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 26 ASN : amide:sc= -0.525 X(o=-0.5,f=-0.32) USER MOD Set 1.2: X 55 TYR OH : rot 180:sc= 0.0279 USER MOD Set 2.1: X 10 TYR OH : rot 180:sc= 0.168 USER MOD Set 2.2: X 40 HIS : no HE2:sc= -1.01! C(o=-0.84!,f=-6.3!) USER MOD Set 3.1: X 6 SER OG : rot 114:sc= 1.3 USER MOD Set 3.2: X 8 SER OG : rot 180:sc= 1.14 USER MOD Single : X 4 LYS NZ :NH3+ -140:sc= 0.361 (180deg=-3.38!) USER MOD Single : X 5 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.785 USER MOD Single : X 17 GLN : amide:sc= 0.418 X(o=0.42,f=0.91) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ -165:sc= -0.0638 (180deg=-0.426) USER MOD Single : X 30 THR OG1 : rot -76:sc= -2.71! USER MOD Single : X 43 LYS NZ :NH3+ -165:sc= -0.0453 (180deg=-0.297) USER MOD Single : X 45 THR OG1 : rot -92:sc= 0.384 USER MOD Single : X 47 HIS : no HD1:sc= -2.69 K(o=-2.7,f=-5.5!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : X 64 ASN : amide:sc= 0.5 K(o=0.5,f=-0.028) USER MOD Single : X 77 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.1) USER MOD Single : X 80 LYS NZ :NH3+ 164:sc= -0.0137 (180deg=-0.2) USER MOD Single : X 86 ASN : amide:sc= -1.37 X(o=-1.4,f=-0.98) USER MOD Single : X 88 LYS NZ :NH3+ 175:sc= 1.32 (180deg=1.11) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 60.974 1.954 8.877 1.00 0.00 N ATOM 2 CA GLU X 2 60.559 3.295 8.471 1.00 0.00 C ATOM 3 C GLU X 2 61.621 3.893 7.587 1.00 0.00 C ATOM 4 O GLU X 2 62.793 3.552 7.707 1.00 0.00 O ATOM 5 CB GLU X 2 60.389 4.193 9.688 1.00 0.00 C ATOM 6 CG GLU X 2 59.323 3.769 10.675 1.00 0.00 C ATOM 7 CD GLU X 2 59.325 4.654 11.895 1.00 0.00 C ATOM 8 OE1 GLU X 2 58.982 5.836 11.785 1.00 0.00 O ATOM 9 OE2 GLU X 2 59.722 4.203 12.982 1.00 0.00 O ATOM 0 HA GLU X 2 59.610 3.220 7.941 1.00 0.00 H new ATOM 0 HB2 GLU X 2 61.343 4.246 10.213 1.00 0.00 H new ATOM 0 HB3 GLU X 2 60.158 5.201 9.343 1.00 0.00 H new ATOM 0 HG2 GLU X 2 58.345 3.808 10.196 1.00 0.00 H new ATOM 0 HG3 GLU X 2 59.491 2.734 10.973 1.00 0.00 H new ATOM 16 N LEU X 3 61.220 4.776 6.715 1.00 0.00 N ATOM 17 CA LEU X 3 62.141 5.448 5.839 1.00 0.00 C ATOM 18 C LEU X 3 62.570 6.733 6.503 1.00 0.00 C ATOM 19 O LEU X 3 61.735 7.490 6.981 1.00 0.00 O ATOM 20 CB LEU X 3 61.488 5.750 4.480 1.00 0.00 C ATOM 21 CG LEU X 3 60.940 4.546 3.710 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.439 4.961 2.322 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.994 3.462 3.601 1.00 0.00 C ATOM 0 H LEU X 3 60.246 5.051 6.591 1.00 0.00 H new ATOM 0 HA LEU X 3 63.003 4.807 5.656 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.671 6.454 4.641 1.00 0.00 H new ATOM 0 HB3 LEU X 3 62.223 6.253 3.851 1.00 0.00 H new ATOM 0 HG LEU X 3 60.091 4.146 4.264 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.055 4.086 1.797 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.643 5.699 2.428 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.262 5.394 1.753 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.588 2.613 3.051 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.865 3.853 3.074 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.289 3.139 4.600 1.00 0.00 H new ATOM 35 N LYS X 4 63.840 6.955 6.585 1.00 0.00 N ATOM 36 CA LYS X 4 64.366 8.137 7.228 1.00 0.00 C ATOM 37 C LYS X 4 64.818 9.139 6.160 1.00 0.00 C ATOM 38 O LYS X 4 64.936 8.790 4.999 1.00 0.00 O ATOM 39 CB LYS X 4 65.575 7.777 8.088 1.00 0.00 C ATOM 40 CG LYS X 4 65.519 6.443 8.839 1.00 0.00 C ATOM 41 CD LYS X 4 64.276 6.238 9.646 1.00 0.00 C ATOM 42 CE LYS X 4 64.562 5.243 10.753 1.00 0.00 C ATOM 43 NZ LYS X 4 63.368 4.777 11.469 1.00 0.00 N ATOM 0 H LYS X 4 64.552 6.328 6.211 1.00 0.00 H new ATOM 0 HA LYS X 4 63.585 8.569 7.853 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.457 7.769 7.447 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.720 8.572 8.819 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.607 5.630 8.118 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.382 6.377 9.501 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.942 7.185 10.069 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.471 5.871 9.010 1.00 0.00 H new ATOM 0 HE2 LYS X 4 65.076 4.381 10.327 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.245 5.700 11.469 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.578 4.708 12.485 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.590 5.451 11.321 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 63.090 3.842 11.108 1.00 0.00 H new ATOM 57 N ASN X 5 65.098 10.364 6.555 1.00 0.00 N ATOM 58 CA ASN X 5 65.554 11.384 5.606 1.00 0.00 C ATOM 59 C ASN X 5 67.046 11.236 5.341 1.00 0.00 C ATOM 60 O ASN X 5 67.556 11.596 4.263 1.00 0.00 O ATOM 61 CB ASN X 5 65.258 12.804 6.116 1.00 0.00 C ATOM 62 CG ASN X 5 65.644 13.877 5.096 1.00 0.00 C ATOM 63 OD1 ASN X 5 66.769 14.399 5.100 1.00 0.00 O ATOM 64 ND2 ASN X 5 64.730 14.209 4.218 1.00 0.00 N ATOM 0 H ASN X 5 65.021 10.686 7.520 1.00 0.00 H new ATOM 0 HA ASN X 5 65.004 11.233 4.677 1.00 0.00 H new ATOM 0 HB2 ASN X 5 64.197 12.891 6.348 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.802 12.975 7.045 1.00 0.00 H new ATOM 0 HD21 ASN X 5 64.935 14.915 3.511 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.814 13.761 4.241 1.00 0.00 H new ATOM 71 N SER X 6 67.735 10.697 6.309 1.00 0.00 N ATOM 72 CA SER X 6 69.145 10.508 6.218 1.00 0.00 C ATOM 73 C SER X 6 69.548 9.119 6.679 1.00 0.00 C ATOM 74 O SER X 6 68.796 8.446 7.394 1.00 0.00 O ATOM 75 CB SER X 6 69.854 11.572 7.029 1.00 0.00 C ATOM 76 OG SER X 6 69.270 11.696 8.325 1.00 0.00 O ATOM 0 H SER X 6 67.325 10.377 7.186 1.00 0.00 H new ATOM 0 HA SER X 6 69.441 10.600 5.173 1.00 0.00 H new ATOM 0 HB2 SER X 6 70.910 11.319 7.124 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.800 12.528 6.508 1.00 0.00 H new ATOM 0 HG SER X 6 69.914 11.403 9.003 1.00 0.00 H new ATOM 82 N ILE X 7 70.758 8.730 6.312 1.00 0.00 N ATOM 83 CA ILE X 7 71.330 7.420 6.625 1.00 0.00 C ATOM 84 C ILE X 7 71.585 7.308 8.147 1.00 0.00 C ATOM 85 O ILE X 7 71.652 6.225 8.706 1.00 0.00 O ATOM 86 CB ILE X 7 72.691 7.257 5.857 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.162 5.813 5.782 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.788 8.156 6.404 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.435 5.031 4.729 1.00 0.00 C ATOM 0 H ILE X 7 71.388 9.326 5.776 1.00 0.00 H new ATOM 0 HA ILE X 7 70.634 6.638 6.320 1.00 0.00 H new ATOM 0 HB ILE X 7 72.480 7.581 4.838 1.00 0.00 H new ATOM 0 HG12 ILE X 7 74.232 5.792 5.573 1.00 0.00 H new ATOM 0 HG13 ILE X 7 73.017 5.335 6.751 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.704 8.000 5.834 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.481 