USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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: X 10 TYR OH : rot -144:sc= 1.47 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -0.429 K(o=1,f=-4.3) USER MOD Single : X 4 LYS NZ :NH3+ -124:sc= 2.46 (180deg=-1.63) USER MOD Single : X 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 11 THR OG1 : rot 116:sc= -1.65! USER MOD Single : X 17 GLN : amide:sc= -0.156 K(o=-0.16,f=-3.7!) USER MOD Single : X 20 LYS NZ :NH3+ -156:sc= 1.31 (180deg=1.13) USER MOD Single : X 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 26 ASN :FLIP amide:sc= 0.295 F(o=-0.85,f=0.3) USER MOD Single : X 30 THR OG1 : rot -69:sc= -4.36! USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot -87:sc= 0.109 USER MOD Single : X 47 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-4.1!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 64 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : X 77 LYS NZ :NH3+ 145:sc= 1.24 (180deg=0.478) USER MOD Single : X 80 LYS NZ :NH3+ -174:sc= 0.964 (180deg=0.765) USER MOD Single : X 86 ASN : amide:sc= -3.86! C(o=-3.9!,f=-5.5!) USER MOD Single : X 88 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0124) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= 0.585 K(o=0.59,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 59.612 2.119 7.678 1.00 0.00 N ATOM 2 CA GLU X 2 59.353 3.548 7.515 1.00 0.00 C ATOM 3 C GLU X 2 60.536 4.224 6.865 1.00 0.00 C ATOM 4 O GLU X 2 61.591 3.613 6.707 1.00 0.00 O ATOM 5 CB GLU X 2 59.054 4.214 8.850 1.00 0.00 C ATOM 6 CG GLU X 2 60.124 3.996 9.892 1.00 0.00 C ATOM 7 CD GLU X 2 59.911 4.821 11.108 1.00 0.00 C ATOM 8 OE1 GLU X 2 59.037 4.505 11.912 1.00 0.00 O ATOM 9 OE2 GLU X 2 60.626 5.812 11.275 1.00 0.00 O ATOM 0 HA GLU X 2 58.477 3.654 6.875 1.00 0.00 H new ATOM 0 HB2 GLU X 2 58.927 5.285 8.691 1.00 0.00 H new ATOM 0 HB3 GLU X 2 58.106 3.834 9.231 1.00 0.00 H new ATOM 0 HG2 GLU X 2 60.145 2.943 10.171 1.00 0.00 H new ATOM 0 HG3 GLU X 2 61.098 4.232 9.463 1.00 0.00 H new ATOM 16 N LEU X 3 60.366 5.481 6.521 1.00 0.00 N ATOM 17 CA LEU X 3 61.393 6.256 5.879 1.00 0.00 C ATOM 18 C LEU X 3 61.962 7.286 6.798 1.00 0.00 C ATOM 19 O LEU X 3 61.240 7.903 7.598 1.00 0.00 O ATOM 20 CB LEU X 3 60.855 6.976 4.650 1.00 0.00 C ATOM 21 CG LEU X 3 60.511 6.116 3.450 1.00 0.00 C ATOM 22 CD1 LEU X 3 59.927 6.979 2.335 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.758 5.419 2.967 1.00 0.00 C ATOM 0 H LEU X 3 59.500 5.995 6.683 1.00 0.00 H new ATOM 0 HA LEU X 3 62.171 5.549 5.590 1.00 0.00 H new ATOM 0 HB2 LEU X 3 59.960 7.525 4.943 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.594 7.714 4.338 1.00 0.00 H new ATOM 0 HG LEU X 3 59.767 5.373 3.737 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.684 6.351 1.478 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.023 7.472 2.692 1.00 0.00 H new ATOM 0 HD13 LEU X 3 60.657 7.732 2.037 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.517 4.799 2.104 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.503 6.162 2.683 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.156 4.792 3.765 1.00 0.00 H new ATOM 35 N LYS X 4 63.237 7.456 6.716 1.00 0.00 N ATOM 36 CA LYS X 4 63.906 8.516 7.398 1.00 0.00 C ATOM 37 C LYS X 4 64.208 9.574 6.336 1.00 0.00 C ATOM 38 O LYS X 4 63.699 9.482 5.216 1.00 0.00 O ATOM 39 CB LYS X 4 65.223 8.026 8.024 1.00 0.00 C ATOM 40 CG LYS X 4 65.195 6.675 8.726 1.00 0.00 C ATOM 41 CD LYS X 4 64.006 6.462 9.604 1.00 0.00 C ATOM 42 CE LYS X 4 64.307 5.326 10.563 1.00 0.00 C ATOM 43 NZ LYS X 4 63.164 4.926 11.408 1.00 0.00 N ATOM 0 H LYS X 4 63.854 6.857 6.167 1.00 0.00 H new ATOM 0 HA LYS X 4 63.288 8.906 8.207 1.00 0.00 H new ATOM 0 HB2 LYS X 4 65.976 7.983 7.238 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.555 8.775 8.743 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.222 5.887 7.973 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.099 6.572 9.327 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.777 7.373 10.157 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.129 6.226 9.002 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.641 4.461 9.990 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.135 5.620 11.208 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.435 4.986 12.410 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.360 5.561 11.228 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.890 3.949 11.182 1.00 0.00 H new ATOM 57 N ASN X 5 64.987 10.567 6.656 1.00 0.00 N ATOM 58 CA ASN X 5 65.374 11.537 5.640 1.00 0.00 C ATOM 59 C ASN X 5 66.843 11.443 5.335 1.00 0.00 C ATOM 60 O ASN X 5 67.285 11.802 4.247 1.00 0.00 O ATOM 61 CB ASN X 5 64.974 12.976 5.987 1.00 0.00 C ATOM 62 CG ASN X 5 63.475 13.185 5.985 1.00 0.00 C ATOM 63 OD1 ASN X 5 62.810 13.078 7.029 1.00 0.00 O ATOM 64 ND2 ASN X 5 62.928 13.463 4.828 1.00 0.00 N ATOM 0 H ASN X 5 65.366 10.736 7.588 1.00 0.00 H new ATOM 0 HA ASN X 5 64.813 11.275 4.743 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.371 13.231 6.970 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.432 13.658 5.271 1.00 0.00 H new ATOM 0 HD21 ASN X 5 61.920 13.600 4.761 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.510 13.542 3.994 1.00 0.00 H new ATOM 71 N SER X 6 67.599 10.943 6.277 1.00 0.00 N ATOM 72 CA SER X 6 69.005 10.756 6.096 1.00 0.00 C ATOM 73 C SER X 6 69.401 9.377 6.598 1.00 0.00 C ATOM 74 O SER X 6 68.639 8.742 7.344 1.00 0.00 O ATOM 75 CB SER X 6 69.796 11.863 6.803 1.00 0.00 C ATOM 76 OG SER X 6 69.423 11.972 8.174 1.00 0.00 O ATOM 0 H SER X 6 67.251 10.655 7.192 1.00 0.00 H new ATOM 0 HA SER X 6 69.244 10.819 5.034 1.00 0.00 H new ATOM 0 HB2 SER X 6 70.863 11.654 6.730 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.623 12.814 6.300 1.00 0.00 H new ATOM 0 HG SER X 6 69.945 12.684 8.599 1.00 0.00 H new ATOM 82 N ILE X 7 70.592 8.930 6.225 1.00 0.00 N ATOM 83 CA ILE X 7 71.092 7.593 6.579 1.00 0.00 C ATOM 84 C ILE X 7 71.383 7.492 8.095 1.00 0.00 C ATOM 85 O ILE X 7 71.501 6.412 8.654 1.00 0.00 O ATOM 86 CB ILE X 7 72.391 7.272 5.765 1.00 0.00 C ATOM 87 CG1 ILE X 7 72.779 5.785 5.895 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.546 8.177 6.207 1.00 0.00 C ATOM 89 CD1 ILE X 7 74.002 5.384 5.088 1.00 0.00 C ATOM 0 H ILE X 7 71.246 9.479 5.667 1.00 0.00 H new ATOM 0 HA ILE X 7 70.320 6.865 6.329 1.00 0.00 H new ATOM 0 HB ILE X 7 72.184 7.471 4.713 1.00 0.00 H new ATOM 0 HG12 ILE X 7 72.962 5.560 6.946 1.00 0.00 H new ATOM 0 HG13 ILE X 7 71.934 5.172 5.580 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.438 7.937 5.629 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.275 9.220 6.041 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.747 8.019 7.267 1.00 0.00 H new ATOM 0 HD11 ILE X 7 74.204 4.323 5.237 1.00 0.00 H new ATOM 0 HD12 ILE X 7 73.818 5.574 4.030 1.00 0.00 H new ATOM 0 HD13 ILE X 7 74.862 5.967 5.417 1.00 0.00 H new ATOM 101 N SER X 8 71.394 8.628 8.751 1.00 0.00 N ATOM 102 CA SER X 8 71.789 8.722 10.126 1.00 0.00 C ATOM 103 C SER X 8 70.711 8.215 11.080 1.00 0.00 C ATOM 104 O SER X 8 71.004 7.883 12.226 1.00 0.00 O ATOM 105 CB SER X 8 72.188 10.159 10.427 1.00 0.00 C ATOM 106 OG SER X 8 73.246 10.556 9.558 1.00 0.00 O ATOM 0 H SER X 8 71.125 9.520 8.336 1.00 0.00 H new ATOM 0 HA SER X 8 72.647 8.070 10.288 1.00 0.00 H new ATOM 0 HB2 SER X 8 71.331 10.819 10.297 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.505 10.249 11.466 1.00 0.00 H new ATOM 0 HG SER X 8 73.499 11.482 9.753 1.00 0.00 H new ATOM 112 N ASP X 9 69.478 8.123 10.607 1.00 0.00 N ATOM 113 CA ASP X 9 68.395 7.629 11.461 1.00 0.00 C ATOM 114 C ASP X 9 68.097 6.196 11.076 1.00 0.00 C ATOM 115 O ASP X 9 67.232 5.536 11.636 1.00 0.00 O ATOM 116 CB ASP X 9 67.132 8.458 11.278 1.00 0.00 C ATOM 117 CG ASP X 9 66.190 8.381 12.469 1.00 0.00 C ATOM 118 OD1 ASP X 9 65.347 7.485 12.541 1.00 0.00 O ATOM 119 OD2 ASP X 9 66.293 9.246 13.367 1.00 0.00 O ATOM 0 H ASP X 9 69.200 8.376 9.659 1.00 0.00 H new ATOM 0 HA ASP X 9 68.708 7.700 12.503 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.409 9.498 11.108 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.608 8.118 10.385 1.00 0.00 H new ATOM 124 N TYR X 10 68.861 5.703 10.155 1.00 0.00 N ATOM 125 CA TYR X 10 68.638 4.394 9.628 1.00 0.00 C ATOM 126 C TYR X 10 69.507 3.432 10.333 1.00 0.00 C ATOM 127 O TYR X 10 70.731 3.535 10.250 1.00 0.00 O ATOM 128 CB TYR X 10 68.935 4.299 8.106 1.00 0.00 C ATOM 129 CG TYR X 10 67.773 4.608 7.181 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.754 3.680 7.002 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.693 5.804 6.485 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.688 3.934 6.165 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.624 6.072 5.648 1.00 0.00 C ATOM 134 CZ TYR X 10 65.627 5.129 5.496 1.00 0.00 C ATOM 135 OH TYR X 10 64.551 5.404 4.705 1.00 0.00 O ATOM 0 H TYR X 10 69.656 6.195 9.747 1.00 0.00 H new ATOM 0 HA TYR X 10 67.583 4.165 9.778 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.751 4.982 7.872 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.290 3.292 7.887 1.00 0.00 H new ATOM 0 HD1 TYR X 10 66.798 2.739 7.530 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.477 6.538 6.598 1.00 0.00 H new ATOM 0 HE1 TYR X 10 64.908 3.198 6.038 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.570 7.011 5.118 1.00 0.00 H new ATOM 0 HH TYR X 10 64.844 5.908 3.917 1.00 0.00 H new ATOM 145 N THR X 11 68.922 2.535 11.088 1.00 0.00 N ATOM 146 CA THR X 11 69.696 1.458 11.596 1.00 0.00 C ATOM 147 C THR X 11 69.921 0.580 10.403 1.00 0.00 C ATOM 148 O THR X 11 69.176 0.701 9.397 1.00 0.00 O ATOM 149 CB THR X 11 68.966 0.639 12.701 1.00 0.00 C ATOM 150 OG1 THR X 11 67.786 0.032 12.181 1.00 0.00 O ATOM 151 CG2 THR X 11 68.596 1.507 13.888 1.00 0.00 C ATOM 0 H THR X 11 67.937 2.537 11.353 1.00 0.00 H new ATOM 0 HA THR X 11 70.607 1.831 12.065 1.00 0.00 H new ATOM 0 HB THR X 11 69.659 -0.133 13.036 1.00 0.00 H new ATOM 0 HG1 THR X 11 67.878 -0.943 12.214 1.00 0.00 H new ATOM 0 HG21 THR X 11 68.088 0.900 14.638 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.500 1.937 14.320 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.934 2.308 13.560 1.00 0.00 H new ATOM 159 N GLU X 12 70.890 -0.266 10.447 1.00 0.00 N ATOM 160 CA GLU X 12 71.105 -1.119 9.329 1.00 0.00 C ATOM 161 C GLU X 12 69.887 -2.013 9.059 1.00 0.00 C ATOM 162 O