1506 NE2 HIS A 98 97.849 -7.309 -4.493 1.00 0.00 N ATOM 0 H HIS A 98 102.009 -6.640 -4.893 1.00 0.00 H new ATOM 0 HA HIS A 98 102.952 -7.606 -2.293 1.00 0.00 H new ATOM 0 HB2 HIS A 98 100.619 -8.035 -1.528 1.00 0.00 H new ATOM 0 HB3 HIS A 98 100.954 -6.320 -1.658 1.00 0.00 H new ATOM 0 HD2 HIS A 98 98.461 -8.882 -3.084 1.00 0.00 H new ATOM 0 HE1 HIS A 98 98.065 -5.417 -5.461 1.00 0.00 H new ATOM 0 HE2 HIS A 98 97.001 -7.682 -4.919 1.00 0.00 H new ATOM 1514 N HIS A 99 102.489 -9.953 -3.104 1.00 0.00 N ATOM 1515 CA HIS A 99 102.422 -11.294 -3.698 1.00 0.00 C ATOM 1516 C HIS A 99 101.508 -12.197 -2.876 1.00 0.00 C ATOM 1517 O HIS A 99 101.505 -13.417 -3.044 1.00 0.00 O ATOM 1518 CB HIS A 99 103.822 -11.906 -3.764 1.00 0.00 C ATOM 1519 CG HIS A 99 103.777 -13.181 -4.565 1.00 0.00 C ATOM 1520 ND1 HIS A 99 103.875 -14.430 -3.973 1.00 0.00 N ATOM 1521 CD2 HIS A 99 103.644 -13.416 -5.913 1.00 0.00 C ATOM 1522 CE1 HIS A 99 103.802 -15.351 -4.953 1.00 0.00 C ATOM 1523 NE2 HIS A 99 103.660 -14.786 -6.155 1.00 0.00 N ATOM 0 H HIS A 99 102.944 -9.919 -2.191 1.00 0.00 H new ATOM 0 HA HIS A 99 102.017 -11.206 -4.706 1.00 0.00 H new ATOM 0 HB2 HIS A 99 104.517 -11.202 -4.221 1.00 0.00 H new ATOM 0 HB3 HIS A 99 104.189 -12.109 -2.758 1.00 0.00 H new ATOM 0 HD2 HIS A 99 103.542 -12.652 -6.670 1.00 0.00 H new ATOM 0 HE1 HIS A 99 103.852 -16.417 -4.787 1.00 0.00 H new ATOM 0 HE2 HIS A 99 103.580 -15.257 -7.056 1.00 0.00 H new ATOM 1531 N HIS A 100 100.726 -11.586 -1.988 1.00 0.00 N ATOM 1532 CA HIS A 100 99.796 -12.335 -1.141 1.00 0.00 C ATOM 1533 C HIS A 100 98.378 -12.206 -1.686 1.00 0.00 C ATOM 1534 O HIS A 100 97.767 -11.141 -1.606 1.00 0.00 O ATOM 1535 CB HIS A 100 99.843 -11.790 0.288 1.00 0.00 C ATOM 1536 CG HIS A 100 98.854 -12.536 1.140 1.00 0.00 C ATOM 1537 ND1 HIS A 100 99.076 -13.839 1.556 1.00 0.00 N ATOM 1538 CD2 HIS A 100 97.635 -12.178 1.660 1.00 0.00 C ATOM 1539 CE1 HIS A 100 98.014 -14.216 2.292 1.00 0.00 C ATOM 1540 NE2 HIS A 100 97.106 -13.241 2.387 1.00 0.00 N ATOM 0 H HIS A 100 100.717 -10.578 -1.836 1.00 0.00 H new ATOM 0 HA HIS A 100 100.087 -13.385 -1.139 1.00 0.00 H new ATOM 0 HB2 HIS A 100 100.847 -11.899 0.698 1.00 0.00 H new ATOM 0 HB3 HIS A 100 99.611 -10.725 0.291 1.00 