9.198 6.318 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.967 7.915 7.452 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.807 4.007 4.715 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.368 5.026 4.951 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.601 5.491 3.755 1.00 0.00 H new ATOM 101 N SER X 8 71.614 8.453 8.792 1.00 0.00 N ATOM 102 CA SER X 8 71.989 8.591 10.164 1.00 0.00 C ATOM 103 C SER X 8 70.888 8.144 11.122 1.00 0.00 C ATOM 104 O SER X 8 71.136 7.899 12.301 1.00 0.00 O ATOM 105 CB SER X 8 72.362 10.044 10.377 1.00 0.00 C ATOM 106 OG SER X 8 71.358 10.903 9.836 1.00 0.00 O ATOM 0 H SER X 8 71.367 9.339 8.352 1.00 0.00 H new ATOM 0 HA SER X 8 72.834 7.938 10.384 1.00 0.00 H new ATOM 0 HB2 SER X 8 72.483 10.242 11.442 1.00 0.00 H new ATOM 0 HB3 SER X 8 73.321 10.253 9.903 1.00 0.00 H new ATOM 0 HG SER X 8 71.613 11.838 9.983 1.00 0.00 H new ATOM 112 N ASP X 9 69.680 8.020 10.618 1.00 0.00 N ATOM 113 CA ASP X 9 68.573 7.588 11.457 1.00 0.00 C ATOM 114 C ASP X 9 68.274 6.141 11.126 1.00 0.00 C ATOM 115 O ASP X 9 67.395 5.517 11.692 1.00 0.00 O ATOM 116 CB ASP X 9 67.332 8.441 11.195 1.00 0.00 C ATOM 117 CG ASP X 9 66.368 8.475 12.369 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.589 9.289 13.295 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.376 7.730 12.395 1.00 0.00 O ATOM 0 H ASP X 9 69.436 8.208 9.646 1.00 0.00 H new ATOM 0 HA ASP X 9 68.843 7.697 12.507 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.642 9.459 10.959 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.812 8.055 10.318 1.00 0.00 H new ATOM 124 N TYR X 10 69.069 5.601 10.245 1.00 0.00 N ATOM 125 CA TYR X 10 68.864 4.266 9.747 1.00 0.00 C ATOM 126 C TYR X 10 69.720 3.319 10.483 1.00 0.00 C ATOM 127 O TYR X 10 70.924 3.490 10.519 1.00 0.00 O ATOM 128 CB TYR X 10 69.220 4.139 8.246 1.00 0.00 C ATOM 129 CG TYR X 10 68.086 4.330 7.272 1.00 0.00 C ATOM 130 CD1 TYR X 10 67.214 3.289 7.006 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.898 5.522 6.602 1.00 0.00 C ATOM 132 CE1 TYR X 10 66.178 3.426 6.114 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.858 5.670 5.701 1.00 0.00 C ATOM 134 CZ TYR X 10 66.005 4.615 5.466 1.00 0.00 C ATOM 135 OH TYR X 10 64.953 4.765 4.613 1.00 0.00 O ATOM 0 H TYR X 10 69.881 6.075 9.849 1.00 0.00 H new ATOM 0 HA TYR X 10 67.806 4.041 9.885 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.996 4.869 8.015 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.652 3.152 8.079 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.351 2.345 7.512 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.570 6.348 6.783 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.507 2.601 5.927 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.716 6.608 5.185 1.00 0.00 H new ATOM 0 HH TYR X 10 64.967 5.668 4.231 1.00 0.00 H new ATOM 145 N THR X 11 69.132 2.356 11.118 1.00 0.00 N ATOM 146 CA THR X 11 69.910 1.281 11.616 1.00 0.00 C ATOM 147 C THR X 11 70.154 0.413 10.408 1.00 0.00 C ATOM 148 O THR X 11 69.446 0.573 9.385 1.00 0.00 O ATOM 149 CB THR X 11 69.163 0.455 12.699 1.00 0.00 C ATOM 150 OG1 THR X 11 67.952 -0.075 12.169 1.00 0.00 O ATOM 151 CG2 THR X 11 68.849 1.286 13.929 1.00 0.00 C ATOM 0 H THR X 11 68.130 2.296 11.299 1.00 0.00 H new ATOM 0 HA THR X 11 70.819 1.647 12.093 1.00 0.00 H new ATOM 0 HB THR X 11 69.825 -0.358 12.996 1.00 0.00 H new ATOM 0 HG1 THR X 11 67.492 -0.595 12.861 1.00 0.00 H new ATOM 0 HG21 THR X 11 68.327 0.670 14.661 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.777 1.658 14.364 1.00 0.00 H new ATOM 0 HG23 THR X 11 68.217 2.129 13.647 1.00 0.00 H new ATOM 159 N GLU X 12 71.103 -0.468 10.464 1.00 0.00 N ATOM 160 CA GLU X 12 71.320 -1.340 9.344 1.00 0.00 C ATOM 161 C GLU X 12 70.059 -2.169 9.034 1.00 0.00 C ATOM 162 O GLU X 12 69.720 -2.355 7.892 1.00 0.00 O ATOM 163 CB GLU X 12 72.587 -2.181 9.513 1.00 0.00 C ATOM 164 CG GLU X 12 72.737 -2.826 10.866 1.00 0.00 C ATOM 165 CD GLU X 12 73.971 -3.679 10.965 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.067 -4.700 10.254 1.00 0.00 O ATOM 167 OE2 GLU X 12 74.873 -3.343 11.766 1.00 0.00 O ATOM 0 H GLU X 12 71.731 -0.605 11.256 1.00 0.00 H new ATOM 0 HA GLU X 12 71.501 -0.725 8.462 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.594 -2.960 8.751 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.455 -1.548 9.329 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.773 -2.051 11.632 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.859 -3.438 11.072 1.00 0.00 H new ATOM 174 N ALA X 13 69.325 -2.562 10.072 1.00 0.00 N ATOM 175 CA ALA X 13 68.065 -3.300 9.904 1.00 0.00 C ATOM 176 C ALA X 13 66.933 -2.413 9.321 1.00 0.00 C ATOM 177 O ALA X 13 66.149 -2.880 8.496 1.00 0.00 O ATOM 178 CB ALA X 13 67.640 -3.925 11.204 1.00 0.00 C ATOM 0 H ALA X 13 69.578 -2.383 11.044 1.00 0.00 H new ATOM 0 HA ALA X 13 68.251 -4.092 9.178 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.705 -4.467 11.059 1.00 0.00 H new ATOM 0 HB2 ALA X 13 68.411 -4.616 11.545 1.00 0.00 H new ATOM 0 HB3 ALA X 13 67.495 -3.146 11.952 1.00 0.00 H new ATOM 184 N GLU X 14 66.842 -1.140 9.755 1.00 0.00 N ATOM 185 CA GLU X 14 65.866 -0.191 9.155 1.00 0.00 C ATOM 186 C GLU X 14 66.138 -0.064 7.685 1.00 0.00 C ATOM 187 O GLU X 14 65.227 0.022 6.858 1.00 0.00 O ATOM 188 CB GLU X 14 65.963 1.209 9.795 1.00 0.00 C ATOM 189 CG GLU X 14 65.206 1.383 11.098 1.00 0.00 C ATOM 190 CD GLU X 14 63.706 1.312 10.907 1.00 0.00 C ATOM 191 OE1 GLU X 14 63.096 2.310 10.448 1.00 0.00 O ATOM 192 OE2 GLU X 14 63.099 0.276 11.234 1.00 0.00 O ATOM 0 H GLU X 14 67.415 -0.746 10.501 1.00 0.00 H new ATOM 0 HA GLU X 14 64.866 -0.585 9.334 1.00 0.00 H new ATOM 0 HB2 GLU X 14 67.014 1.437 9.972 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.594 1.943 9.079 1.00 0.00 H new ATOM 0 HG2 GLU X 14 65.517 0.611 11.802 1.00 0.00 H new ATOM 0 HG3 GLU X 14 65.468 2.343 11.542 1.00 0.00 H new ATOM 199 N PHE X 15 67.398 -0.086 7.371 1.00 0.00 N ATOM 200 CA PHE X 15 67.841 0.047 6.042 1.00 0.00 C ATOM 201 C PHE X 15 67.591 -1.241 5.265 1.00 0.00 C ATOM 202 O PHE X 15 67.180 -1.181 4.118 1.00 0.00 O ATOM 203 CB PHE X 15 69.304 0.438 6.041 1.00 0.00 C ATOM 204 CG PHE X 15 69.819 0.934 4.737 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.477 2.187 4.274 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.675 0.173 4.000 1.00 0.00 C ATOM 207 CE1 PHE X 15 69.992 2.651 3.090 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.189 0.628 2.817 1.00 0.00 C ATOM 209 CZ PHE X 15 70.845 1.869 2.367 1.00 0.00 C ATOM 0 H PHE X 15 68.149 -0.199 8.052 1.00 0.00 H new ATOM 0 HA PHE X 15 67.278 0.834 5.540 