GLU X 12 69.555 -2.248 7.928 1.00 0.00 O ATOM 163 CB GLU X 12 72.446 -1.840 9.408 1.00 0.00 C ATOM 164 CG GLU X 12 72.751 -2.488 10.733 1.00 0.00 C ATOM 165 CD GLU X 12 74.165 -2.988 10.794 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.536 -3.885 10.009 1.00 0.00 O ATOM 167 OE2 GLU X 12 74.955 -2.458 11.603 1.00 0.00 O ATOM 0 H GLU X 12 71.535 -0.386 11.228 1.00 0.00 H new ATOM 0 HA GLU X 12 71.193 -0.503 8.434 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.475 -2.606 8.633 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.238 -1.126 9.180 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.584 -1.770 11.536 1.00 0.00 H new ATOM 0 HG3 GLU X 12 72.064 -3.318 10.899 1.00 0.00 H new ATOM 174 N ALA X 13 69.164 -2.395 10.107 1.00 0.00 N ATOM 175 CA ALA X 13 67.925 -3.152 9.940 1.00 0.00 C ATOM 176 C ALA X 13 66.782 -2.282 9.331 1.00 0.00 C ATOM 177 O ALA X 13 66.010 -2.780 8.507 1.00 0.00 O ATOM 178 CB ALA X 13 67.496 -3.804 11.239 1.00 0.00 C ATOM 0 H ALA X 13 69.411 -2.195 11.076 1.00 0.00 H new ATOM 0 HA ALA X 13 68.132 -3.947 9.224 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.571 -4.359 11.080 1.00 0.00 H new ATOM 0 HB2 ALA X 13 68.275 -4.487 11.578 1.00 0.00 H new ATOM 0 HB3 ALA X 13 67.332 -3.036 11.995 1.00 0.00 H new ATOM 184 N GLU X 14 66.671 -0.989 9.744 1.00 0.00 N ATOM 185 CA GLU X 14 65.670 -0.051 9.134 1.00 0.00 C ATOM 186 C GLU X 14 65.928 0.032 7.665 1.00 0.00 C ATOM 187 O GLU X 14 65.019 0.002 6.827 1.00 0.00 O ATOM 188 CB GLU X 14 65.823 1.395 9.683 1.00 0.00 C ATOM 189 CG GLU X 14 65.419 1.606 11.116 1.00 0.00 C ATOM 190 CD GLU X 14 63.980 1.288 11.374 1.00 0.00 C ATOM 191 OE1 GLU X 14 63.114 2.164 11.150 1.00 0.00 O ATOM 192 OE2 GLU X 14 63.682 0.169 11.836 1.00 0.00 O ATOM 0 H GLU X 14 67.245 -0.574 10.478 1.00 0.00 H new ATOM 0 HA GLU X 14 64.677 -0.433 9.371 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.865 1.695 9.573 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.231 2.063 9.058 1.00 0.00 H new ATOM 0 HG2 GLU X 14 66.043 0.984 11.758 1.00 0.00 H new ATOM 0 HG3 GLU X 14 65.611 2.643 11.392 1.00 0.00 H new ATOM 199 N PHE X 15 67.188 0.111 7.373 1.00 0.00 N ATOM 200 CA PHE X 15 67.664 0.270 6.065 1.00 0.00 C ATOM 201 C PHE X 15 67.445 -0.999 5.262 1.00 0.00 C ATOM 202 O PHE X 15 66.926 -0.925 4.150 1.00 0.00 O ATOM 203 CB PHE X 15 69.128 0.648 6.123 1.00 0.00 C ATOM 204 CG PHE X 15 69.690 1.088 4.835 1.00 0.00 C ATOM 205 CD1 PHE X 15 70.258 0.183 3.979 1.00 0.00 C ATOM 206 CD2 PHE X 15 69.666 2.419 4.483 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.792 0.588 2.796 1.00 0.00 C ATOM 208 CE2 PHE X 15 70.200 2.830 3.295 1.00 0.00 C ATOM 209 CZ PHE X 15 70.762 1.914 2.456 1.00 0.00 C ATOM 0 H PHE X 15 67.927 0.063 8.074 1.00 0.00 H new ATOM 0 HA PHE X 15 67.114 1.065 5.562 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.257 1.446 6.854 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.699 -0.208 6.482 1.00 0.00 H new ATOM 0 HD1 PHE X 15 70.282 -0.863 4.246 1.00 0.00 H new ATOM 0 HD2 PHE X 15 69.222 3.143 5.151 1.00 0.00 H new ATOM 0 HE1 PHE X 15 71.238 -0.133 2.127 1.00 0.00 H new ATOM 0 HE2 PHE X 15 70.177 3.875 3.022 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.186 2.237 1.517 1.00 0.00 H new ATOM 219 N VAL X 16 67.811 -2.169 5.833 1.00 0.00 N ATOM 220 CA VAL X 16 67.630 -3.431 5.128 1.00 0.00 C ATOM 221 C VAL X 16 66.159 -3.636 4.773 1.00 0.00 C ATOM 222 O VAL X 16 65.861 -4.050 3.684 1.00 0.00 O ATOM 223 CB VAL X 16 68.190 -4.715 5.863 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.654 -4.648 6.190 1.00 0.00 C ATOM 225 CG2 VAL X 16 67.367 -5.170 7.045 1.00 0.00 C ATOM 0 H VAL X 16 68.224 -2.253 6.762 1.00 0.00 H new ATOM 0 HA VAL X 16 68.239 -3.331 4.229 1.00 0.00 H new ATOM 0 HB VAL X 16 68.083 -5.496 5.110 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.957 -5.567 6.692 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.227 -4.531 5.270 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.842 -3.798 6.845 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.824 -6.055 7.487 1.00 0.00 H new ATOM 0 HG22 VAL X 16 67.325 -4.373 7.788 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.357 -5.410 6.714 1.00 0.00 H new ATOM 235 N GLN X 17 65.257 -3.265 5.689 1.00 0.00 N ATOM 236 CA GLN X 17 63.824 -3.389 5.491 1.00 0.00 C ATOM 237 C GLN X 17 63.368 -2.614 4.265 1.00 0.00 C ATOM 238 O GLN X 17 62.715 -3.171 3.375 1.00 0.00 O ATOM 239 CB GLN X 17 63.110 -2.867 6.754 1.00 0.00 C ATOM 240 CG GLN X 17 61.674 -2.427 6.541 1.00 0.00 C ATOM 241 CD GLN X 17 60.707 -3.533 6.148 1.00 0.00 C ATOM 242 OE1 GLN X 17 61.076 -4.548 5.556 1.00 0.00 O ATOM 243 NE2 GLN X 17 59.469 -3.309 6.405 1.00 0.00 N ATOM 0 H GLN X 17 65.512 -2.868 6.593 1.00 0.00 H new ATOM 0 HA GLN X 17 63.573 -4.436 5.324 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.126 -3.650 7.512 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.677 -2.026 7.153 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.314 -1.961 7.458 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.657 -1.660 5.767 1.00 0.00 H new ATOM 0 HE21 GLN X 17 59.196 -2.458 6.897 1.00 0.00 H new ATOM 0 HE22 GLN X 17 58.759 -3.982 6.117 1.00 0.00 H new ATOM 252 N LEU X 18 63.766 -1.368 4.194 1.00 0.00 N ATOM 253 CA LEU X 18 63.365 -0.500 3.115 1.00 0.00 C ATOM 254 C LEU X 18 63.978 -1.005 1.818 1.00 0.00 C ATOM 255 O LEU X 18 63.341 -1.043 0.781 1.00 0.00 O ATOM 256 CB LEU X 18 63.798 0.954 3.449 1.00 0.00 C ATOM 257 CG LEU X 18 63.310 2.099 2.529 1.00 0.00 C ATOM 258 CD1 LEU X 18 64.074 2.172 1.222 1.00 0.00 C ATOM 259 CD2 LEU X 18 61.812 1.977 2.269 1.00 0.00 C ATOM 0 H LEU X 18 64.377 -0.927 4.882 1.00 0.00 H new ATOM 0 HA LEU X 18 62.282 -0.502 2.990 1.00 0.00 H new ATOM 0 HB2 LEU X 18 63.461 1.176 4.462 1.00 0.00 H new ATOM 0 HB3 LEU X 18 64.888 0.981 3.462 1.00 0.00 H new ATOM 0 HG LEU X 18 63.507 3.031 3.059 1.00 0.00 H new ATOM 0 HD11 LEU X 18 63.687 2.994 0.620 1.00 0.00 H new ATOM 0 HD12 LEU X 18 65.131 2.339 1.427 1.00 0.00 H new ATOM 0 HD13 LEU X 18 63.954 1.235 0.678 1.00 0.00 H new ATOM 0 HD21 LEU X 18 61.488 2.791 1.620 1.00 0.00 H new ATOM 0 HD22 LEU X 18 61.603 1.023 1.786 1.00 0.00 H new ATOM 0 HD23 LEU X 18 61.273 2.030 3.215 1.00 0.00 H new ATOM 271 N LEU X 19 65.195 -1.422 1.927 1.00 0.00 N ATOM 272 CA LEU X 19 65.983 -1.948 0.831 1.00 0.00 C ATOM 273 C LEU X 19 65.338 -3.173 0.204 1.00 0.00 C ATOM 274 O LEU X 19 65.289 -3.312 -1.022 1.00 0.00 O ATOM 275 CB LEU X 19 67.302 -2.311 1.391 1.00 0.00 C ATOM 276 CG LEU X 19 68.406 -2.638 0.431 1.00 0.00 C ATOM 277 CD1 LEU X 19 68.446 -1.646 -0.725 1.00 0.00 C ATOM 278 CD2 LEU X 19 69.677 -2.559 1.199 1.00 0.00 C ATOM 0 H LEU X 19 65.700 -1.411 2.813 1.00 0.00 H new ATOM 0 HA LEU X 19 66.066 -1.198 0.044 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.638 -1.485 2.018 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.162 -3.171 2.045 1.00 0.00 H new ATOM 0 HG LEU X 19 68.251 -3.629 0.003 1.00 0.00 H new ATOM 0 HD11 LEU X 19 69.257 -1.910 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU X 19 67.499 -1.676 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU X 19 68.611 -0.641 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU X 19 70.515 -2.790 0.541 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.798 -1.553 1.600 1.00 0.00 H new ATOM 0 HD23 LEU X 19 69.652 -3.276 2.019 1.00 0.00 H new ATOM 290 N LYS X 20 64.840 -4.034 1.048 1.00 0.00 N ATOM 291 CA LYS X 20 64.148 -5.232 0.636 1.00 0.00 C ATOM 292 C LYS X 20 62.908 -4.872 -0.169 1.00 0.00 C ATOM 293 O LYS X 20 62.505 -5.601 -1.094 1.00 0.00 O ATOM 294 CB LYS X 20 63.771 -6.044 1.851 1.00 0.00 C ATOM 295 CG LYS X 20 64.946 -6.580 2.612 1.00 0.00 C ATOM 296 CD LYS X 20 64.531 -7.553 3.705 1.00 0.00 C ATOM 297 CE LYS X 20 65.738 -7.967 4.525 1.00 0.00 C ATOM 298 NZ LYS X 20 65.401 -8.864 5.648 1.00 0.00 N ATOM 0 H LYS X 20 64.903 -3.924 2.060 1.00 0.00 H new ATOM 0 HA LYS X 20 64.807 -5.827 0.004 1.00 0.00 H new ATOM 0 HB2 LYS X 20 63.171 -5.425 2.518 1.00 0.00 H new ATOM 0 HB3 LYS X 20 63.142 -6.878 1.538 1.00 0.00 H new ATOM 0 HG2 LYS X 20 65.625 -7.080 1.922 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.497 -5.751 3.057 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.785 -7.089 4.351 1.00 0.00 H new ATOM 0 HD3 LYS X 20 64.065 -8.433 3.261 1.00 0.00 H new ATOM 0 HE2 LYS X 20 66.457 -8.465 3.875 1.00 0.00 H new ATOM 0 HE3 LYS X 20 66.227 -7.074 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 66.133 -8.790 6.383 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 64.481 -8.590 6.047 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 65.351 -9.845 5.306 1.00 0.00 H new ATOM 312 N GLU X 21 62.286 -3.776 0.209 1.00 0.00 N ATOM 313 CA GLU X 21 61.145 -3.254 -0.502 1.00 0.00 C ATOM 314 C GLU X 21 61.567 -2.766 -1.874 1.00 0.00 C ATOM 315 O GLU X 21 60.911 -3.052 -2.868 1.00 0.00 O ATOM 316 CB GLU X 21 60.470 -2.135 0.294 1.00 0.00 C ATOM 317 CG GLU X 21 59.888 -2.598 1.612 1.00 0.00 C ATOM 318 CD GLU X 21 58.873 -3.682 1.414 1.00 0.00 C ATOM 319 OE1 GLU X 21 57.707 -3.363 1.100 1.00 0.00 O ATOM 320 OE2 GLU X 21 59.221 -4.879 1.543 1.00 0.00 O ATOM 0 H GLU X 21 62.560 -3.222 1.021 1.00 0.00 H new ATOM 0 HA GLU X 21 60.417 -4.055 -0.627 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.197 -1.346 0.484 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.676 -1.698 -0.311 1.00 0.00 H new ATOM 0 HG2 GLU X 21 60.688 -2.961 2.257 1.00 0.00 H new ATOM 0 HG3 GLU X 21 59.425 -1.754 2.123 1.00 0.00 H new ATOM 327 N ILE X 22 62.712 -2.100 -1.923 1.00 0.00 N ATOM 328 CA ILE X 22 63.244 -1.561 -3.167 1.00 0.00 C ATOM 329 C ILE X 22 63.421 -2.668 -4.186 1.00 0.00 C ATOM 330 O ILE X 22 63.067 -2.513 -5.351 1.00 0.00 O ATOM 331 CB ILE X 22 64.596 -0.846 -2.981 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.553 0.104 -1.790 1.00 0.00 C ATOM 333 CG2 ILE X 22 64.908 -0.069 -4.237 1.00 0.00 C ATOM 334 CD1 ILE X 22 65.817 0.923 -1.606 1.00 0.00 C ATOM 0 H ILE X 22 63.296 -1.919 -1.106 1.00 0.00 H new ATOM 0 HA ILE X 22 62.518 -0.826 -3.516 1.00 0.00 H new ATOM 0 HB ILE X 22 65.369 -1.591 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE X 22 63.708 0.782 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.372 -0.474 -0.884 1.00 0.00 H new ATOM 0 HG21 ILE X 22 65.863 0.443 -4.120 1.00 0.00 H new ATOM 0 HG22 ILE X 22 64.964 -0.753 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.122 