0.00 H new ATOM 0 HD2 HIS A 100 97.159 -11.218 1.526 1.00 0.00 H new ATOM 0 HE1 HIS A 100 97.909 -15.188 2.750 1.00 0.00 H new ATOM 0 HE2 HIS A 100 96.216 -13.269 2.885 1.00 0.00 H new ATOM 1548 N HIS A 101 97.860 -13.294 -2.248 1.00 0.00 N ATOM 1549 CA HIS A 101 96.510 -13.283 -2.810 1.00 0.00 C ATOM 1550 C HIS A 101 96.278 -12.016 -3.628 1.00 0.00 C ATOM 1551 O HIS A 101 95.762 -11.023 -3.117 1.00 0.00 O ATOM 1552 CB HIS A 101 95.474 -13.362 -1.688 1.00 0.00 C ATOM 1553 CG HIS A 101 95.527 -14.723 -1.054 1.00 0.00 C ATOM 1554 ND1 HIS A 101 96.338 -14.999 0.035 1.00 0.00 N ATOM 1555 CD2 HIS A 101 94.875 -15.895 -1.343 1.00 0.00 C ATOM 1556 CE1 HIS A 101 96.156 -16.292 0.358 1.00 0.00 C ATOM 1557 NE2 HIS A 101 95.274 -16.886 -0.451 1.00 0.00 N ATOM 0 H HIS A 101 98.347 -14.187 -2.327 1.00 0.00 H new ATOM 0 HA HIS A 101 96.405 -14.149 -3.464 1.00 0.00 H new ATOM 0 HB2 HIS A 101 95.671 -12.593 -0.941 1.00 0.00 H new ATOM 0 HB3 HIS A 101 94.477 -13.172 -2.085 1.00 0.00 H new ATOM 0 HD2 HIS A 101 94.160 -16.028 -2.142 1.00 0.00 H new ATOM 0 HE1 HIS A 101 96.661 -16.790 1.172 1.00 0.00 H new ATOM 0 HE2 HIS A 101 94.961 -17.856 -0.421 1.00 0.00 H new ATOM 1565 N HIS A 102 96.662 -12.057 -4.899 1.00 0.00 N ATOM 1566 CA HIS A 102 96.491 -10.905 -5.775 1.00 0.00 C ATOM 1567 C HIS A 102 95.035 -10.772 -6.211 1.00 0.00 C ATOM 1568 O HIS A 102 94.803 -10.228 -7.278 1.00 0.00 O ATOM 1569 CB HIS A 102 97.383 -11.052 -7.009 1.00 0.00 C ATOM 1570 CG HIS A 102 96.946 -12.251 -7.805 1.00 0.00 C ATOM 1571 ND1 HIS A 102 97.259 -13.546 -7.423 1.00 0.00 N ATOM 1572 CD2 HIS A 102 96.220 -12.367 -8.963 1.00 0.00 C ATOM 1573 CE1 HIS A 102 96.726 -14.378 -8.337 1.00 0.00 C ATOM 1574 NE2 HIS A 102 96.082 -13.711 -9.298 1.00 0.00 N ATOM 1575 OXT HIS A 102 94.172 -11.215 -5.471 1.00 0.00 O ATOM 0 H HIS A 102 97.091 -12.869 -5.343 1.00 0.00 H new ATOM 0 HA HIS A 102 96.776 -10.009 -5.224 1.00 0.00 H new ATOM 0 HB2 HIS A 102 97.323 -10.153 -7.623 1.00 0.00 H new ATOM 0 HB3 HIS A 102 98.424 -11.163 -6.707 1.00 0.00 H new ATOM 0 HD2 HIS A 102 95.816 -11.541 -9.529 1.00 0.00 H new ATOM 0 HE1 HIS A 102 96.809 -15.454 -8.298 1.00 0.00 H new ATOM 0 HE2 HIS A 102 95.594 -14.102 -10.104 1.00 0.00 H new TER 1583 HIS A 102