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.459 1.211 6.794 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.896 -0.426 6.344 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.801 2.806 4.846 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.953 -0.808 4.356 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.723 3.633 2.731 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.863 0.009 2.243 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.250 2.234 1.435 1.00 0.00 H new ATOM 219 N VAL X 16 67.807 -2.416 5.897 1.00 0.00 N ATOM 220 CA VAL X 16 67.559 -3.688 5.207 1.00 0.00 C ATOM 221 C VAL X 16 66.095 -3.835 4.833 1.00 0.00 C ATOM 222 O VAL X 16 65.788 -4.469 3.850 1.00 0.00 O ATOM 223 CB VAL X 16 68.050 -4.985 5.940 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.471 -4.922 6.381 1.00 0.00 C ATOM 225 CG2 VAL X 16 67.140 -5.440 7.028 1.00 0.00 C ATOM 0 H VAL X 16 68.143 -2.504 6.856 1.00 0.00 H new ATOM 0 HA VAL X 16 68.182 -3.614 4.315 1.00 0.00 H new ATOM 0 HB VAL X 16 68.008 -5.758 5.173 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.739 -5.854 6.880 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.115 -4.776 5.514 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.601 -4.090 7.073 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.545 -6.341 7.488 1.00 0.00 H new ATOM 0 HG22 VAL X 16 67.052 -4.656 7.781 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.156 -5.656 6.613 1.00 0.00 H new ATOM 235 N GLN X 17 65.205 -3.233 5.629 1.00 0.00 N ATOM 236 CA GLN X 17 63.796 -3.215 5.347 1.00 0.00 C ATOM 237 C GLN X 17 63.576 -2.551 3.998 1.00 0.00 C ATOM 238 O GLN X 17 62.920 -3.105 3.115 1.00 0.00 O ATOM 239 CB GLN X 17 63.101 -2.390 6.409 1.00 0.00 C ATOM 240 CG GLN X 17 61.642 -2.266 6.164 1.00 0.00 C ATOM 241 CD GLN X 17 60.986 -1.155 6.940 1.00 0.00 C ATOM 242 OE1 GLN X 17 61.402 -0.794 8.046 1.00 0.00 O ATOM 243 NE2 GLN X 17 59.979 -0.574 6.348 1.00 0.00 N ATOM 0 H GLN X 17 65.460 -2.746 6.488 1.00 0.00 H new ATOM 0 HA GLN X 17 63.401 -4.231 5.336 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.265 -2.846 7.385 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.547 -1.396 6.443 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.475 -2.101 5.100 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.159 -3.209 6.420 1.00 0.00 H new ATOM 0 HE21 GLN X 17 59.666 -0.902 5.434 1.00 0.00 H new ATOM 0 HE22 GLN X 17 59.505 0.209 6.799 1.00 0.00 H new ATOM 252 N LEU X 18 64.183 -1.386 3.849 1.00 0.00 N ATOM 253 CA LEU X 18 64.128 -0.628 2.620 1.00 0.00 C ATOM 254 C LEU X 18 64.704 -1.441 1.494 1.00 0.00 C ATOM 255 O LEU X 18 64.099 -1.585 0.462 1.00 0.00 O ATOM 256 CB LEU X 18 64.920 0.666 2.775 1.00 0.00 C ATOM 257 CG LEU X 18 65.128 1.479 1.489 1.00 0.00 C ATOM 258 CD1 LEU X 18 63.826 2.010 0.926 1.00 0.00 C ATOM 259 CD2 LEU X 18 66.129 2.587 1.690 1.00 0.00 C ATOM 0 H LEU X 18 64.731 -0.940 4.585 1.00 0.00 H new ATOM 0 HA LEU X 18 63.089 -0.388 2.395 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.410 1.297 3.503 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.898 0.424 3.192 1.00 0.00 H new ATOM 0 HG LEU X 18 65.537 0.791 0.749 1.00 0.00 H new ATOM 0 HD11 LEU X 18 64.027 2.578 0.017 1.00 0.00 H new ATOM 0 HD12 LEU X 18 63.163 1.176 0.694 1.00 0.00 H new ATOM 0 HD13 LEU X 18 63.349 2.659 1.661 1.00 0.00 H new ATOM 0 HD21 LEU X 18 66.251 3.141 0.759 1.00 0.00 H new ATOM 0 HD22 LEU X 18 65.774 3.261 2.470 1.00 0.00 H new ATOM 0 HD23 LEU X 18 67.088 2.162 1.987 1.00 0.00 H new ATOM 271 N LEU X 19 65.833 -2.025 1.765 1.00 0.00 N ATOM 272 CA LEU X 19 66.570 -2.854 0.832 1.00 0.00 C ATOM 273 C LEU X 19 65.744 -4.016 0.322 1.00 0.00 C ATOM 274 O LEU X 19 65.732 -4.296 -0.876 1.00 0.00 O ATOM 275 CB LEU X 19 67.764 -3.362 1.546 1.00 0.00 C ATOM 276 CG LEU X 19 68.781 -2.302 1.896 1.00 0.00 C ATOM 277 CD1 LEU X 19 70.003 -2.912 2.427 1.00 0.00 C ATOM 278 CD2 LEU X 19 69.095 -1.410 0.729 1.00 0.00 C ATOM 0 H LEU X 19 66.291 -1.940 2.673 1.00 0.00 H new ATOM 0 HA LEU X 19 66.844 -2.259 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.441 -3.855 2.463 1.00 0.00 H new ATOM 0 HB3 LEU X 19 68.246 -4.120 0.929 1.00 0.00 H new ATOM 0 HG LEU X 19 68.339 -1.674 2.670 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.722 -2.131 2.673 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.765 -3.481 3.325 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.432 -3.578 1.678 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.831 -0.664 1.029 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.498 -2.008 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU X 19 68.185 -0.910 0.398 1.00 0.00 H new ATOM 290 N LYS X 20 65.028 -4.654 1.226 1.00 0.00 N ATOM 291 CA LYS X 20 64.133 -5.743 0.888 1.00 0.00 C ATOM 292 C LYS X 20 63.058 -5.254 -0.043 1.00 0.00 C ATOM 293 O LYS X 20 62.755 -5.891 -1.071 1.00 0.00 O ATOM 294 CB LYS X 20 63.452 -6.290 2.133 1.00 0.00 C ATOM 295 CG LYS X 20 64.357 -6.990 3.104 1.00 0.00 C ATOM 296 CD LYS X 20 63.573 -7.522 4.273 1.00 0.00 C ATOM 297 CE LYS X 20 64.467 -8.219 5.267 1.00 0.00 C ATOM 298 NZ LYS X 20 63.687 -8.827 6.356 1.00 0.00 N ATOM 0 H LYS X 20 65.051 -4.431 2.221 1.00 0.00 H new ATOM 0 HA LYS X 20 64.728 -6.525 0.416 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.960 -5.466 2.650 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.671 -6.985 1.824 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.873 -7.809 2.603 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.123 -6.300 3.457 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.050 -6.702 4.765 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.813 -8.217 3.916 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.047 -8.989 4.759 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.179 -7.505 5.682 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 64.331 -9.299 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 63.152 -8.087 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 63.025 -9.526 5.961 1.00 0.00 H new ATOM 312 N GLU X 21 62.491 -4.120 0.317 1.00 0.00 N ATOM 313 CA GLU X 21 61.426 -3.528 -0.431 1.00 0.00 C ATOM 314 C GLU X 21 61.886 -3.074 -1.803 1.00 0.00 C ATOM 315 O GLU X 21 61.157 -3.252 -2.792 1.00 0.00 O ATOM 316 CB GLU X 21 60.748 -2.403 0.346 1.00 0.00 C ATOM 317 CG GLU X 21 60.071 -2.865 1.634 1.00 0.00 C ATOM 318 CD GLU X 21 59.251 -1.777 2.275 1.00 0.00 C ATOM 319 OE1 GLU X 21 58.328 -1.270 1.617 1.00 0.00 O ATOM 320 OE2 GLU X 21 59.472 -1.432 3.475 1.00 0.00 O ATOM 0 H GLU X 21 62.766 -3.589 1.143 1.00 0.00 H new ATOM 0 HA GLU X 21 60.675 -4.302 -0.590 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.491 -1.643 0.589 1.00 0.00 H new