0.665 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE X 22 65.706 1.573 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.664 0.255 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE X 22 65.990 1.530 -2.495 1.00 0.00 H new ATOM 346 N GLU X 23 63.933 -3.795 -3.722 1.00 0.00 N ATOM 347 CA GLU X 23 64.110 -4.968 -4.558 1.00 0.00 C ATOM 348 C GLU X 23 62.785 -5.404 -5.147 1.00 0.00 C ATOM 349 O GLU X 23 62.679 -5.664 -6.335 1.00 0.00 O ATOM 350 CB GLU X 23 64.641 -6.125 -3.747 1.00 0.00 C ATOM 351 CG GLU X 23 66.023 -5.946 -3.172 1.00 0.00 C ATOM 352 CD GLU X 23 66.499 -7.211 -2.520 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.929 -7.607 -1.482 1.00 0.00 O ATOM 354 OE2 GLU X 23 67.386 -7.878 -3.067 1.00 0.00 O ATOM 0 H GLU X 23 64.237 -3.922 -2.757 1.00 0.00 H new ATOM 0 HA GLU X 23 64.813 -4.700 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.949 -6.317 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.643 -7.015 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.716 -5.657 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU X 23 66.016 -5.136 -2.442 1.00 0.00 H new ATOM 361 N LYS X 24 61.772 -5.425 -4.313 1.00 0.00 N ATOM 362 CA LYS X 24 60.471 -5.905 -4.694 1.00 0.00 C ATOM 363 C LYS X 24 59.823 -4.978 -5.718 1.00 0.00 C ATOM 364 O LYS X 24 59.284 -5.439 -6.738 1.00 0.00 O ATOM 365 CB LYS X 24 59.598 -6.055 -3.468 1.00 0.00 C ATOM 366 CG LYS X 24 58.259 -6.740 -3.729 1.00 0.00 C ATOM 367 CD LYS X 24 58.448 -8.180 -4.192 1.00 0.00 C ATOM 368 CE LYS X 24 57.119 -8.845 -4.483 1.00 0.00 C ATOM 369 NZ LYS X 24 57.289 -10.239 -4.943 1.00 0.00 N ATOM 0 H LYS X 24 61.831 -5.107 -3.346 1.00 0.00 H new ATOM 0 HA LYS X 24 60.584 -6.882 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS X 24 60.143 -6.625 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.411 -5.067 -3.046 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.658 -6.725 -2.820 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.706 -6.183 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS X 24 59.069 -8.197 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS X 24 58.979 -8.744 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS X 24 56.502 -8.832 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS X 24 56.586 -8.274 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 56.356 -10.659 -5.131 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 57.856 -10.250 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 57.774 -10.791 -4.207 1.00 0.00 H new ATOM 383 N GLU X 25 59.890 -3.681 -5.473 1.00 0.00 N ATOM 384 CA GLU X 25 59.363 -2.727 -6.400 1.00 0.00 C ATOM 385 C GLU X 25 60.206 -2.665 -7.680 1.00 0.00 C ATOM 386 O GLU X 25 59.733 -2.193 -8.720 1.00 0.00 O ATOM 387 CB GLU X 25 59.193 -1.328 -5.774 1.00 0.00 C ATOM 388 CG GLU X 25 58.036 -1.172 -4.756 1.00 0.00 C ATOM 389 CD GLU X 25 58.020 -2.090 -3.554 1.00 0.00 C ATOM 390 OE1 GLU X 25 57.521 -3.225 -3.666 1.00 0.00 O ATOM 391 OE2 GLU X 25 58.405 -1.665 -2.470 1.00 0.00 O ATOM 0 H GLU X 25 60.307 -3.276 -4.635 1.00 0.00 H new ATOM 0 HA GLU X 25 58.366 -3.074 -6.671 1.00 0.00 H new ATOM 0 HB2 GLU X 25 60.125 -1.059 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.041 -0.608 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.048 -0.145 -4.392 1.00 0.00 H new ATOM 0 HG3 GLU X 25 57.098 -1.309 -5.293 1.00 0.00 H new ATOM 398 N ASN X 26 61.434 -3.146 -7.614 1.00 0.00 N ATOM 399 CA ASN X 26 62.300 -3.152 -8.780 1.00 0.00 C ATOM 400 C ASN X 26 62.075 -4.396 -9.629 1.00 0.00 C ATOM 401 O ASN X 26 61.919 -4.292 -10.832 1.00 0.00 O ATOM 402 CB ASN X 26 63.783 -3.049 -8.402 1.00 0.00 C ATOM 403 CG ASN X 26 64.689 -2.870 -9.620 1.00 0.00 C ATOM 404 OD1 ASN X 26 64.241 -2.114 -10.603 1.00 0.00 O flip ATOM 405 ND2 ASN X 26 65.805 -3.374 -9.656 1.00 0.00 N flip ATOM 0 H ASN X 26 61.853 -3.536 -6.770 1.00 0.00 H new ATOM 0 HA ASN X 26 62.036 -2.269 -9.362 1.00 0.00 H new ATOM 0 HB2 ASN X 26 63.923 -2.208 -7.723 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.080 -3.948 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.127 -3.955 -8.882 1.00 0.00 H new ATOM 0 HD22 ASN X 26 66.412 -3.213 -10.460 1.00 0.00 H new ATOM 412 N VAL X 27 62.019 -5.563 -9.001 1.00 0.00 N ATOM 413 CA VAL X 27 61.850 -6.834 -9.733 1.00 0.00 C ATOM 414 C VAL X 27 60.499 -6.929 -10.446 1.00 0.00 C ATOM 415 O VAL X 27 60.399 -7.522 -11.515 1.00 0.00 O ATOM 416 CB VAL X 27 62.090 -8.093 -8.850 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.529 -8.141 -8.366 1.00 0.00 C ATOM 418 CG2 VAL X 27 61.130 -8.141 -7.671 1.00 0.00 C ATOM 0 H VAL X 27 62.087 -5.667 -7.989 1.00 0.00 H new ATOM 0 HA VAL X 27 62.631 -6.821 -10.493 1.00 0.00 H new ATOM 0 HB VAL X 27 61.899 -8.970 -9.469 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.676 -9.028 -7.750 1.00 0.00 H new ATOM 0 HG12 VAL X 27 64.200 -8.179 -9.224 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.744 -7.250 -7.776 1.00 0.00 H new ATOM 0 HG21 VAL X 27 61.327 -9.034 -7.077 1.00 0.00 H new ATOM 0 HG22 VAL X 27 61.270 -7.255 -7.052 1.00 0.00 H new ATOM 0 HG23 VAL X 27 60.104 -8.169 -8.038 1.00 0.00 H new ATOM 428 N ALA X 28 59.475 -6.322 -9.862 1.00 0.00 N ATOM 429 CA ALA X 28 58.155 -6.292 -10.487 1.00 0.00 C ATOM 430 C ALA X 28 58.049 -5.080 -11.410 1.00 0.00 C ATOM 431 O ALA X 28 57.077 -4.922 -12.154 1.00 0.00 O ATOM 432 CB ALA X 28 57.070 -6.257 -9.425 1.00 0.00 C ATOM 0 H ALA X 28 59.529 -5.846 -8.962 1.00 0.00 H new ATOM 0 HA ALA X 28 58.019 -7.196 -11.081 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.092 -6.235 -9.905 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.146 -7.145 -8.797 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.192 -5.366 -8.809 1.00 0.00 H new ATOM 438 N ALA X 29 59.090 -4.256 -11.354 1.00 0.00 N ATOM 439 CA ALA X 29 59.237 -3.027 -12.104 1.00 0.00 C ATOM 440 C ALA X 29 58.077 -2.077 -11.928 1.00 0.00 C ATOM 441 O ALA X 29 57.152 -2.021 -12.749 1.00 0.00 O ATOM 442 CB ALA X 29 59.558 -3.267 -13.566 1.00 0.00 C ATOM 0 H ALA X 29 59.892 -4.443 -10.752 1.00 0.00 H new ATOM 0 HA ALA X 29 60.104 -2.529 -11.670 1.00 0.00 H new ATOM 0 HB1 ALA X 29 59.657 -2.310 -14.079 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.494 -3.820 -13.647 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.755 -3.843 -14.025 1.00 0.00 H new ATOM 448 N THR X 30 58.110 -1.374 -10.837 1.00 0.00 N ATOM 449 CA THR X 30 57.136 -0.362 -10.555 1.00 0.00 C ATOM 450 C THR X 30 57.679 0.959 -11.090 1.00 0.00 C ATOM 451 O THR X 30 58.646 0.953 -11.870 1.00 0.00 O ATOM 452 CB THR X 30 56.866 -0.275 -9.039 1.00 0.00 C ATOM 453 OG1 THR X 30 58.081 -0.024 -8.359 1.00 0.00 O ATOM 454 CG2 THR X 30 56.293 -1.568 -8.521 1.00 0.00 C ATOM 0 H THR X 30 58.818 -1.487 -10.112 1.00 0.00 H new ATOM 0 HA THR X 30 56.187 -0.600 -11.035 1.00 0.00 H new ATOM 0 HB THR X 30 56.152 0.531 -8.866 1.00 0.00 H new ATOM 0 HG1 THR X 30 58.659 -0.813 -8.421 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.111 -1.482 -7.450 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.354 -1.781 -9.033 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.998 -2.378 -8.705 1.00 0.00 H new ATOM 462 N ASP X 31 57.115 2.073 -10.707 1.00 0.00 N ATOM 463 CA ASP X 31 57.590 3.324 -11.258 1.00 0.00 C ATOM 464 C ASP X 31 57.810 4.383 -10.213 1.00 0.00 C ATOM 465 O ASP X 31 58.950 4.655 -9.856 1.00 0.00 O ATOM 466 CB ASP X 31 56.672 3.814 -12.363 1.00 0.00 C ATOM 467 CG ASP X 31 57.121 5.110 -12.998 1.00 0.00 C ATOM 468 OD1 ASP X 31 58.071 5.089 -13.803 1.00 0.00 O ATOM 469 OD2 ASP X 31 56.499 6.160 -12.743 1.00 0.00 O ATOM 0 H ASP X 31 56.349 2.147 -10.037 1.00 0.00 H new ATOM 0 HA ASP X 31 58.570 3.122 -11.691 1.00 0.00 H new ATOM 0 HB2 ASP X 31 56.605 3.046 -13.134 1.00 0.00 H new ATOM 0 HB3 ASP X 31 55.669 3.947 -11.957 1.00 0.00 H new ATOM 474 N ASP X 32 56.732 4.931 -9.684 1.00 0.00 N ATOM 475 CA ASP X 32 56.823 6.049 -8.745 1.00 0.00 C ATOM 476 C ASP X 32 57.600 5.675 -7.523 1.00 0.00 C ATOM 477 O ASP X 32 58.576 6.331 -7.179 1.00 0.00 O ATOM 478 CB ASP X 32 55.449 6.545 -8.318 1.00 0.00 C ATOM 479 CG ASP X 32 55.539 7.737 -7.389 1.00 0.00 C ATOM 480 OD1 ASP X 32 55.819 8.856 -7.862 1.00 0.00 O ATOM 481 OD2 ASP X 32 55.298 7.590 -6.185 1.00 0.00 O ATOM 0 H ASP X 32 55.780 4.625 -9.884 1.00 0.00 H new ATOM 0 HA ASP X 32 57.341 6.849 -9.274 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.871 6.817 -9.201 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.911 5.738 -7.821 1.00 0.00 H new ATOM 486 N VAL X 33 57.218 4.571 -6.924 1.00 0.00 N ATOM 487 CA VAL X 33 57.821 4.153 -5.666 1.00 0.00 C ATOM 488 C VAL X 33 59.219 3.642 -5.899 1.00 0.00 C ATOM 489 O VAL X 33 60.113 3.909 -5.134 1.00 0.00 O ATOM 490 CB VAL X 33 56.951 3.118 -4.908 1.00 0.00 C ATOM 491 CG1 VAL X 33 56.719 1.871 -5.717 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.518 2.790 -3.537 1.00 0.00 C ATOM 0 H VAL X 33 56.496 3.944 -7.280 1.00 0.00 H new ATOM 0 HA VAL X 33 57.879 5.030 -5.021 1.00 0.00 H new ATOM 0 HB VAL X 33 55.980 3.587 -4.753 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.105 1.175 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.208 2.129 -6.644 1.00 0.00 H new ATOM 0 HG13 VAL X 33 57.676 1.404 -5.948 1.00 0.00 H new ATOM 0 HG21 VAL X 33 56.876 2.061 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.520 2.375 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.566 3.698 -2.936 1.00 0.00 H new ATOM 502 N LEU X 34 59.395 2.997 -7.022 1.00 0.00 N ATOM 503 CA LEU X 34 60.667 2.474 -7.447 1.00 0.00 C ATOM 504 C LEU X 34 61.654 3.617 -7.543 1.00 0.00 C ATOM 505 O LEU X 34 62.725 3.545 -6.970 1.00 0.00 O ATOM 506 CB LEU X 34 60.437 1.761 -8.791 1.00 0.00 C ATOM 507 CG LEU X 34 61.595 1.073 -9.514 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.338 2.052 -10.378 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.524 0.376 -8.538 1.00 0.00 C ATOM 0 H LEU X 34 58.639 2.816 -7.683 1.00 0.00 H new ATOM 0 HA LEU X 34 61.085 1.755 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.667 1.007 -8.627 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.021 2.497 -9.478 1.00 0.00 H new ATOM 0 HG LEU X 34 61.176 0.303 -10.162 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.158 1.542 -10.883 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.659 2.471 -11.120 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.737 2.855 -9.758 