ATOM 0 HB3 GLU X 21 60.004 -1.929 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU X 21 59.430 -3.719 1.418 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.830 -3.206 2.338 1.00 0.00 H new ATOM 327 N ILE X 22 63.095 -2.519 -1.875 1.00 0.00 N ATOM 328 CA ILE X 22 63.655 -2.092 -3.139 1.00 0.00 C ATOM 329 C ILE X 22 63.794 -3.274 -4.090 1.00 0.00 C ATOM 330 O ILE X 22 63.391 -3.188 -5.229 1.00 0.00 O ATOM 331 CB ILE X 22 65.027 -1.401 -2.999 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.952 -0.229 -2.035 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.447 -0.893 -4.351 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.264 0.504 -1.845 1.00 0.00 C ATOM 0 H ILE X 22 63.699 -2.358 -1.069 1.00 0.00 H new ATOM 0 HA ILE X 22 62.956 -1.358 -3.540 1.00 0.00 H new ATOM 0 HB ILE X 22 65.747 -2.122 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.204 0.476 -2.396 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.608 -0.591 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.416 -0.401 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.521 -1.729 -5.047 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.708 -0.180 -4.718 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.123 1.326 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE X 22 67.012 -0.185 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.602 0.900 -2.803 1.00 0.00 H new ATOM 346 N GLU X 23 64.302 -4.410 -3.585 1.00 0.00 N ATOM 347 CA GLU X 23 64.472 -5.603 -4.429 1.00 0.00 C ATOM 348 C GLU X 23 63.149 -5.990 -5.034 1.00 0.00 C ATOM 349 O GLU X 23 63.034 -6.203 -6.237 1.00 0.00 O ATOM 350 CB GLU X 23 64.907 -6.808 -3.611 1.00 0.00 C ATOM 351 CG GLU X 23 66.277 -6.776 -3.008 1.00 0.00 C ATOM 352 CD GLU X 23 66.588 -8.134 -2.423 1.00 0.00 C ATOM 353 OE1 GLU X 23 66.125 -8.437 -1.302 1.00 0.00 O ATOM 354 OE2 GLU X 23 67.201 -8.950 -3.108 1.00 0.00 O ATOM 0 H GLU X 23 64.597 -4.527 -2.616 1.00 0.00 H new ATOM 0 HA GLU X 23 65.221 -5.350 -5.180 1.00 0.00 H new ATOM 0 HB2 GLU X 23 64.187 -6.944 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.841 -7.689 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU X 23 67.016 -6.514 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU X 23 66.330 -6.011 -2.233 1.00 0.00 H new ATOM 361 N LYS X 24 62.155 -5.993 -4.187 1.00 0.00 N ATOM 362 CA LYS X 24 60.832 -6.424 -4.514 1.00 0.00 C ATOM 363 C LYS X 24 60.209 -5.593 -5.645 1.00 0.00 C ATOM 364 O LYS X 24 59.663 -6.158 -6.606 1.00 0.00 O ATOM 365 CB LYS X 24 59.984 -6.365 -3.247 1.00 0.00 C ATOM 366 CG LYS X 24 58.530 -6.741 -3.425 1.00 0.00 C ATOM 367 CD LYS X 24 58.356 -8.186 -3.865 1.00 0.00 C ATOM 368 CE LYS X 24 56.887 -8.530 -4.034 1.00 0.00 C ATOM 369 NZ LYS X 24 56.125 -8.309 -2.797 1.00 0.00 N ATOM 0 H LYS X 24 62.252 -5.684 -3.220 1.00 0.00 H new ATOM 0 HA LYS X 24 60.874 -7.447 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS X 24 60.425 -7.028 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS X 24 60.034 -5.354 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.999 -6.583 -2.486 1.00 0.00 H new ATOM 0 HG3 LYS X 24 58.075 -6.081 -4.164 1.00 0.00 H new ATOM 0 HD2 LYS X 24 58.882 -8.349 -4.806 1.00 0.00 H new ATOM 0 HD3 LYS X 24 58.807 -8.851 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS X 24 56.462 -7.924 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS X 24 56.791 -9.572 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 55.203 -8.784 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 56.653 -8.697 -1.990 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 55.979 -7.289 -2.657 1.00 0.00 H new ATOM 383 N GLU X 25 60.308 -4.285 -5.566 1.00 0.00 N ATOM 384 CA GLU X 25 59.701 -3.461 -6.582 1.00 0.00 C ATOM 385 C GLU X 25 60.621 -3.258 -7.794 1.00 0.00 C ATOM 386 O GLU X 25 60.143 -3.152 -8.920 1.00 0.00 O ATOM 387 CB GLU X 25 59.090 -2.144 -5.996 1.00 0.00 C ATOM 388 CG GLU X 25 60.020 -1.258 -5.205 1.00 0.00 C ATOM 389 CD GLU X 25 60.944 -0.547 -6.113 1.00 0.00 C ATOM 390 OE1 GLU X 25 60.501 -0.269 -7.240 1.00 0.00 O ATOM 391 OE2 GLU X 25 62.096 -0.316 -5.756 1.00 0.00 O ATOM 0 H GLU X 25 60.793 -3.779 -4.825 1.00 0.00 H new ATOM 0 HA GLU X 25 58.844 -4.008 -6.975 1.00 0.00 H new ATOM 0 HB2 GLU X 25 58.685 -1.560 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU X 25 58.251 -2.414 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU X 25 59.442 -0.538 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU X 25 60.588 -1.858 -4.494 1.00 0.00 H new ATOM 398 N ASN X 26 61.932 -3.265 -7.566 1.00 0.00 N ATOM 399 CA ASN X 26 62.912 -3.078 -8.643 1.00 0.00 C ATOM 400 C ASN X 26 62.871 -4.234 -9.630 1.00 0.00 C ATOM 401 O ASN X 26 62.840 -4.015 -10.837 1.00 0.00 O ATOM 402 CB ASN X 26 64.347 -2.917 -8.098 1.00 0.00 C ATOM 403 CG ASN X 26 65.385 -2.566 -9.177 1.00 0.00 C ATOM 404 OD1 ASN X 26 66.534 -3.002 -9.113 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.012 -1.735 -10.131 1.00 0.00 N ATOM 0 H ASN X 26 62.345 -3.398 -6.643 1.00 0.00 H new ATOM 0 HA ASN X 26 62.636 -2.158 -9.157 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.351 -2.138 -7.336 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.646 -3.844 -7.608 1.00 0.00 H new ATOM 0 HD21 ASN X 26 65.683 -1.438 -10.840 1.00 0.00 H new ATOM 0 HD22 ASN X 26 64.053 -1.389 -10.160 1.00 0.00 H new ATOM 412 N VAL X 27 62.814 -5.467 -9.125 1.00 0.00 N ATOM 413 CA VAL X 27 62.801 -6.641 -10.008 1.00 0.00 C ATOM 414 C VAL X 27 61.476 -6.772 -10.755 1.00 0.00 C ATOM 415 O VAL X 27 61.403 -7.401 -11.805 1.00 0.00 O ATOM 416 CB VAL X 27 63.137 -7.975 -9.278 1.00 0.00 C ATOM 417 CG1 VAL X 27 64.515 -7.912 -8.644 1.00 0.00 C ATOM 418 CG2 VAL X 27 62.077 -8.337 -8.243 1.00 0.00 C ATOM 0 H VAL X 27 62.777 -5.680 -8.128 1.00 0.00 H new ATOM 0 HA VAL X 27 63.599 -6.463 -10.728 1.00 0.00 H new ATOM 0 HB VAL X 27 63.141 -8.765 -10.029 1.00 0.00 H new ATOM 0 HG11 VAL X 27 64.727 -8.855 -8.140 1.00 0.00 H new ATOM 0 HG12 VAL X 27 65.263 -7.737 -9.417 1.00 0.00 H new ATOM 0 HG13 VAL X 27 64.545 -7.099 -7.919 1.00 0.00 H new ATOM 0 HG21 VAL X 27 62.349 -9.274 -7.756 1.00 0.00 H new ATOM 0 HG22 VAL X 27 62.012 -7.546 -7.496 1.00 0.00 H new ATOM 0 HG23 VAL X 27 61.111 -8.451 -8.736 1.00 0.00 H new ATOM 428 N ALA X 28 60.436 -6.174 -10.212 1.00 0.00 N ATOM 429 CA ALA X 28 59.136 -6.191 -10.853 1.00 0.00 C ATOM 430 C ALA X 28 59.022 -5.012 -11.802 1.00 0.00 C ATOM 431 O ALA X 28 58.276 -5.057 -12.787 1.00 0.00 O ATOM 432 CB ALA X 28 58.040 -6.127 -9.814 1.00 0.00 C ATOM 0 H ALA X 28 60.465 -5.669 -9.326 1.00 0.00 H new ATOM 0 HA ALA X 28 59.028 -7.118 -11.416 1.00 0.00 H new ATOM 0 HB1 ALA X 28 57.069 -6.140 -10.308 1.00 0.00 H new ATOM 0 HB2 ALA X 28 58.120 -6.986 -9.148 1.00 0.00 H new ATOM 0 HB3 ALA X 28 58.140 -5.208 -9.236 1.00 0.00 H new ATOM 438 N ALA X 29 59.803 -3.985 -11.497 1.00 0.00 N ATOM 439 CA ALA X 29 59.851 -2.714 -12.198 1.00 0.00 C ATOM 440 C ALA X 29 58.571 -1.933 -11.987 1.00 0.00 C ATOM 441 O ALA X 29 57.586 -2.101 -12.717 1.00 0.00 O ATOM 442 CB ALA X 29 60.205 -2.852 -13.681 1.00 0.00 C ATOM 0 H ALA X 29 60.454 -4.020 -10.712 1.00 0.00 H new ATOM 0 HA ALA X 29 60.670 -2.145 -11.759 1.00 0.00 H new ATOM 0 HB1 ALA X 29 60.224 -1.865 -14.144 1.00 0.00 H new ATOM 0 HB2 ALA X 29 61.186 -3.317 -13.779 1.00 0.00 H new ATOM 0 HB3 ALA X 29 59.458 -3.472 -14.177 1.00 0.00 H new ATOM 448 N THR X 30 58.549 -1.147 -10.940 1.00 0.00 N ATOM 449 CA THR X 30 57.423 -0.306 -10.674 1.00 0.00 C ATOM 450 C THR X 30 57.748 1.082 -11.227 1.00 0.00 C ATOM 451 O THR X 30 58.515 1.190 -12.208 1.00 0.00 O ATOM 452 CB THR X 30 57.099 -0.259 -9.152 1.00 0.00 C ATOM 453 OG1 THR X 30 58.138 0.387 -8.415 1.00 0.00 O ATOM 454 CG2 THR X 30 56.902 -1.656 -8.621 1.00 0.00 C ATOM 0 H THR X 30 59.305 -1.076 -10.259 1.00 0.00 H new ATOM 0 HA THR X 30 56.530 -0.701 -11.159 1.00 0.00 H new ATOM 0 HB THR X 30 56.182 0.316 -9.027 1.00 0.00 H new ATOM 0 HG1 THR X 30 58.898 -0.224 -8.317 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.676 -1.612 -7.556 1.00 0.00 H new ATOM 0 HG22 THR X 30 56.075 -2.132 -9.148 1.00 0.00 H new ATOM 0 HG23 THR X 30 57.812 -2.235 -8.775 1.00 0.00 H new ATOM 462 N ASP X 31 57.197 2.123 -10.668 1.00 0.00 N ATOM 463 CA ASP X 31 57.488 3.445 -11.176 1.00 0.00 C ATOM 464 C ASP X 31 57.587 4.474 -10.090 1.00 0.00 C ATOM 465 O ASP X 31 58.668 4.990 -9.812 1.00 0.00 O ATOM 466 CB ASP X 31 56.468 3.869 -12.216 1.00 0.00 C ATOM 467 CG ASP X 31 56.691 5.274 -12.722 1.00 0.00 C ATOM 468 OD1 ASP X 31 57.767 5.556 -13.293 1.00 0.00 O ATOM 469 OD2 ASP X 31 55.797 6.118 -12.562 1.00 0.00 O ATOM 0 H ASP X 31 56.555 2.091 -9.876 1.00 0.00 H new ATOM 0 HA ASP X 31 58.468 3.383 -11.649 1.00 0.00 H new ATOM 0 HB2 ASP X 31 56.504 3.176 -13.056 1.00 0.00 H new ATOM 0 HB3 ASP X 31 55.469 3.797 -11.787 1.00 0.00 H new ATOM 474 N ASP X 32 56.478 4.738 -9.451 1.00 0.00 N ATOM 475 CA ASP X 32 56.399 5.793 -8.464 1.00 0.00 C ATOM 476 C ASP X 32 57.231 5.469 -7.252 1.00 0.00 C ATOM 477 O ASP X 32 58.023 6.279 -6.817 1.00 0.00 O ATOM 478 CB ASP X 32 54.954 6.061 -8.063 1.00 0.00 C ATOM 479 CG ASP X 32 54.822 7.273 -7.168 1.00 0.00 C ATOM 480 OD1 ASP X 32 55.148 8.390 -7.620 1.00 0.00 O ATOM 481 OD2 ASP X 32 54.386 7.144 -6.009 1.00 0.00 O ATOM 0 H ASP X 32 55.604 4.232 -9.596 1.00 0.00 H new ATOM 0 HA ASP X 32 56.801 6.698 -8.919 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.352 6.207 -8.960 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.554 5.187 -7.549 1.00 0.00 H new ATOM 486 N VAL X 33 57.109 4.249 -6.760 1.00 0.00 N ATOM 487 CA VAL X 33 57.842 3.866 -5.554 1.00 0.00 C ATOM 488 C VAL X 33 59.270 3.490 -5.910 1.00 0.00 C ATOM 489 O VAL X 33 60.185 3.702 -5.138 1.00 0.00 O ATOM 490 CB VAL X 33 57.138 2.737 -4.750 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.103 1.424 -5.491 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.733 2.570 -3.360 1.00 0.00 C ATOM 0 H VAL X 33 56.524 3.516 -7.162 1.00 0.00 H new ATOM 0 HA VAL X 33 57.859 4.733 -4.894 1.00 0.00 H new ATOM 0 HB VAL X 33 56.103 3.058 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.600 0.675 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.563 1.550 -6.429 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.122 1.097 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.211 1.771 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.790 2.318 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.625 3.501 -2.804 1.00 0.00 H new ATOM 502 N LEU X 34 59.432 3.019 -7.120 1.00 0.00 N ATOM 503 CA LEU X 34 60.723 2.644 -7.692 1.00 0.00 C ATOM 504 C LEU X 34 61.627 3.842 -7.674 1.00 0.00 C ATOM 505 O LEU X 34 62.710 3.808 -7.098 1.00 0.00 O ATOM 506 CB LEU X 34 60.434 2.107 -9.123 1.00 0.00 C ATOM 507 CG LEU X 34 61.559 1.668 -10.086 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.311 2.836 -10.661 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.496 0.669 -9.436 1.00 0.00 C ATOM 0 H LEU X 34 58.653 2.877 -7.763 1.00 0.00 H new ATOM 0 HA LEU X 34 61.235 1.866 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.771 1.250 -9.007 1.00 0.00 H new ATOM 0 HB3 LEU X 34 59.867 2.882 -9.638 1.00 0.00 H new ATOM 0 HG LEU X 34 61.072 1.166 -10.922 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.090 2.473 -11.331 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.623 3.474 -11.216 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.765 3.410 -9.853 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.273 0.385 -10.145 1.00 0.00 H new ATOM 0 HD22 LEU X 34 62.955 1.120 -8.556 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.934 -0.217 -9.139 1.00 0.00 H new ATOM 521 N ASP X 35 61.153 4.933 -8.214 1.00 0.00 N ATOM 522 CA ASP X 35 61.930 6.128 -8.226 1.00 0.00 C ATOM 523 C ASP X 35 62.078 6.742 -6.872 1.00 0.00 C ATOM 524 O ASP X 35 62.991 7.545 -6.656 1.00 0.00 O ATOM 525 CB ASP X 35 61.456 7.121 -9.260 1.00 0.00 C ATOM 526 CG ASP X 35 62.043 6.869 -10.621 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.277 7.001 -10.775 1.00 0.00 O ATOM 528 OD2 ASP X 35 61.290 6.576 -11.578 1.00 0.00 O ATOM 0 H ASP X 35 60.234 5.012 -8.649 1.00 0.00 H new ATOM 0 HA ASP X 35 62.932 5.824 -8.529 1.00 0.00 H new ATOM 0 HB2 ASP X 35 60.369 7.080 -9.325 1.00 0.00 H new ATOM 0 HB3 ASP X 35 61.718 8.128 -8.937 1.00 0.00 H new ATOM 533 N VAL X 36 61.208 6.397 -5.943 1.00 0.00 N ATOM 534 CA VAL X 36 61.422 6.866 -4.601 1.00 0.00 C ATOM 535 C VAL X 36 62.563 6.140 -4.019 1.00 0.00 C ATOM 536 O VAL X 36 63.524 6.732 -3.621 1.00 0.00 O ATOM 537 CB VAL X 36 60.264 6.526 -3.643 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.576 6.964 -2.250 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.002 7.103 -4.052 1.00 0.00 C ATOM 0 H VAL X 36 60.381 5.818 -6.088 1.00 0.00 H new ATOM 0 HA VAL X 36 61.552 7.945 -4.688 1.00 0.00 H new ATOM 0 HB VAL X 36 60.159 5.442 -3.677 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.743 6.712 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.477 6.458 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.737 8.042 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.227 6.827 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.093 8.189 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL X 36 58.734 6.729 -5.040 1.00 0.00 H new ATOM 549 N LEU X 37 62.482 4.854 -4.100 1.00 0.00 N ATOM 550 CA LEU X 37 63.371 4.014 -3.386 1.00 0.00 C ATOM 