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.336 -0.102 -9.086 1.00 0.00 H new ATOM 0 HD22 LEU X 34 62.937 1.107 -7.843 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.968 -0.379 -7.982 1.00 0.00 H new ATOM 521 N ASP X 35 61.251 4.698 -8.180 1.00 0.00 N ATOM 522 CA ASP X 35 62.116 5.869 -8.294 1.00 0.00 C ATOM 523 C ASP X 35 62.412 6.456 -6.957 1.00 0.00 C ATOM 524 O ASP X 35 63.561 6.788 -6.673 1.00 0.00 O ATOM 525 CB ASP X 35 61.565 6.926 -9.240 1.00 0.00 C ATOM 526 CG ASP X 35 62.480 8.131 -9.362 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.463 8.071 -10.149 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.212 9.179 -8.722 1.00 0.00 O ATOM 0 H ASP X 35 60.339 4.796 -8.625 1.00 0.00 H new ATOM 0 HA ASP X 35 63.050 5.515 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.417 6.485 -10.226 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.587 7.251 -8.886 1.00 0.00 H new ATOM 533 N VAL X 36 61.400 6.519 -6.112 1.00 0.00 N ATOM 534 CA VAL X 36 61.565 7.043 -4.766 1.00 0.00 C ATOM 535 C VAL X 36 62.613 6.286 -4.057 1.00 0.00 C ATOM 536 O VAL X 36 63.542 6.849 -3.521 1.00 0.00 O ATOM 537 CB VAL X 36 60.299 6.816 -3.926 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.506 7.224 -2.516 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.167 7.524 -4.462 1.00 0.00 C ATOM 0 H VAL X 36 60.452 6.213 -6.333 1.00 0.00 H new ATOM 0 HA VAL X 36 61.800 8.102 -4.872 1.00 0.00 H new ATOM 0 HB VAL X 36 60.092 5.746 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.591 7.050 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.318 6.639 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.761 8.283 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.292 7.337 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.380 8.593 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL X 36 58.970 7.179 -5.477 1.00 0.00 H new ATOM 549 N LEU X 37 62.477 5.019 -4.121 1.00 0.00 N ATOM 550 CA LEU X 37 63.295 4.155 -3.398 1.00 0.00 C ATOM 551 C LEU X 37 64.691 4.168 -3.894 1.00 0.00 C ATOM 552 O LEU X 37 65.622 4.232 -3.108 1.00 0.00 O ATOM 553 CB LEU X 37 62.754 2.785 -3.441 1.00 0.00 C ATOM 554 CG LEU X 37 61.331 2.573 -2.887 1.00 0.00 C ATOM 555 CD1 LEU X 37 60.910 1.121 -3.015 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.234 3.026 -1.435 1.00 0.00 C ATOM 0 H LEU X 37 61.774 4.551 -4.694 1.00 0.00 H new ATOM 0 HA LEU X 37 63.310 4.506 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.767 2.449 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.433 2.136 -2.887 1.00 0.00 H new ATOM 0 HG LEU X 37 60.651 3.183 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU X 37 59.903 0.998 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU X 37 60.924 0.829 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.601 0.491 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.219 2.865 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.933 2.452 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.480 4.086 -1.367 1.00 0.00 H new ATOM 568 N LEU X 38 64.828 4.142 -5.191 1.00 0.00 N ATOM 569 CA LEU X 38 66.111 4.139 -5.817 1.00 0.00 C ATOM 570 C LEU X 38 66.873 5.383 -5.467 1.00 0.00 C ATOM 571 O LEU X 38 68.023 5.313 -5.015 1.00 0.00 O ATOM 572 CB LEU X 38 65.983 3.978 -7.331 1.00 0.00 C ATOM 573 CG LEU X 38 65.376 2.680 -7.859 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.578 2.596 -9.331 1.00 0.00 C ATOM 575 CD2 LEU X 38 65.938 1.455 -7.181 1.00 0.00 C ATOM 0 H LEU X 38 64.044 4.122 -5.843 1.00 0.00 H new ATOM 0 HA LEU X 38 66.671 3.283 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.382 4.806 -7.706 1.00 0.00 H new ATOM 0 HB3 LEU X 38 66.977 4.084 -7.765 1.00 0.00 H new ATOM 0 HG LEU X 38 64.310 2.702 -7.631 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.144 1.669 -9.705 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.093 3.445 -9.814 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.645 2.613 -9.553 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.470 0.562 -7.596 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.015 1.410 -7.345 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.736 1.506 -6.111 1.00 0.00 H new ATOM 587 N GLU X 39 66.221 6.499 -5.603 1.00 0.00 N ATOM 588 CA GLU X 39 66.835 7.756 -5.333 1.00 0.00 C ATOM 589 C GLU X 39 67.079 7.965 -3.856 1.00 0.00 C ATOM 590 O GLU X 39 68.124 8.478 -3.462 1.00 0.00 O ATOM 591 CB GLU X 39 65.980 8.855 -5.840 1.00 0.00 C ATOM 592 CG GLU X 39 65.879 8.962 -7.341 1.00 0.00 C ATOM 593 CD GLU X 39 67.207 9.195 -8.016 1.00 0.00 C ATOM 594 OE1 GLU X 39 67.868 10.216 -7.721 1.00 0.00 O ATOM 595 OE2 GLU X 39 67.620 8.376 -8.872 1.00 0.00 O ATOM 0 H GLU X 39 65.248 6.559 -5.905 1.00 0.00 H new ATOM 0 HA GLU X 39 67.800 7.759 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU X 39 64.976 8.727 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.363 9.798 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.436 8.047 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.203 9.778 -7.595 1.00 0.00 H new ATOM 602 N HIS X 40 66.115 7.584 -3.047 1.00 0.00 N ATOM 603 CA HIS X 40 66.202 7.767 -1.615 1.00 0.00 C ATOM 604 C HIS X 40 67.378 7.002 -1.073 1.00 0.00 C ATOM 605 O HIS X 40 68.181 7.527 -0.313 1.00 0.00 O ATOM 606 CB HIS X 40 64.900 7.302 -0.934 1.00 0.00 C ATOM 607 CG HIS X 40 64.860 7.474 0.557 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.160 8.462 1.198 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.457 6.753 1.534 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.355 8.320 2.504 1.00 0.00 C ATOM 611 NE2 HIS X 40 65.136 7.296 2.760 1.00 0.00 N ATOM 0 H HIS X 40 65.252 7.140 -3.362 1.00 0.00 H new ATOM 0 HA HIS X 40 66.341 8.827 -1.402 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.065 7.851 -1.369 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.744 6.249 -1.166 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.590 9.180 0.751 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.086 5.889 1.378 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.927 8.964 3.258 1.00 0.00 H new ATOM 619 N PHE X 41 67.485 5.797 -1.515 1.00 0.00 N ATOM 620 CA PHE X 41 68.521 4.902 -1.121 1.00 0.00 C ATOM 621 C PHE X 41 69.906 5.470 -1.455 1.00 0.00 C ATOM 622 O PHE X 41 70.781 5.550 -0.597 1.00 0.00 O ATOM 623 CB PHE X 41 68.257 3.584 -1.819 1.00 0.00 C ATOM 624 CG PHE X 41 69.370 2.617 -1.807 1.00 0.00 C ATOM 625 CD1 PHE X 41 69.628 1.861 -0.696 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.158 2.458 -2.915 1.00 0.00 C ATOM 627 CE1 PHE X 41 70.666 0.963 -0.689 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.187 1.562 -2.901 1.00 0.00 C ATOM 629 CZ PHE X 41 71.445 0.816 -1.794 1.00 0.00 C ATOM 0 H PHE X 41 66.831 5.392 -2.185 1.00 0.00 H new ATOM 0 HA PHE X 41 68.519 4.757 -0.041 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.389 3.116 -1.354 1.00 0.00 H new ATOM 0 HB3 PHE X 41 67.991 3.790 -2.856 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.010 1.972 0.183 1.00 0.00 H new ATOM 0 HD2 PHE X 41 69.965 3.043 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE X 41 70.864 0.373 0.194 1.00 0.00 H new ATOM 0 HE2 PHE X 41 71.804 1.444 -3.780 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.263 0.111 -1.792 1.00 0.00 H new ATOM 639 N VAL X 42 70.097 5.859 -2.678 1.00 0.00 N ATOM 640 CA VAL X 42 71.361 6.416 -3.105 1.00 0.00 C ATOM 641 C VAL X 42 71.663 7.781 -2.472 1.00 0.00 C ATOM 642 O VAL X 42 72.813 8.108 -2.226 1.00 0.00 O ATOM 643 CB VAL X 42 71.509 6.411 -4.638 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.486 7.237 -5.293 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.909 6.758 -5.101 1.00 0.00 C ATOM 0 H VAL X 42 69.390 5.803 -3.411 1.00 0.00 H new ATOM 0 HA VAL X 42 72.134 5.750 -2.723 1.00 0.00 H new ATOM 0 HB VAL X 42 71.338 5.382 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.629 7.204 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.496 6.854 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.573 8.267 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL X 42 72.948 6.737 -6.190 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.173 7.755 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.616 6.032 -4.699 1.00 0.00 H new ATOM 655 N LYS X 43 70.645 8.567 -2.203 1.00 0.00 N ATOM 656 CA LYS X 43 70.864 9.896 -1.603 1.00 0.00 C ATOM 657 C LYS X 43 71.373 9.778 -0.161 1.00 0.00 C ATOM 658 O LYS X 43 72.272 10.516 0.264 1.00 0.00 O ATOM 659 CB LYS X 43 69.602 10.795 -1.681 1.00 0.00 C ATOM 660 CG LYS X 43 68.514 10.571 -0.613 1.00 0.00 C ATOM 661 CD LYS X 43 67.287 11.436 -0.898 1.00 0.00 C ATOM 662 CE LYS X 43 66.237 11.323 0.205 1.00 0.00 C ATOM 663 NZ LYS X 43 65.056 12.176 -0.070 1.00 0.00 N ATOM 0 H LYS X 43 69.669 8.330 -2.380 1.00 0.00 H new ATOM 0 HA LYS X 43 71.637 10.385 -2.196 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.923 11.835 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.147 10.655 -2.662 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.227 9.520 -0.595 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.912 10.810 0.373 1.00 0.00 H new ATOM 0 HD2 LYS X 43 67.594 12.477 -1.001 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.847 11.138 -1.849 1.00 0.00 H new ATOM 0 HE2 LYS X 43 65.921 10.284 0.301 1.00 0.00 H new ATOM 0 HE3 LYS X 43 66.679 11.611 1.159 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 64.366 12.072 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.354 13.170 -0.136 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 64.619 11.885 -0.968 1.00 0.00 H new ATOM 677 N ILE X 44 70.830 8.832 0.571 1.00 0.00 N ATOM 678 CA ILE X 44 71.227 8.641 1.938 1.00 0.00 C ATOM 679 C ILE X 44 72.571 7.909 2.022 1.00 0.00 C ATOM 680 O ILE X 44 73.371 8.184 2.902 1.00 0.00 O ATOM 681 CB ILE X 44 70.123 7.926 2.770 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.750 6.583 2.145 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.892 8.826 2.873 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.696 5.816 2.896 1.00 0.00 C ATOM 0 H ILE X 44 70.114 8.186 0.239 1.00 0.00 H new ATOM 0 HA ILE X 44 71.361 9.627 2.383 1.00 0.00 H new ATOM 0 HB ILE X 44 70.511 7.733 3.770 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.400 6.755 1.127 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.647 5.968 2.074 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.121 8.322 3.456 