551 C LEU X 37 64.737 4.075 -3.903 1.00 0.00 C ATOM 552 O LEU X 37 65.688 4.171 -3.136 1.00 0.00 O ATOM 553 CB LEU X 37 62.897 2.612 -3.352 1.00 0.00 C ATOM 554 CG LEU X 37 61.482 2.370 -2.803 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.203 0.890 -2.675 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.276 3.066 -1.462 1.00 0.00 C ATOM 0 H LEU X 37 61.793 4.359 -4.666 1.00 0.00 H new ATOM 0 HA LEU X 37 63.387 4.396 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.940 2.215 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.598 2.031 -2.752 1.00 0.00 H new ATOM 0 HG LEU X 37 60.777 2.799 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.196 0.742 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.286 0.418 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.926 0.441 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.265 2.873 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.996 2.683 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.419 4.140 -1.583 1.00 0.00 H new ATOM 568 N LEU X 38 64.834 4.049 -5.193 1.00 0.00 N ATOM 569 CA LEU X 38 66.085 4.106 -5.850 1.00 0.00 C ATOM 570 C LEU X 38 66.812 5.384 -5.493 1.00 0.00 C ATOM 571 O LEU X 38 67.983 5.348 -5.097 1.00 0.00 O ATOM 572 CB LEU X 38 65.897 3.936 -7.352 1.00 0.00 C ATOM 573 CG LEU X 38 65.340 2.594 -7.841 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.567 2.459 -9.309 1.00 0.00 C ATOM 575 CD2 LEU X 38 65.936 1.412 -7.109 1.00 0.00 C ATOM 0 H LEU X 38 64.033 3.987 -5.821 1.00 0.00 H new ATOM 0 HA LEU X 38 66.712 3.282 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.231 4.725 -7.701 1.00 0.00 H new ATOM 0 HB3 LEU X 38 66.862 4.097 -7.834 1.00 0.00 H new ATOM 0 HG LEU X 38 64.271 2.590 -7.628 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.170 1.504 -9.652 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.062 3.271 -9.832 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.636 2.503 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.505 0.489 -7.497 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.016 1.399 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.717 1.495 -6.044 1.00 0.00 H new ATOM 587 N GLU X 39 66.104 6.499 -5.551 1.00 0.00 N ATOM 588 CA GLU X 39 66.692 7.762 -5.196 1.00 0.00 C ATOM 589 C GLU X 39 66.930 7.882 -3.712 1.00 0.00 C ATOM 590 O GLU X 39 67.943 8.411 -3.284 1.00 0.00 O ATOM 591 CB GLU X 39 65.843 8.897 -5.635 1.00 0.00 C ATOM 592 CG GLU X 39 65.867 9.178 -7.109 1.00 0.00 C ATOM 593 CD GLU X 39 67.259 9.467 -7.608 1.00 0.00 C ATOM 594 OE1 GLU X 39 67.800 10.563 -7.326 1.00 0.00 O ATOM 595 OE2 GLU X 39 67.854 8.603 -8.264 1.00 0.00 O ATOM 0 H GLU X 39 65.127 6.547 -5.840 1.00 0.00 H new ATOM 0 HA GLU X 39 67.652 7.802 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU X 39 64.814 8.698 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.161 9.795 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.460 8.322 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.221 10.028 -7.326 1.00 0.00 H new ATOM 602 N HIS X 40 65.983 7.408 -2.943 1.00 0.00 N ATOM 603 CA HIS X 40 66.013 7.498 -1.502 1.00 0.00 C ATOM 604 C HIS X 40 67.235 6.793 -0.980 1.00 0.00 C ATOM 605 O HIS X 40 67.969 7.321 -0.163 1.00 0.00 O ATOM 606 CB HIS X 40 64.741 6.859 -0.921 1.00 0.00 C ATOM 607 CG HIS X 40 64.563 6.985 0.558 1.00 0.00 C ATOM 608 ND1 HIS X 40 63.573 7.724 1.144 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.248 6.415 1.569 1.00 0.00 C ATOM 610 CE1 HIS X 40 63.682 7.591 2.453 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.690 6.802 2.765 1.00 0.00 N ATOM 0 H HIS X 40 65.153 6.939 -3.306 1.00 0.00 H new ATOM 0 HA HIS X 40 66.053 8.545 -1.200 1.00 0.00 H new ATOM 0 HB2 HIS X 40 63.877 7.307 -1.411 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.740 5.800 -1.179 1.00 0.00 H new ATOM 0 HD1 HIS X 40 62.872 8.281 0.655 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.099 5.759 1.458 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.031 8.066 3.172 1.00 0.00 H new ATOM 619 N PHE X 41 67.456 5.636 -1.504 1.00 0.00 N ATOM 620 CA PHE X 41 68.574 4.829 -1.164 1.00 0.00 C ATOM 621 C PHE X 41 69.878 5.560 -1.484 1.00 0.00 C ATOM 622 O PHE X 41 70.744 5.710 -0.628 1.00 0.00 O ATOM 623 CB PHE X 41 68.438 3.513 -1.921 1.00 0.00 C ATOM 624 CG PHE X 41 69.642 2.649 -1.943 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.003 1.910 -0.842 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.420 2.584 -3.070 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.127 1.110 -0.870 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.534 1.793 -3.094 1.00 0.00 C ATOM 629 CZ PHE X 41 71.891 1.055 -2.000 1.00 0.00 C ATOM 0 H PHE X 41 66.844 5.214 -2.202 1.00 0.00 H new ATOM 0 HA PHE X 41 68.601 4.622 -0.094 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.617 2.947 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.156 3.736 -2.950 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.401 1.956 0.054 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.151 3.161 -3.943 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.401 0.530 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.139 1.750 -3.987 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.773 0.432 -2.030 1.00 0.00 H new ATOM 639 N VAL X 42 70.005 6.024 -2.684 1.00 0.00 N ATOM 640 CA VAL X 42 71.200 6.719 -3.097 1.00 0.00 C ATOM 641 C VAL X 42 71.417 8.075 -2.422 1.00 0.00 C ATOM 642 O VAL X 42 72.522 8.465 -2.200 1.00 0.00 O ATOM 643 CB VAL X 42 71.380 6.741 -4.621 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.295 7.443 -5.342 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.734 7.211 -5.043 1.00 0.00 C ATOM 0 H VAL X 42 69.293 5.938 -3.409 1.00 0.00 H new ATOM 0 HA VAL X 42 72.022 6.114 -2.713 1.00 0.00 H new ATOM 0 HB VAL X 42 71.305 5.696 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.493 7.416 -6.413 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.344 6.951 -5.137 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.247 8.479 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL X 42 72.799 7.204 -6.131 1.00 0.00 H new ATOM 0 HG22 VAL X 42 72.898 8.224 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.494 6.548 -4.630 1.00 0.00 H new ATOM 655 N LYS X 43 70.376 8.764 -2.095 1.00 0.00 N ATOM 656 CA LYS X 43 70.520 10.085 -1.436 1.00 0.00 C ATOM 657 C LYS X 43 71.031 9.959 0.014 1.00 0.00 C ATOM 658 O LYS X 43 71.739 10.834 0.506 1.00 0.00 O ATOM 659 CB LYS X 43 69.195 10.881 -1.459 1.00 0.00 C ATOM 660 CG LYS X 43 68.119 10.327 -0.506 1.00 0.00 C ATOM 661 CD LYS X 43 66.771 11.020 -0.651 1.00 0.00 C ATOM 662 CE LYS X 43 66.790 12.448 -0.133 1.00 0.00 C ATOM 