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.165 9.761 3.363 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.511 9.037 1.874 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.494 4.877 2.382 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.048 5.608 3.906 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.781 6.407 2.945 1.00 0.00 H new ATOM 696 N THR X 45 72.848 7.043 1.064 1.00 0.00 N ATOM 697 CA THR X 45 74.094 6.293 1.073 1.00 0.00 C ATOM 698 C THR X 45 75.244 7.078 0.460 1.00 0.00 C ATOM 699 O THR X 45 76.382 7.029 0.965 1.00 0.00 O ATOM 700 CB THR X 45 73.950 4.950 0.338 1.00 0.00 C ATOM 701 OG1 THR X 45 73.437 5.170 -0.982 1.00 0.00 O ATOM 702 CG2 THR X 45 73.023 4.033 1.086 1.00 0.00 C ATOM 0 H THR X 45 72.234 6.842 0.275 1.00 0.00 H new ATOM 0 HA THR X 45 74.324 6.106 2.122 1.00 0.00 H new ATOM 0 HB THR X 45 74.934 4.485 0.277 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.458 5.190 -0.953 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.935 3.088 0.550 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.421 3.848 2.084 1.00 0.00 H new ATOM 0 HG23 THR X 45 72.040 4.497 1.168 1.00 0.00 H new ATOM 710 N GLU X 46 74.942 7.798 -0.634 1.00 0.00 N ATOM 711 CA GLU X 46 75.922 8.555 -1.407 1.00 0.00 C ATOM 712 C GLU X 46 76.903 7.635 -2.099 1.00 0.00 C ATOM 713 O GLU X 46 77.972 8.050 -2.535 1.00 0.00 O ATOM 714 CB GLU X 46 76.600 9.611 -0.546 1.00 0.00 C ATOM 715 CG GLU X 46 75.883 10.933 -0.548 1.00 0.00 C ATOM 716 CD GLU X 46 76.182 11.716 -1.799 1.00 0.00 C ATOM 717 OE1 GLU X 46 77.188 12.450 -1.817 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.453 11.587 -2.787 1.00 0.00 O ATOM 0 H GLU X 46 73.995 7.867 -1.005 1.00 0.00 H new ATOM 0 HA GLU X 46 75.398 9.092 -2.198 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.669 9.245 0.478 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.620 9.759 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.809 10.767 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU X 46 76.181 11.512 0.326 1.00 0.00 H new ATOM 725 N HIS X 47 76.497 6.391 -2.248 1.00 0.00 N ATOM 726 CA HIS X 47 77.299 5.416 -2.915 1.00 0.00 C ATOM 727 C HIS X 47 77.094 5.632 -4.419 1.00 0.00 C ATOM 728 O HIS X 47 75.958 5.727 -4.867 1.00 0.00 O ATOM 729 CB HIS X 47 76.863 3.991 -2.502 1.00 0.00 C ATOM 730 CG HIS X 47 77.850 2.923 -2.885 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.769 2.146 -4.020 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.980 2.539 -2.262 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.841 1.346 -4.046 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.604 1.545 -2.998 1.00 0.00 N ATOM 0 H HIS X 47 75.602 6.039 -1.907 1.00 0.00 H new ATOM 0 HA HIS X 47 78.351 5.521 -2.649 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.713 3.965 -1.423 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.901 3.767 -2.963 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.345 2.944 -1.330 1.00 0.00 H new ATOM 0 HE1 HIS X 47 79.051 0.630 -4.827 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.476 1.067 -2.772 1.00 0.00 H new ATOM 742 N PRO X 48 78.167 5.665 -5.232 1.00 0.00 N ATOM 743 CA PRO X 48 78.089 5.990 -6.679 1.00 0.00 C ATOM 744 C PRO X 48 77.454 4.907 -7.488 1.00 0.00 C ATOM 745 O PRO X 48 77.261 5.039 -8.700 1.00 0.00 O ATOM 746 CB PRO X 48 79.538 6.058 -7.105 1.00 0.00 C ATOM 747 CG PRO X 48 80.320 6.140 -5.873 1.00 0.00 C ATOM 748 CD PRO X 48 79.546 5.380 -4.850 1.00 0.00 C ATOM 0 HA PRO X 48 77.500 6.894 -6.831 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.815 5.178 -7.685 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.717 6.926 -7.739 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.313 5.711 -6.011 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.460 7.177 -5.567 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.765 4.313 -4.883 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.766 5.719 -3.838 1.00 0.00 H new ATOM 756 N ASP X 49 77.121 3.863 -6.831 1.00 0.00 N ATOM 757 CA ASP X 49 76.620 2.724 -7.460 1.00 0.00 C ATOM 758 C ASP X 49 75.380 2.358 -6.729 1.00 0.00 C ATOM 759 O ASP X 49 75.035 1.203 -6.659 1.00 0.00 O ATOM 760 CB ASP X 49 77.587 1.529 -7.384 1.00 0.00 C ATOM 761 CG ASP X 49 78.874 1.697 -8.129 1.00 0.00 C ATOM 762 OD1 ASP X 49 78.918 1.443 -9.343 1.00 0.00 O ATOM 763 OD2 ASP X 49 79.875 2.031 -7.509 1.00 0.00 O ATOM 0 H ASP X 49 77.194 3.784 -5.817 1.00 0.00 H new ATOM 0 HA ASP X 49 76.458 2.943 -8.515 1.00 0.00 H new ATOM 0 HB2 ASP X 49 77.816 1.335 -6.336 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.077 0.646 -7.768 1.00 0.00 H new ATOM 768 N GLY X 50 74.743 3.373 -6.138 1.00 0.00 N ATOM 769 CA GLY X 50 73.533 3.209 -5.342 1.00 0.00 C ATOM 770 C GLY X 50 72.565 2.307 -5.958 1.00 0.00 C ATOM 771 O GLY X 50 72.301 1.230 -5.449 1.00 0.00 O ATOM 0 H GLY X 50 75.060 4.340 -6.202 1.00 0.00 H new ATOM 0 HA2 GLY X 50 73.801 2.828 -4.357 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.069 4.184 -5.191 1.00 0.00 H new ATOM 775 N THR X 51 72.140 2.647 -7.084 1.00 0.00 N ATOM 776 CA THR X 51 71.100 1.896 -7.676 1.00 0.00 C ATOM 777 C THR X 51 71.620 0.527 -8.153 1.00 0.00 C ATOM 778 O THR X 51 70.906 -0.478 -8.086 1.00 0.00 O ATOM 779 CB THR X 51 70.436 2.682 -8.779 1.00 0.00 C ATOM 780 OG1 THR X 51 70.586 4.090 -8.469 1.00 0.00 O ATOM 781 CG2 THR X 51 68.962 2.358 -8.765 1.00 0.00 C ATOM 0 H THR X 51 72.482 3.437 -7.631 1.00 0.00 H new ATOM 0 HA THR X 51 70.335 1.698 -6.925 1.00 0.00 H new ATOM 0 HB THR X 51 70.875 2.443 -9.747 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.164 4.627 -9.172 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.459 2.916 -9.555 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.823 1.290 -8.930 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.538 2.635 -7.800 1.00 0.00 H new ATOM 789 N ALA X 52 72.904 0.485 -8.511 1.00 0.00 N ATOM 790 CA ALA X 52 73.569 -0.741 -8.936 1.00 0.00 C ATOM 791 C ALA X 52 73.663 -1.724 -7.799 1.00 0.00 C ATOM 792 O ALA X 52 73.614 -2.905 -8.028 1.00 0.00 O ATOM 793 CB ALA X 52 74.928 -0.441 -9.523 1.00 0.00 C ATOM 0 H ALA X 52 73.511 1.304 -8.513 1.00 0.00 H new ATOM 0 HA ALA X 52 72.967 -1.201 -9.719 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.404 -1.371 -9.833 1.00 0.00 H new ATOM 0 HB2 ALA X 52 74.815 0.214 -10.387 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.547 0.052 -8.773 1.00 0.00 H new ATOM 799 N LEU X 53 73.757 -1.222 -6.574 1.00 0.00 N ATOM 800 CA LEU X 53 73.761 -2.068 -5.383 1.00 0.00 C ATOM 801 C LEU X 53 72.467 -2.841 -5.302 1.00 0.00 C ATOM 802 O LEU X 53 72.457 -4.023 -5.015 1.00 0.00 O ATOM 803 CB LEU X 53 73.928 -1.228 -4.122 1.00 0.00 C ATOM 804 CG LEU X 53 75.237 -0.466 -3.995 1.00 0.00 C ATOM 805 CD1 LEU X 53 75.227 0.358 -2.734 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.421 -1.423 -4.000 1.00 0.00 C ATOM 0 H LEU X 53 73.832 -0.224 -6.377 1.00 0.00 H new ATOM 0 HA LEU X 53 74.600 -2.759 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.108 -0.511 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU X 53 73.827 -1.884 -3.257 1.00 0.00 H new ATOM 0 HG LEU X 53 75.340 0.200 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU X 53 76.167 0.902 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU X 53 74.400 1.067 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.107 -0.298 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.347 -0.856 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.334 -2.114 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.431 -1.985 -4.934 1.00 0.00 H new ATOM 818 N ILE X 54 71.385 -2.166 -5.607 1.00 0.00 N ATOM 819 CA ILE X 54 70.061 -2.785 -5.584 1.00 0.00 C ATOM 820 C ILE X 54 69.980 -3.821 -6.683 1.00 0.00 C ATOM 821 O ILE X 54 69.555 -4.961 -6.464 1.00 0.00 O ATOM 822 CB ILE X 54 68.961 -1.721 -5.759 1.00 0.00 C ATOM 823 CG1 ILE X 54 68.924 -0.820 -4.535 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.586 -2.367 -5.983 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.289 0.498 -4.803 1.00 0.00 C ATOM 0 H ILE X 54 71.385 -1.182 -5.877 1.00 0.00 H new ATOM 0 HA ILE X 54 69.905 -3.269 -4.620 1.00 0.00 H new ATOM 0 HB ILE X 54 69.196 -1.128 -6.643 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.380 -1.324 -3.736 1.00 0.00 H new ATOM 0 HG13 ILE X 54 69.941 -0.661 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE X 54 66.833 -1.588 -6.103 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.616 -2.984 -6.881 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.332 -2.988 -5.124 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.293 1.096 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE X 54 68.847 1.019 -5.581 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.261 0.346 -5.133 1.00 0.00 H new ATOM 837 N TYR X 55 70.439 -3.415 -7.851 1.00 0.00 N ATOM 838 CA TYR X 55 70.470 -4.264 -9.014 1.00 0.00 C ATOM 839 C TYR X 55 71.294 -5.530 -8.767 1.00 0.00 C ATOM 840 O TYR X 55 70.813 -6.646 -9.011 1.00 0.00 O ATOM 841 CB TYR X 55 71.024 -3.503 -10.211 1.00 0.00 C ATOM 842 CG TYR X 55 70.081 -2.486 -10.834 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.847 -2.866 -11.336 1.00 0.00 C ATOM 844 CD2 TYR X 55 70.426 -1.147 -10.920 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.994 -1.936 -11.897 1.00 0.00 C ATOM 846 CE2 TYR X 55 69.584 -0.221 -11.475 1.00 0.00 C ATOM 847 CZ TYR X 55 68.372 -0.614 -11.960 1.00 0.00 C ATOM 848 OH TYR X 55 67.532 0.327 -12.521 1.00 0.00 O ATOM 0 H TYR X 55 70.803 -2.476 -8.015 1.00 0.00 H new ATOM 0 HA TYR X 55 69.445 -4.569 -9.227 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.934 -2.988 -9.902 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.310 -4.224 -10.977 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.548 -3.903 -11.288 1.00 0.00 H new ATOM 0 HD2 TYR X 55 71.384 -0.825 -10.539 1.00 0.00 H new ATOM 0 HE1 TYR X 55 67.034 -2.245 -12.285 1.00 0.00 H new ATOM 0 HE2 TYR X 55 69.879 0.817 -11.528 1.00 0.00 H new ATOM 0 HH TYR X 55 67.957 1.209 -12.482 1.00 0.00 H new ATOM 858 N GLU X 56 72.506 -5.367 -8.242 1.00 0.00 N ATOM 859 CA GLU X 56 73.348 -6.502 -7.966 1.00 0.00 C ATOM 860 C GLU X 56 72.793 -7.350 -6.843 1.00 0.00 C ATOM 861 O GLU X 56 72.851 -8.553 -6.919 1.00 0.00 O ATOM 862 CB GLU X 56 74.846 -6.149 -7.753 1.00 0.00 C ATOM 863 CG GLU X 56 75.144 -5.092 -6.697 1.00 0.00 C ATOM 864 CD GLU X 56 76.625 -4.929 -6.422 