663 NZ LYS X 43 67.136 12.524 1.312 1.00 0.00 N ATOM 0 H LYS X 43 69.413 8.468 -2.257 1.00 0.00 H new ATOM 0 HA LYS X 43 71.266 10.633 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.401 11.918 -1.195 1.00 0.00 H new ATOM 0 HB3 LYS X 43 68.801 10.883 -2.475 1.00 0.00 H new ATOM 0 HG2 LYS X 43 67.993 9.260 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.465 10.433 0.522 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.479 11.022 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.014 10.451 -0.111 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.511 13.030 -0.707 1.00 0.00 H new ATOM 0 HE3 LYS X 43 65.813 12.903 -0.294 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 66.893 13.466 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 66.602 11.801 1.835 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 68.155 12.358 1.434 1.00 0.00 H new ATOM 677 N ILE X 44 70.655 8.897 0.693 1.00 0.00 N ATOM 678 CA ILE X 44 71.077 8.711 2.068 1.00 0.00 C ATOM 679 C ILE X 44 72.453 8.058 2.122 1.00 0.00 C ATOM 680 O ILE X 44 73.260 8.363 2.995 1.00 0.00 O ATOM 681 CB ILE X 44 70.021 7.903 2.881 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.723 6.559 2.213 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.739 8.720 3.013 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.629 5.765 2.872 1.00 0.00 C ATOM 0 H ILE X 44 70.063 8.154 0.321 1.00 0.00 H new ATOM 0 HA ILE X 44 71.156 9.692 2.537 1.00 0.00 H new ATOM 0 HB ILE X 44 70.427 7.703 3.872 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.450 6.737 1.173 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.634 5.961 2.205 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.003 8.152 3.582 1.00 0.00 H new ATOM 0 HG22 ILE X 44 68.955 9.655 3.530 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.342 8.937 2.021 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.485 4.828 2.334 1.00 0.00 H new ATOM 0 HD12 ILE X 44 68.906 5.551 3.904 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.703 6.339 2.856 1.00 0.00 H new ATOM 696 N THR X 45 72.734 7.200 1.159 1.00 0.00 N ATOM 697 CA THR X 45 74.008 6.517 1.103 1.00 0.00 C ATOM 698 C THR X 45 75.050 7.382 0.414 1.00 0.00 C ATOM 699 O THR X 45 76.242 7.371 0.786 1.00 0.00 O ATOM 700 CB THR X 45 73.882 5.187 0.342 1.00 0.00 C ATOM 701 OG1 THR X 45 73.396 5.432 -0.992 1.00 0.00 O ATOM 702 CG2 THR X 45 72.918 4.265 1.049 1.00 0.00 C ATOM 0 H THR X 45 72.092 6.960 0.403 1.00 0.00 H new ATOM 0 HA THR X 45 74.320 6.318 2.128 1.00 0.00 H new ATOM 0 HB THR X 45 74.866 4.720 0.301 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.419 5.358 -1.003 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.840 3.328 0.498 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.280 4.064 2.057 1.00 0.00 H new ATOM 0 HG23 THR X 45 71.937 4.737 1.103 1.00 0.00 H new ATOM 710 N GLU X 46 74.575 8.125 -0.594 1.00 0.00 N ATOM 711 CA GLU X 46 75.362 8.991 -1.464 1.00 0.00 C ATOM 712 C GLU X 46 76.358 8.172 -2.251 1.00 0.00 C ATOM 713 O GLU X 46 77.383 8.676 -2.720 1.00 0.00 O ATOM 714 CB GLU X 46 76.024 10.077 -0.672 1.00 0.00 C ATOM 715 CG GLU X 46 75.063 10.991 0.021 1.00 0.00 C ATOM 716 CD GLU X 46 75.793 12.007 0.835 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.413 11.620 1.854 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.800 13.190 0.481 1.00 0.00 O ATOM 0 H GLU X 46 73.583 8.135 -0.832 1.00 0.00 H new ATOM 0 HA GLU X 46 74.698 9.477 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.680 9.624 0.071 1.00 0.00 H new ATOM 0 HB3 GLU X 46 76.655 10.666 -1.337 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.434 11.492 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.401 10.411 0.664 1.00 0.00 H new ATOM 725 N HIS X 47 76.012 6.910 -2.439 1.00 0.00 N ATOM 726 CA HIS X 47 76.843 5.989 -3.148 1.00 0.00 C ATOM 727 C HIS X 47 76.747 6.337 -4.635 1.00 0.00 C ATOM 728 O HIS X 47 75.661 6.543 -5.138 1.00 0.00 O ATOM 729 CB HIS X 47 76.358 4.542 -2.902 1.00 0.00 C ATOM 730 CG HIS X 47 77.398 3.499 -3.193 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.554 2.850 -4.395 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.377 3.036 -2.399 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.620 2.043 -4.290 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.149 2.118 -3.097 1.00 0.00 N ATOM 0 H HIS X 47 75.140 6.506 -2.097 1.00 0.00 H new ATOM 0 HA HIS X 47 77.876 6.058 -2.807 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.041 4.446 -1.864 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.482 4.352 -3.522 1.00 0.00 H new ATOM 0 HD2 HIS X 47 78.539 3.333 -1.373 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.992 1.415 -5.086 1.00 0.00 H new ATOM 0 HE2 HIS X 47 79.961 1.607 -2.751 1.00 0.00 H new ATOM 742 N PRO X 48 77.862 6.404 -5.365 1.00 0.00 N ATOM 743 CA PRO X 48 77.868 6.793 -6.798 1.00 0.00 C ATOM 744 C PRO X 48 77.281 5.730 -7.671 1.00 0.00 C ATOM 745 O PRO X 48 77.012 5.942 -8.850 1.00 0.00 O ATOM 746 CB PRO X 48 79.342 6.852 -7.130 1.00 0.00 C ATOM 747 CG PRO X 48 80.052 6.904 -5.850 1.00 0.00 C ATOM 748 CD PRO X 48 79.219 6.121 -4.899 1.00 0.00 C ATOM 0 HA PRO X 48 77.300 7.710 -6.957 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.645 5.979 -7.707 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.569 7.729 -7.736 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.051 6.478 -5.938 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.173 7.933 -5.510 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.449 5.056 -4.939 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.370 6.441 -3.868 1.00 0.00 H new ATOM 756 N ASP X 49 77.062 4.614 -7.078 1.00 0.00 N ATOM 757 CA ASP X 49 76.693 3.456 -7.765 1.00 0.00 C ATOM 758 C ASP X 49 75.496 2.924 -7.041 1.00 0.00 C ATOM 759 O ASP X 49 75.280 1.724 -6.986 1.00 0.00 O ATOM 760 CB ASP X 49 77.819 2.400 -7.699 1.00 0.00 C ATOM 761 CG ASP X 49 79.174 2.890 -8.163 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.944 3.429 -7.336 1.00 0.00 O ATOM 763 OD2 ASP X 49 79.499 2.734 -9.359 1.00 0.00 O ATOM 0 H ASP X 49 77.140 4.489 -6.069 1.00 0.00 H new ATOM 0 HA ASP X 49 76.494 3.672 -8.815 1.00 0.00 H new ATOM 0 HB2 ASP X 49 77.908 2.047 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.530 1.542 -8.307 1.00 0.00 H new ATOM 768 N GLY X 50 74.745 3.857 -6.445 1.00 0.00 N ATOM 769 CA GLY X 50 73.588 3.556 -5.618 1.00 0.00 C ATOM 770 C GLY X 50 72.688 2.576 -6.222 1.00 0.00 C ATOM 771 O GLY X 50 72.529 1.470 -5.723 1.00 0.00 O ATOM 0 H GLY X 50 74.933 4.856 -6.530 1.00 0.00 H new ATOM 0 HA2 GLY X 50 73.927 3.181 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.037 4.477 -5.427 1.00 0.00 H new