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.307 -4.206 -7.170 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.148 -5.522 -5.451 1.00 0.00 O ATOM 0 H GLU X 56 72.914 -4.463 -8.005 1.00 0.00 H new ATOM 0 HA GLU X 56 73.331 -7.103 -8.875 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.378 -7.061 -7.484 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.256 -5.809 -8.704 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.733 -4.136 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.636 -5.359 -5.771 1.00 0.00 H new ATOM 873 N ALA X 57 72.209 -6.726 -5.833 1.00 0.00 N ATOM 874 CA ALA X 57 71.625 -7.465 -4.716 1.00 0.00 C ATOM 875 C ALA X 57 70.516 -8.384 -5.198 1.00 0.00 C ATOM 876 O ALA X 57 70.527 -9.586 -4.904 1.00 0.00 O ATOM 877 CB ALA X 57 71.093 -6.522 -3.658 1.00 0.00 C ATOM 0 H ALA X 57 72.125 -5.712 -5.760 1.00 0.00 H new ATOM 0 HA ALA X 57 72.415 -8.071 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA X 57 70.664 -7.099 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA X 57 71.907 -5.904 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.324 -5.883 -4.093 1.00 0.00 H new ATOM 883 N ALA X 58 69.605 -7.828 -5.984 1.00 0.00 N ATOM 884 CA ALA X 58 68.479 -8.566 -6.520 1.00 0.00 C ATOM 885 C ALA X 58 68.938 -9.730 -7.393 1.00 0.00 C ATOM 886 O ALA X 58 68.384 -10.836 -7.313 1.00 0.00 O ATOM 887 CB ALA X 58 67.555 -7.641 -7.300 1.00 0.00 C ATOM 0 H ALA X 58 69.630 -6.848 -6.267 1.00 0.00 H new ATOM 0 HA ALA X 58 67.925 -8.983 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA X 58 66.716 -8.213 -7.695 1.00 0.00 H new ATOM 0 HB2 ALA X 58 67.182 -6.858 -6.640 1.00 0.00 H new ATOM 0 HB3 ALA X 58 68.105 -7.188 -8.125 1.00 0.00 H new ATOM 893 N ALA X 59 69.952 -9.488 -8.204 1.00 0.00 N ATOM 894 CA ALA X 59 70.488 -10.504 -9.092 1.00 0.00 C ATOM 895 C ALA X 59 71.277 -11.564 -8.321 1.00 0.00 C ATOM 896 O ALA X 59 71.137 -12.767 -8.572 1.00 0.00 O ATOM 897 CB ALA X 59 71.358 -9.863 -10.165 1.00 0.00 C ATOM 0 H ALA X 59 70.425 -8.587 -8.266 1.00 0.00 H new ATOM 0 HA ALA X 59 69.648 -11.005 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA X 59 71.753 -10.637 -10.823 1.00 0.00 H new ATOM 0 HB2 ALA X 59 70.760 -9.162 -10.747 1.00 0.00 H new ATOM 0 HB3 ALA X 59 72.184 -9.331 -9.694 1.00 0.00 H new ATOM 903 N ARG X 60 72.094 -11.123 -7.386 1.00 0.00 N ATOM 904 CA ARG X 60 72.928 -12.015 -6.594 1.00 0.00 C ATOM 905 C ARG X 60 72.110 -12.888 -5.662 1.00 0.00 C ATOM 906 O ARG X 60 72.327 -14.076 -5.600 1.00 0.00 O ATOM 907 CB ARG X 60 74.021 -11.239 -5.848 1.00 0.00 C ATOM 908 CG ARG X 60 75.053 -10.639 -6.796 1.00 0.00 C ATOM 909 CD ARG X 60 75.916 -9.577 -6.135 1.00 0.00 C ATOM 910 NE ARG X 60 76.720 -10.087 -5.034 1.00 0.00 N ATOM 911 CZ ARG X 60 77.256 -9.328 -4.074 1.00 0.00 C ATOM 912 NH1 ARG X 60 77.105 -8.012 -4.090 1.00 0.00 N ATOM 913 NH2 ARG X 60 77.968 -9.884 -3.113 1.00 0.00 N ATOM 0 H ARG X 60 72.201 -10.136 -7.151 1.00 0.00 H new ATOM 0 HA ARG X 60 73.426 -12.692 -7.288 1.00 0.00 H new ATOM 0 HB2 ARG X 60 73.563 -10.442 -5.262 1.00 0.00 H new ATOM 0 HB3 ARG X 60 74.521 -11.905 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG X 60 75.693 -11.434 -7.178 1.00 0.00 H new ATOM 0 HG3 ARG X 60 74.541 -10.202 -7.653 1.00 0.00 H new ATOM 0 HD2 ARG X 60 76.576 -9.138 -6.884 1.00 0.00 H new ATOM 0 HD3 ARG X 60 75.275 -8.776 -5.766 1.00 0.00 H new ATOM 0 HE ARG X 60 76.886 -11.093 -4.993 1.00 0.00 H new ATOM 0 HH11 ARG X 60 76.575 -7.569 -4.840 1.00 0.00 H new ATOM 0 HH12 ARG X 60 77.519 -7.442 -3.352 1.00 0.00 H new ATOM 0 HH21 ARG X 60 78.110 -10.894 -3.102 1.00 0.00 H new ATOM 0 HH22 ARG X 60 78.377 -9.304 -2.380 1.00 0.00 H new ATOM 927 N ALA X 61 71.133 -12.309 -4.985 1.00 0.00 N ATOM 928 CA ALA X 61 70.286 -13.061 -4.049 1.00 0.00 C ATOM 929 C ALA X 61 69.392 -14.056 -4.783 1.00 0.00 C ATOM 930 O ALA X 61 68.913 -15.034 -4.193 1.00 0.00 O ATOM 931 CB ALA X 61 69.468 -12.127 -3.182 1.00 0.00 C ATOM 0 H ALA X 61 70.899 -11.319 -5.060 1.00 0.00 H new ATOM 0 HA ALA X 61 70.945 -13.632 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA X 61 68.851 -12.711 -2.499 1.00 0.00 H new ATOM 0 HB2 ALA X 61 70.136 -11.485 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA X 61 68.827 -11.512 -3.814 1.00 0.00 H new ATOM 937 N ALA X 62 69.153 -13.797 -6.061 1.00 0.00 N ATOM 938 CA ALA X 62 68.377 -14.694 -6.894 1.00 0.00 C ATOM 939 C ALA X 62 69.094 -16.034 -7.037 1.00 0.00 C ATOM 940 O ALA X 62 68.472 -17.095 -6.983 1.00 0.00 O ATOM 941 CB ALA X 62 68.128 -14.078 -8.257 1.00 0.00 C ATOM 0 H ALA X 62 69.491 -12.964 -6.543 1.00 0.00 H new ATOM 0 HA ALA X 62 67.413 -14.863 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA X 62 67.544 -14.767 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA X 62 67.579 -13.144 -8.139 1.00 0.00 H new ATOM 0 HB3 ALA X 62 69.082 -13.880 -8.746 1.00 0.00 H new ATOM 947 N ALA X 63 70.404 -15.980 -7.194 1.00 0.00 N ATOM 948 CA ALA X 63 71.211 -17.184 -7.317 1.00 0.00 C ATOM 949 C ALA X 63 71.700 -17.643 -5.948 1.00 0.00 C ATOM 950 O ALA X 63 71.847 -18.838 -5.700 1.00 0.00 O ATOM 951 CB ALA X 63 72.394 -16.930 -8.236 1.00 0.00 C ATOM 0 H ALA X 63 70.936 -15.111 -7.240 1.00 0.00 H new ATOM 0 HA ALA X 63 70.592 -17.972 -7.746 1.00 0.00 H new ATOM 0 HB1 ALA X 63 72.991 -17.838 -8.320 1.00 0.00 H new ATOM 0 HB2 ALA X 63 72.033 -16.640 -9.223 1.00 0.00 H new ATOM 0 HB3 ALA X 63 73.009 -16.129 -7.825 1.00 0.00 H new ATOM 957 N ASN X 64 71.946 -16.669 -5.085 1.00 0.00 N ATOM 958 CA ASN X 64 72.437 -16.851 -3.713 1.00 0.00 C ATOM 959 C ASN X 64 73.837 -17.449 -3.662 1.00 0.00 C ATOM 960 O ASN X 64 74.007 -18.668 -3.662 1.00 0.00 O ATOM 961 CB ASN X 64 71.447 -17.618 -2.794 1.00 0.00 C ATOM 962 CG ASN X 64 72.020 -17.904 -1.393 1.00 0.00 C ATOM 963 OD1 ASN X 64 72.601 -18.970 -1.138 1.00 0.00 O ATOM 964 ND2 ASN X 64 71.879 -16.972 -0.494 1.00 0.00 N ATOM 0 H ASN X 64 71.806 -15.687 -5.324 1.00 0.00 H new ATOM 0 HA ASN X 64 72.507 -15.843 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN X 64 70.530 -17.037 -2.693 1.00 0.00 H new ATOM 0 HB3 ASN X 64 71.176 -18.561 -3.269 1.00 0.00 H new ATOM 0 HD21 ASN X 64 72.251 -17.110 0.446 1.00 0.00 H new ATOM 0 HD22 ASN X 64 71.397 -16.105 -0.730 1.00 0.00 H new ATOM 971 N PRO X 65 74.867 -16.602 -3.714 1.00 0.00 N ATOM 972 CA PRO X 65 76.234 -17.022 -3.533 1.00 0.00 C ATOM 973 C PRO X 65 76.604 -16.914 -2.049 1.00 0.00 C ATOM 974 O PRO X 65 76.679 -15.799 -1.493 1.00 0.00 O ATOM 975 CB PRO X 65 77.039 -16.012 -4.381 1.00 0.00 C ATOM 976 CG PRO X 65 76.039 -14.972 -4.833 1.00 0.00 C ATOM 977 CD PRO X 65 74.806 -15.175 -4.000 1.00 0.00 C ATOM 0 HA PRO X 65 76.423 -18.053 -3.831 1.00 0.00 H new ATOM 0 HB2 PRO X 65 77.839 -15.558 -3.796 1.00 0.00 H new ATOM 0 HB3 PRO X 65 77.507 -16.502 -5.234 1.00 0.00 H new ATOM 0 HG2 PRO X 65 76.437 -13.966 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO X 65 75.814 -15.086 -5.893 1.00 0.00 H new ATOM 0 HD2 PRO X 65 74.825 -14.575 -3.090 1.00 0.00 H new ATOM 0 HD3 PRO X 65 73.899 -14.905 -4.541 1.00 0.00 H new ATOM 985 N GLY X 66 76.761 -18.060 -1.410 1.00 0.00 N ATOM 986 CA GLY X 66 77.061 -18.130 0.008 1.00 0.00 C ATOM 987 C GLY X 66 78.296 -17.350 0.394 1.00 0.00 C ATOM 988 O GLY X 66 79.412 -17.710 0.011 1.00 0.00 O ATOM 0 H GLY X 66 76.684 -18.971 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY X 66 76.209 -17.751 0.572 1.00 0.00 H new ATOM 0 HA3 GLY X 66 77.194 -19.173 0.294 1.00 0.00 H new ATOM 992 N GLY X 67 78.092 -16.305 1.138 1.00 0.00 N ATOM 993 CA GLY X 67 79.154 -15.442 1.556 1.00 0.00 C ATOM 994 C GLY X 67 78.579 -14.144 2.026 1.00 0.00 C ATOM 995 O GLY X 67 77.815 -14.119 2.993 1.00 0.00 O ATOM 0 H GLY X 67 77.171 -16.025 1.476 1.00 0.00 H new ATOM 0 HA2 GLY X 67 79.726 -15.911 2.357 1.00 0.00 H new ATOM 0 HA3 GLY X 67 79.844 -15.270 0.730 1.00 0.00 H new ATOM 999 N ASP X 68 78.880 -13.078 1.336 1.00 0.00 N ATOM 1000 CA ASP X 68 78.338 -11.776 1.684 1.00 0.00 C ATOM 1001 C ASP X 68 77.729 -11.172 0.463 1.00 0.00 C ATOM 1002 O ASP X 68 78.122 -11.512 -0.652 1.00 0.00 O ATOM 1003 CB ASP X 68 79.411 -10.827 2.230 1.00 0.00 C ATOM 1004 CG ASP X 68 80.049 -11.292 3.510 1.00 0.00 C ATOM 1005 OD1 ASP X 68 79.549 -10.954 4.603 1.00 0.00 O ATOM 1006 OD2 ASP X 68 81.080 -11.983 3.457 1.00 0.00 O ATOM 0 H ASP X 68 79.499 -13.077 0.525 1.00 0.00 H new ATOM 0 HA ASP X 68 77.595 -11.919 2.468 1.00 0.00 H new ATOM 0 HB2 ASP X 68 80.187 -10.701 1.475 1.00 0.00 H new ATOM 0 HB3 ASP X 68 78.964 -9.847 2.395 1.00 0.00 H new ATOM 1011 N GLY X 69 76.763 -10.315 0.649 1.00 0.00 N ATOM 1012 CA GLY X 69 76.136 -9.666 -0.472 1.00 0.00 C ATOM 1013 C GLY X 69 74.978 -10.454 -1.007 1.00 0.00 C ATOM 1014 O GLY X 69 74.629 -10.341 -2.181 1.00 0.00 O ATOM 0 H GLY X 69 76.393 -10.050 1.562 1.00 0.00 H new ATOM 0 HA2 GLY X 69 75.792 -8.676 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY X 69 76.871 -9.521 -1.264 1.00 0.00 H new ATOM 1018 N GLY X 70 74.352 -11.233 -0.147 1.00 0.00 N ATOM 1019 CA GLY X 70 73.240 -12.052 -0.559 1.00 0.00 C ATOM 1020 C GLY X 70 71.964 -11.297 -0.526 1.00 0.00 C ATOM 1021 O GLY X 70 71.015 -11.687 0.152 1.00 0.00 O ATOM 0 H GLY X 70 74.598 -11.313 0.840 1.00 0.00 H new ATOM 0 HA2 GLY X 70 73.416 -12.425 -1.568 1.00 0.00 H new ATOM 0 HA3 GLY X 70 73.166 -12.921 0.094 1.00 0.00 H new ATOM 1025 N GLY X 71 71.948 -10.211 -1.202 1.00 0.00 N ATOM 1026 CA GLY X 71 70.810 -9.450 -1.295 1.00 0.00 C ATOM 1027 C GLY X 71 70.902 -8.156 -0.516 1.00 0.00 C ATOM 1028 O GLY X 71 71.994 -7.571 -0.377 1.00 0.00 O ATOM 0 H GLY X 71 72.752 -9.838 -1.707 1.00 0.00 H new ATOM 0 HA2 GLY X 71 70.615 -9.224 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY X 71 69.961 -10.028 -0.930 1.00 0.00 H new ATOM 1032 N PRO X 72 69.791 -7.766 0.084 1.00 0.00 N ATOM 1033 CA PRO X 72 69.612 -6.474 0.742 1.00 0.00 C ATOM 1034 C PRO X 72 70.523 -6.307 1.941 1.00 0.00 C ATOM 1035 O PRO X 72 71.246 -5.341 2.054 1.00 0.00 O ATOM 1036 CB PRO X 72 68.146 -6.485 1.186 1.00 0.00 C ATOM 1037 CG PRO X 72 67.687 -7.904 1.084 1.00 0.00 C ATOM 1038 CD PRO X 72 68.621 -8.620 0.180 1.00 0.00 C ATOM 0 HA PRO X 72 69.859 -5.648 0.075 1.00 0.00 H new ATOM 0 HB2 PRO X 72 68.046 -6.117 2.207 1.00 0.00 H new ATOM 0 HB3 PRO X 72 67.543 -5.835 0.552 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.674 -8.373 2.068 1.00 0.00 H new ATOM 0 HG3 PRO X 72 66.670 -7.949 0.695 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.881 -9.600 0.579 1.00 0.00 H new ATOM 0 HD3 PRO X 72 68.172 -8.784 -0.800 1.00 0.00 H new ATOM 1046 N GLU X 73 70.548 -7.300 2.782 1.00 0.00 N ATOM 1047 CA GLU X 73 71.338 -7.283 3.995 1.00 0.00 C ATOM 1048 C GLU X 73 72.810 -7.560 3.681 1.00 0.00 C ATOM 1049 O GLU X 73 73.634 -7.658 4.580 1.00 0.00 O ATOM 1050 CB GLU X 73 70.788 -8.287 4.993 1.00 0.00 C ATOM 1051 CG GLU X 73 69.284 -8.194 5.157 1.00 0.00 C ATOM 1052 CD GLU X 73 68.724 -9.188 6.125 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.157 -10.340 6.128 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.805 -8.845 6.865 1.00 0.00 O ATOM 0 H GLU X 73 70.015 -8.160 2.649 1.00 0.00 H new ATOM 0 HA GLU X 73 71.275 -6.291 4.443 1.00 0.00 H new ATOM 0 HB2 GLU X 73 71.051 -9.294 4.670 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.264 -8.128 5.960 1.00 0.00 H new ATOM 0 HG2 GLU X 73 69.025 -7.189 5.490 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.811 -8.339 4.186 1.00 0.00 H new ATOM 1061 N GLY X 74 73.130 -7.723 2.423 1.00 0.00 N ATOM 1062 CA GLY X 74 74.502 -7.866 2.082 1.00 0.00 C ATOM 1063 C GLY X 74 75.075 -6.632 1.452 1.00 0.00 C ATOM 1064 O GLY X 74 76.202 -6.260 1.755 1.00 0.00 O ATOM 0 H GLY X 74 72.472 -7.758 1.644 1.00 0.00 H new ATOM 0 HA2 GLY X 74 75.071 -8.108 2.979 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.616 -8.705 1.396 1.00 0.00 H new ATOM 1068 N ILE X 75 74.308 -5.968 0.598 1.00 0.00 N ATOM 1069 CA ILE X 75 74.756 -4.685 0.039 1.00 0.00 C ATOM 1070 C ILE X 75 74.927 -3.665 1.115 1.00 0.00 C ATOM 1071 O ILE X 75 75.724 -2.777 0.985 1.00 0.00 O ATOM 1072 CB ILE X 75 73.819 -4.093 -1.005 1.00 0.00 C ATOM 1073 CG1 ILE X 75 72.376 -4.364 -0.626 1.00 0.00 C ATOM 1074 CG2 ILE X 75 74.183 -4.547 -2.387 1.00 0.00 C ATOM 1075 CD1 ILE X 75 71.350 -3.677 -1.454 1.00 0.00 C ATOM 0 H ILE X 75 73.391 -6.281 0.278 1.00 0.00 H new ATOM 0 HA ILE X 75 75.702 -4.919 -0.449 1.00 0.00 H new ATOM 0 HB ILE X 75 73.935 -3.009 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE X 75 72.201 -5.438 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE X 75 72.232 -4.071 0.414 1.00 0.00 H new ATOM 0 HG21 ILE X 75 73.494 -4.106 -3.108 1.00 0.00 H new ATOM 0 HG22 ILE X 75 75.201 -4.232 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE X 75 74.119 -5.634 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE X 75 70.356 -3.942 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE X 75 71.486 -2.598 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE X 75 71.455 -3.986 -2.494 1.00 0.00 H new ATOM 1087 N VAL X 76 74.175 -3.798 2.184 1.00 0.00 N ATOM 1088 CA VAL X 76 74.279 -2.933 3.280 1.00 0.00 C ATOM 1089 C VAL X 76 75.685 -2.970 3.896 1.00 0.00 C ATOM 1090 O VAL X 76 76.213 -1.955 4.325 1.00 0.00 O ATOM 1091 CB VAL X 76 73.217 -3.249 4.304 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.846 -2.950 3.814 1.00 0.00 C ATOM 1093 CG2 VAL X 76 73.316 -4.628 4.862 1.00 0.00 C ATOM 0 H VAL X 76 73.472 -4.528 2.294 1.00 0.00 H new ATOM 0 HA VAL X 76 74.115 -1.916 2.925 1.00 0.00 H new ATOM 0 HB VAL X 76 73.417 -2.574 5.136 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.121 -3.196 4.590 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.770 -1.891 3.569 1.00 0.00 H new ATOM 0 HG13 VAL X 76 71.640 -3.544 2.924 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.521 -4.783 5.591 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.216 -5.355 4.056 1.00 0.00 H new ATOM 0 HG23 VAL X 76 74.283 -4.755 5.348 1.00 0.00 H new ATOM 1103 N LYS X 77 76.274 -4.139 3.897 1.00 0.00 N ATOM 1104 CA LYS X 77 77.646 -4.334 4.336 1.00 0.00 C ATOM 1105 C LYS X 77 78.602 -3.613 3.377 1.00 0.00 C ATOM 1106 O LYS X 77 79.541 -2.938 3.801 1.00 0.00 O ATOM 1107 CB LYS X 77 77.970 -5.826 4.420 1.00 0.00 C ATOM 1108 CG LYS X 77 79.374 -6.136 4.908 1.00 0.00 C ATOM 1109 CD LYS X 77 79.563 -7.621 5.143 1.00 0.00 C ATOM 1110 CE LYS X 77 80.974 -7.936 5.603 1.00 0.00 C ATOM 1111 NZ LYS X 77 81.101 -9.335 6.053 1.00 0.00 N ATOM 0 H LYS X 77 75.815 -4.997 3.591 1.00 0.00 H new ATOM 0 HA LYS X 77 77.770 -3.910 5.332 1.00 0.00 H new ATOM 0 HB2 LYS X 77 77.253 -6.304 5.087 1.00 0.00 H new ATOM 0 HB3 LYS X 77 77.834 -6.271 3.434 1.00 0.00 H new ATOM 0 HG2 LYS X 77 80.101 -5.787 4.175 1.00 0.00 H new ATOM 0 HG3 LYS X 77 79.568 -5.592 5.833 1.00 0.00 H new ATOM 0 HD2 LYS X 77 78.850 -7.966 5.892 1.00 0.00 H new ATOM 0 HD3 LYS X 77 79.349 -8.166 4.224 1.00 0.00 H new ATOM 0 HE2 LYS X 77 81.673 -7.751 4.787 1.00 0.00 H new ATOM 0 HE3 LYS X 77 81.250 -7.265 6.417 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 82.043 -9.697 5.801 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 80.978 -9.380 7.085 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 80.372 -9.916 5.591 1.00 0.00 H new ATOM 1125 N GLU X 78 78.312 -3.730 2.089 1.00 0.00 N ATOM 1126 CA GLU X 78 79.057 -3.042 1.030 1.00 0.00 C ATOM 1127 C GLU X 78 78.999 -1.532 1.287 1.00 0.00 C ATOM 1128 O GLU X 78 80.024 -0.824 1.233 1.00 0.00 O ATOM 1129 CB GLU X 78 78.415 -3.384 -0.354 1.00 0.00 C ATOM 1130 CG GLU X 78 78.983 -2.644 -1.551 1.00 0.00 C ATOM 1131 CD GLU X 78 80.351 -3.086 -1.947 1.00 0.00 C ATOM 1132 OE1 GLU X 78 81.328 -2.519 -1.464 1.00 0.00 O ATOM 1133 OE2 GLU X 78 80.473 -3.988 -2.805 1.00 0.00 O ATOM 0 H GLU X 78 77.548 -4.309 1.741 1.00 0.00 H new ATOM 0 HA GLU X 78 80.098 -3.365 1.025 1.00 0.00 H new ATOM 0 HB2 GLU X 78 78.524 -4.454 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.346 -3.177 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.311 -2.776 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU X 78 79.008 -1.578 -1.327 1.00 0.00 H new ATOM 1140 N ILE X 79 77.814 -1.075 1.627 1.00 0.00 N ATOM 1141 CA ILE X 79 77.561 0.315 1.879 1.00 0.00 C ATOM 1142 C ILE X 79 78.283 0.801 3.143 1.00 0.00 C ATOM 1143 O ILE X 79 78.952 1.847 3.125 1.00 0.00 O ATOM 1144 CB ILE X 79 76.041 0.579 2.047 1.00 0.00 C ATOM 1145 CG1 ILE X 79 75.289 0.189 0.778 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.772 2.037 2.409 1.00 0.00 C ATOM 1147 CD1 ILE X 79 73.792 0.293 0.889 1.00 0.00 C ATOM 0 H ILE X 79 76.993 -1.670 1.736 1.00 0.00 H new ATOM 0 HA ILE X 79 77.940 0.864 1.017 1.00 0.00 H new ATOM 0 HB ILE X 79 75.678 -0.040 2.868 1.00 0.00 H new ATOM 0 HG12 ILE X 79 75.626 0.825 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE X 79 75.552 -0.835 0.514 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.699 2.192 2.520 1.00 0.00 H new ATOM 0 HG22 ILE X 79 76.273 2.277 3.347 1.00 0.00 H new ATOM 0 HG23 ILE X 79 76.152 2.684 1.619 1.00 0.00 H new ATOM 0 HD11 ILE X 79 73.336 -0.002 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE X 79 73.439 -0.365 1.683 1.00 0.00 H new ATOM 0 HD13 ILE X 79 73.515 1.322 1.120 1.00 0.00 H new ATOM 1159 N LYS X 80 78.181 0.020 4.219 1.00 0.00 N ATOM 1160 CA LYS X 80 78.731 0.418 5.507 1.00 0.00 C ATOM 1161 C LYS X 80 80.244 0.537 5.450 1.00 0.00 C ATOM 1162 O LYS X 80 80.807 1.480 6.003 1.00 0.00 O ATOM 1163 CB LYS X 80 78.241 -0.503 6.668 1.00 0.00 C ATOM 1164 CG LYS X 80 78.761 -1.930 6.653 1.00 0.00 C ATOM 1165 CD LYS X 80 77.940 -2.866 7.568 1.00 0.00 C ATOM 1166 CE LYS X 80 78.016 -2.474 9.035 1.00 0.00 C ATOM 1167 NZ LYS X 80 77.263 -3.418 9.914 1.00 0.00 N ATOM 0 H LYS X 80 77.722 -0.891 4.220 1.00 0.00 H new ATOM 0 HA LYS X 80 78.345 1.412 5.733 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.527 -0.044 7.614 1.00 0.00 H new ATOM 0 HB3 LYS X 80 77.152 -0.534 6.645 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.737 -2.312 5.632 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.803 -1.937 6.972 1.00 0.00 H new ATOM 0 HD2 LYS X 80 76.898 -2.857 7.248 1.00 0.00 H new ATOM 0 HD3 LYS X 80 78.300 -3.888 7.451 1.00 0.00 H new ATOM 0 HE2 LYS X 80 79.060 -2.445 9.347 1.00 0.00 H new ATOM 0 HE3 LYS X 80 77.617 -1.467 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 77.258 -3.056 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 76.285 -3.505 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 77.721 -4.351 9.894 1.00 0.00 H new ATOM 1181 N GLU X 81 80.896 -0.362 4.711 1.00 0.00 N ATOM 1182 CA GLU X 81 82.340 -0.305 4.617 1.00 0.00 C ATOM 1183 C GLU X 81 82.798 0.892 3.794 1.00 0.00 C ATOM 1184 O GLU X 81 83.767 1.552 4.143 1.00 0.00 O ATOM 1185 CB GLU X 81 82.947 -1.594 4.072 1.00 0.00 C ATOM 1186 CG GLU X 81 82.631 -2.827 4.893 1.00 0.00 C ATOM 1187 CD GLU X 81 83.496 -3.998 4.520 1.00 0.00 C ATOM 1188 OE1 GLU X 81 83.277 -4.616 3.468 1.00 0.00 O ATOM 1189 OE2 GLU X 81 84.444 -4.310 5.283 1.00 0.00 O ATOM 0 H GLU X 81 80.454 -1.116 4.185 1.00 0.00 H new ATOM 0 HA GLU X 81 82.706 -0.184 5.637 1.00 0.00 H new ATOM 0 HB2 GLU X 81 82.590 -1.748 3.054 1.00 0.00 H new ATOM 0 HB3 GLU X 81 84.029 -1.477 4.016 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.766 -2.601 5.951 1.00 0.00 H new ATOM 0 HG3 GLU X 81 81.583 -3.094 4.755 1.00 0.00 H new ATOM 1196 N TRP X 82 82.066 1.192 2.733 1.00 0.00 N ATOM 1197 CA TRP X 82 82.403 2.302 1.834 1.00 0.00 C ATOM 1198 C TRP X 82 82.275 3.615 2.577 1.00 0.00 C ATOM 1199 O TRP X 82 83.166 4.481 2.535 1.00 0.00 O ATOM 1200 CB TRP X 82 81.415 2.336 0.688 1.00 0.00 C ATOM 1201 CG TRP X 82 81.801 3.247 -0.447 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.650 2.961 -1.479 1.00 0.00 C ATOM 1203 CD2 TRP X 82 81.337 4.581 -0.675 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.730 4.028 -2.335 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.937 5.033 -1.865 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.468 5.433 0.010 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.696 6.298 -2.384 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.235 6.686 -0.503 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.842 7.106 -1.692 1.00 0.00 C ATOM 0 H TRP X 82 81.225 0.681 2.465 1.00 0.00 H new ATOM 0 HA TRP X 82 83.421 2.162 1.470 1.00 0.00 H new ATOM 0 HB2 TRP X 82 81.294 1.325 0.300 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.444 2.648 1.072 1.00 0.00 H new ATOM 0 HD1 TRP X 82 83.181 2.029 -1.602 1.00 0.00 H new ATOM 0 HE1 TRP X 82 83.292 4.065 -3.186 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.989 5.114 0.924 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 82.166 6.629 -3.299 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.572 7.359 0.020 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.629 8.095 -2.071 1.00 0.00 H new ATOM 1220 N ARG X 83 81.158 3.737 3.267 1.00 0.00 N ATOM 1221 CA ARG X 83 80.800 4.924 3.997 1.00 0.00 C ATOM 1222 C ARG X 83 81.863 5.178 5.075 1.00 0.00 C ATOM 1223 O ARG X 83 82.365 6.302 5.221 1.00 0.00 O ATOM 1224 CB ARG X 83 79.467 4.671 4.682 1.00 0.00 C ATOM 1225 CG ARG X 83 78.720 5.887 5.139 1.00 0.00 C ATOM 1226 CD ARG X 83 77.971 6.658 4.041 1.00 0.00 C ATOM 1227 NE ARG X 83 77.225 7.787 4.662 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.834 8.940 4.083 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.879 9.093 2.770 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.321 9.917 4.845 1.00 0.00 N ATOM 0 H ARG X 83 80.463 2.994 3.333 1.00 0.00 H new ATOM 0 HA ARG X 83 80.733 5.781 3.327 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.829 4.114 3.996 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.641 4.030 5.546 1.00 0.00 H new ATOM 0 HG2 ARG X 83 78.001 5.585 5.901 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.425 6.566 5.618 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.675 7.035 3.299 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.282 5.994 3.518 1.00 0.00 H new ATOM 0 HE ARG X 83 76.980 7.674 5.646 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.213 8.332 2.179 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.579 9.972 2.348 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.230 9.784 5.852 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.022 10.793 4.417 1.00 0.00 H new ATOM 1244 N ALA X 84 82.228 4.113 5.787 1.00 0.00 N ATOM 1245 CA ALA X 84 83.212 4.181 6.860 1.00 0.00 C ATOM 1246 C ALA X 84 84.616 4.467 6.335 1.00 0.00 C ATOM 1247 O ALA X 84 85.359 5.252 6.933 1.00 0.00 O ATOM 1248 CB ALA X 84 83.194 2.904 7.684 1.00 0.00 C ATOM 0 H ALA X 84 81.848 3.179 5.634 1.00 0.00 H new ATOM 0 HA ALA X 84 82.934 5.016 7.503 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.935 2.974 8.480 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.205 2.767 8.121 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.429 2.054 7.043 1.00 0.00 H new ATOM 1254 N ALA X 85 84.969 3.850 5.204 1.00 0.00 N ATOM 1255 CA ALA X 85 86.286 4.031 4.582 1.00 0.00 C ATOM 1256 C ALA X 85 86.507 5.474 4.163 1.00 0.00 C ATOM 1257 O ALA X 85 87.640 5.974 4.178 1.00 0.00 O ATOM 1258 CB ALA X 85 86.453 3.105 3.390 1.00 0.00 C ATOM 0 H ALA X 85 84.355 3.214 4.695 1.00 0.00 H new ATOM 0 HA ALA X 85 87.038 3.777 5.329 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.437 3.258 2.946 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.359 2.070 3.718 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.683 3.322 2.650 1.00 0.00 H new ATOM 1264 N ASN X 86 85.441 6.138 3.774 1.00 0.00 N ATOM 1265 CA ASN X 86 85.522 7.548 3.430 1.00 0.00 C ATOM 1266 C ASN X 86 85.548 8.363 4.710 1.00 0.00 C ATOM 1267 O ASN X 86 86.418 9.214 4.912 1.00 0.00 O ATOM 1268 CB ASN X 86 84.316 7.989 2.601 1.00 0.00 C ATOM 1269 CG ASN X 86 84.410 9.450 2.172 1.00 0.00 C ATOM 1270 OD1 ASN X 86 84.053 10.350 2.920 1.00 0.00 O ATOM 1271 ND2 ASN X 86 84.761 9.681 0.951 1.00 0.00 N ATOM 0 H ASN X 86 84.510 5.730 3.687 1.00 0.00 H new ATOM 0 HA ASN X 86 86.426 7.706 2.842 1.00 0.00 H new ATOM 0 HB2 ASN X 86 84.236 7.357 1.716 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.405 7.841 3.182 1.00 0.00 H new ATOM 0 HD21 ASN X 86 84.745 10.634 0.587 1.00 0.00 H new ATOM 0 HD22 ASN X 86 85.054 8.911 0.350 1.00 0.00 H new ATOM 1278 N GLY X 87 84.625 8.054 5.589 1.00 0.00 N ATOM 1279 CA GLY X 87 84.483 8.784 6.816 1.00 0.00 C ATOM 1280 C GLY X 87 83.161 9.488 6.851 1.00 0.00 C ATOM 1281 O GLY X 87 83.038 10.591 7.381 1.00 0.00 O ATOM 0 H GLY X 87 83.957 7.293 5.471 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.563 8.103 7.664 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.292 9.509 6.912 1.00 0.00 H new ATOM 1285 N LYS X 88 82.166 8.857 6.266 1.00 0.00 N ATOM 1286 CA LYS X 88 80.877 9.376 6.190 1.00 0.00 C ATOM 1287 C LYS X 88 80.035 8.633 7.220 1.00 0.00 C ATOM 1288 O LYS X 88 80.252 7.433 7.418 1.00 0.00 O ATOM 1289 CB LYS X 88 80.364 9.072 4.803 1.00 0.00 C ATOM 1290 CG LYS X 88 81.043 9.792 3.652 1.00 0.00 C ATOM 1291 CD LYS X 88 80.550 9.242 2.313 1.00 0.00 C ATOM 1292 CE LYS X 88 81.245 9.881 1.116 1.00 0.00 C ATOM 1293 NZ LYS X 88 81.019 11.330 1.020 1.00 0.00 N ATOM 0 H LYS X 88 82.267 7.942 5.826 1.00 0.00 H new ATOM 0 HA LYS X 88 80.843 10.449 6.380 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.455 7.999 4.634 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.301 9.310 4.774 1.00 0.00 H new ATOM 0 HG2 LYS X 88 80.837 10.861 3.711 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.124 9.671 3.726 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.711 8.164 2.287 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.475 9.406 2.232 1.00 0.00 H new ATOM 0 HE2 LYS X 88 82.316 9.691 1.182 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.892 9.404 0.202 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 81.460 11.693 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 79.997 11.521 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 81.440 11.802 1.845 1.00 0.00 H new ATOM 1307 N PRO X 89 79.113 9.302 7.913 1.00 0.00 N ATOM 1308 CA PRO X 89 78.237 8.641 8.888 1.00 0.00 C ATOM 1309 C PRO X 89 77.345 7.618 8.210 1.00 0.00 C ATOM 1310 O PRO X 89 76.610 7.952 7.278 1.00 0.00 O ATOM 1311 CB PRO X 89 77.392 9.777 9.466 1.00 0.00 C ATOM 1312 CG PRO X 89 78.139 11.018 9.131 1.00 0.00 C ATOM 1313 CD PRO X 89 78.851 10.743 7.841 1.00 0.00 C ATOM 0 HA PRO X 89 78.802 8.102 9.649 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.393 9.787 9.030 1.00 0.00 H new ATOM 0 HB3 PRO X 89 77.269 9.669 10.544 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.460 11.865 9.028 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.847 11.271 9.920 1.00 0.00 H new ATOM 0 HD2 PRO X 89 78.237 10.999 6.978 1.00 0.00 H new ATOM 0 HD3 PRO X 89 79.773 11.318 7.758 1.00 0.00 H new ATOM 1321 N GLY X 90 77.444 6.385 8.638 1.00 0.00 N ATOM 1322 CA GLY X 90 76.674 5.330 8.044 1.00 0.00 C ATOM 1323 C GLY X 90 75.407 5.063 8.789 1.00 0.00 C ATOM 1324 O GLY X 90 74.714 5.997 9.200 1.00 0.00 O ATOM 0 H GLY X 90 78.054 6.089 9.400 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.438 5.592 7.013 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.273 4.420 8.012 1.00 0.00 H new ATOM 1328 N PHE X 91 75.123 3.810 8.993 1.00 0.00 N ATOM 1329 CA PHE X 91 73.911 3.402 9.650 1.00 0.00 C ATOM 1330 C PHE X 91 74.071 3.584 11.138 1.00 0.00 C ATOM 1331 O PHE X 91 75.192 3.429 11.680 1.00 0.00 O ATOM 1332 CB PHE X 91 73.614 1.925 9.366 1.00 0.00 C ATOM 1333 CG PHE X 91 73.667 1.551 7.915 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.845 2.167 6.996 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.555 0.586 7.473 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.908 1.827 5.664 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.616 0.244 6.140 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.793 0.865 5.236 1.00 0.00 C ATOM 0 H PHE X 91 75.726 3.038 8.708 1.00 0.00 H new ATOM 0 HA PHE X 91 73.088 4.011 9.275 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.329 1.311 9.913 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.625 1.685 9.755 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.146 2.922 7.324 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.207 0.096 8.181 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.260 2.317 4.952 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.311 -0.512 5.807 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.840 0.599 4.190 1.00 0.00 H new ATOM 1348 N LYS X 92 72.999 3.913 11.799 1.00 0.00 N ATOM 1349 CA LYS X 92 73.007 4.037 13.191 1.00 0.00 C ATOM 1350 C LYS X 92 72.764 2.669 13.782 1.00 0.00 C ATOM 1351 O LYS X 92 72.501 1.696 13.055 1.00 0.00 O ATOM 1352 CB LYS X 92 71.911 4.986 13.655 1.00 0.00 C ATOM 1353 CG LYS X 92 70.498 4.511 13.407 1.00 0.00 C ATOM 1354 CD LYS X 92 69.461 5.283 14.226 1.00 0.00 C ATOM 1355 CE LYS X 92 69.598 5.009 15.726 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.516 5.635 16.514 1.00 0.00 N ATOM 0 H LYS X 92 72.096 4.100 11.364 1.00 0.00 H new ATOM 0 HA LYS X 92 73.967 4.439 13.516 1.00 0.00 H new ATOM 0 HB2 LYS X 92 72.035 5.163 14.723 1.00 0.00 H new ATOM 0 HB3 LYS X 92 72.048 5.945 13.155 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.266 4.613 12.347 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.428 3.450 13.648 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.574 6.351 14.040 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.459 5.007 13.897 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.593 3.933 15.898 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.561 5.383 16.074 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.653 5.421 17.523 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.535 6.665 16.373 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.598 5.260 16.202 1.00 0.00 H new ATOM 1370 N GLN X 93 72.848 2.583 15.052 1.00 0.00 N ATOM 1371 CA GLN X 93 72.598 1.390 15.737 1.00 0.00 C ATOM 1372 C GLN X 93 71.430 1.604 16.648 1.00 0.00 C ATOM 1373 O GLN X 93 71.306 2.669 17.258 1.00 0.00 O ATOM 1374 CB GLN X 93 73.803 1.044 16.530 1.00 0.00 C ATOM 1375 CG GLN X 93 75.010 0.596 15.715 1.00 0.00 C ATOM 1376 CD GLN X 93 74.748 -0.629 14.837 1.00 0.00 C ATOM 1377 OE1 GLN X 93 74.915 -1.764 15.268 1.00 0.00 O ATOM 1378 NE2 GLN X 93 74.352 -0.413 13.610 1.00 0.00 N ATOM 0 H GLN X 93 73.100 3.365 15.656 1.00 0.00 H new ATOM 0 HA GLN X 93 72.374 0.580 15.043 1.00 0.00 H new ATOM 0 HB2 GLN X 93 74.088 1.912 17.125 1.00 0.00 H new ATOM 0 HB3 GLN X 93 73.542 0.250 17.230 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.334 1.422 15.082 1.00 0.00 H new ATOM 0 HG3 GLN X 93 75.832 0.374 16.395 1.00 0.00 H new ATOM 0 HE21 GLN X 93 74.221 0.542 13.277 1.00 0.00 H new ATOM 0 HE22 GLN X 93 74.174 -1.200 12.986 1.00 0.00 H new ATOM 1387 N GLY X 94 70.587 0.639 16.711 1.00 0.00 N ATOM 1388 CA GLY X 94 69.434 0.693 17.533 1.00 0.00 C ATOM 1389 C GLY X 94 68.874 -0.683 17.650 1.00 0.00 C ATOM 1390 O GLY X 94 69.138 -1.495 16.726 1.00 0.00 O ATOM 1391 OXT GLY X 94 68.175 -0.993 18.633 1.00 0.00 O ATOM 0 H GLY X 94 70.681 -0.228 16.182 1.00 0.00 H new ATOM 0 HA2 GLY X 94 69.689 1.084 18.518 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.694 1.368 17.104 1.00 0.00 H new TER 1395 GLY X 94