ATOM 775 N THR X 51 72.216 2.894 -7.331 1.00 0.00 N ATOM 776 CA THR X 51 71.209 2.092 -7.912 1.00 0.00 C ATOM 777 C THR X 51 71.809 0.790 -8.466 1.00 0.00 C ATOM 778 O THR X 51 71.172 -0.263 -8.433 1.00 0.00 O ATOM 779 CB THR X 51 70.437 2.868 -8.962 1.00 0.00 C ATOM 780 OG1 THR X 51 70.573 4.284 -8.670 1.00 0.00 O ATOM 781 CG2 THR X 51 68.971 2.505 -8.841 1.00 0.00 C ATOM 0 H THR X 51 72.499 3.708 -7.877 1.00 0.00 H new ATOM 0 HA THR X 51 70.493 1.812 -7.139 1.00 0.00 H new ATOM 0 HB THR X 51 70.811 2.638 -9.960 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.082 4.805 -9.339 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.398 3.053 -9.588 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.847 1.434 -9.002 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.612 2.766 -7.845 1.00 0.00 H new ATOM 789 N ALA X 52 73.078 0.859 -8.867 1.00 0.00 N ATOM 790 CA ALA X 52 73.807 -0.292 -9.364 1.00 0.00 C ATOM 791 C ALA X 52 73.956 -1.321 -8.278 1.00 0.00 C ATOM 792 O ALA X 52 73.877 -2.508 -8.557 1.00 0.00 O ATOM 793 CB ALA X 52 75.161 0.108 -9.921 1.00 0.00 C ATOM 0 H ALA X 52 73.625 1.720 -8.854 1.00 0.00 H new ATOM 0 HA ALA X 52 73.234 -0.729 -10.182 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.681 -0.778 -10.285 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.023 0.811 -10.743 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.753 0.579 -9.136 1.00 0.00 H new ATOM 799 N LEU X 53 74.132 -0.864 -7.036 1.00 0.00 N ATOM 800 CA LEU X 53 74.205 -1.771 -5.893 1.00 0.00 C ATOM 801 C LEU X 53 72.931 -2.548 -5.724 1.00 0.00 C ATOM 802 O LEU X 53 72.970 -3.719 -5.411 1.00 0.00 O ATOM 803 CB LEU X 53 74.542 -1.075 -4.588 1.00 0.00 C ATOM 804 CG LEU X 53 75.923 -0.449 -4.479 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.179 -0.063 -3.056 1.00 0.00 C ATOM 806 CD2 LEU X 53 77.011 -1.381 -4.990 1.00 0.00 C ATOM 0 H LEU X 53 74.226 0.124 -6.799 1.00 0.00 H new ATOM 0 HA LEU X 53 75.024 -2.452 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.801 -0.294 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.433 -1.798 -3.780 1.00 0.00 H new ATOM 0 HG LEU X 53 75.949 0.440 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.169 0.386 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.426 0.656 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU X 53 76.129 -0.950 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.982 -0.894 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU X 53 77.007 -2.301 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.826 -1.617 -6.038 1.00 0.00 H new ATOM 818 N ILE X 54 71.807 -1.900 -5.944 1.00 0.00 N ATOM 819 CA ILE X 54 70.515 -2.590 -5.831 1.00 0.00 C ATOM 820 C ILE X 54 70.410 -3.613 -6.934 1.00 0.00 C ATOM 821 O ILE X 54 70.084 -4.774 -6.699 1.00 0.00 O ATOM 822 CB ILE X 54 69.332 -1.609 -5.933 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.273 -0.700 -4.710 1.00 0.00 C ATOM 824 CG2 ILE X 54 68.015 -2.369 -6.095 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.590 0.609 -4.985 1.00 0.00 C ATOM 0 H ILE X 54 71.748 -0.914 -6.198 1.00 0.00 H new ATOM 0 HA ILE X 54 70.468 -3.069 -4.853 1.00 0.00 H new ATOM 0 HB ILE X 54 69.485 -0.987 -6.815 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.748 -1.216 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE X 54 70.286 -0.508 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.191 -1.659 -6.165 1.00 0.00 H new ATOM 0 HG22 ILE X 54 68.052 -2.972 -7.002 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.861 -3.019 -5.233 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.579 1.212 -4.077 1.00 0.00 H new ATOM 0 HD12 ILE X 54 69.128 1.143 -5.768 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.566 0.424 -5.310 1.00 0.00 H new ATOM 837 N TYR X 55 70.742 -3.174 -8.124 1.00 0.00 N ATOM 838 CA TYR X 55 70.709 -4.003 -9.292 1.00 0.00 C ATOM 839 C TYR X 55 71.590 -5.236 -9.154 1.00 0.00 C ATOM 840 O TYR X 55 71.150 -6.355 -9.461 1.00 0.00 O ATOM 841 CB TYR X 55 71.047 -3.196 -10.535 1.00 0.00 C ATOM 842 CG TYR X 55 69.872 -2.425 -11.096 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.908 -3.062 -11.865 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.717 -1.073 -10.852 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.826 -2.368 -12.365 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.643 -0.373 -11.350 1.00 0.00 C ATOM 847 CZ TYR X 55 67.702 -1.023 -12.103 1.00 0.00 C ATOM 848 OH TYR X 55 66.618 -0.328 -12.582 1.00 0.00 O ATOM 0 H TYR X 55 71.046 -2.217 -8.305 1.00 0.00 H new ATOM 0 HA TYR X 55 69.690 -4.373 -9.401 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.849 -2.497 -10.297 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.428 -3.870 -11.302 1.00 0.00 H new ATOM 0 HD1 TYR X 55 69.007 -4.117 -12.075 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.455 -0.555 -10.257 1.00 0.00 H new ATOM 0 HE1 TYR X 55 67.081 -2.877 -12.958 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.542 0.683 -11.148 1.00 0.00 H new ATOM 0 HH TYR X 55 66.683 0.610 -12.306 1.00 0.00 H new ATOM 858 N GLU X 56 72.807 -5.060 -8.666 1.00 0.00 N ATOM 859 CA GLU X 56 73.668 -6.196 -8.455 1.00 0.00 C ATOM 860 C GLU X 56 73.178 -7.038 -7.308 1.00 0.00 C ATOM 861 O GLU X 56 73.198 -8.235 -7.407 1.00 0.00 O ATOM 862 CB GLU X 56 75.138 -5.835 -8.250 1.00 0.00 C ATOM 863 CG GLU X 56 75.380 -4.770 -7.219 1.00 0.00 C ATOM 864 CD GLU X 56 76.800 -4.692 -6.786 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.195 -5.426 -5.845 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.565 -3.925 -7.378 1.00 0.00 O ATOM 0 H GLU X 56 73.209 -4.157 -8.415 1.00 0.00 H new ATOM 0 HA GLU X 56 73.620 -6.770 -9.380 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.683 -6.734 -7.960 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.554 -5.503 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU X 56 75.076 -3.805 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.751 -4.964 -6.350 1.00 0.00 H new ATOM 873 N ALA X 57 72.705 -6.407 -6.233 1.00 0.00 N ATOM 874 CA ALA X 57 72.205 -7.131 -5.069 1.00 0.00 C ATOM 875 C ALA X 57 71.051 -8.022 -5.446 1.00 0.00 C ATOM 876 O ALA X 57 70.967 -9.143 -4.985 1.00 0.00 O ATOM 877 CB ALA X 57 71.801 -6.191 -3.967 1.00 0.00 C ATOM 0 H ALA X 57 72.659 -5.392 -6.146 1.00 0.00 H new ATOM 0 HA ALA X 57 73.019 -7.754 -4.698 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.434 -6.765 -3.116 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.663 -5.598 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA X 57 71.013 -5.528 -4.325 1.00 0.00 H new ATOM 883 N ALA X 58 70.190 -7.524 -6.318 1.00 0.00 N ATOM 884 CA ALA X 58 69.080 -8.295 -6.834 1.00 0.00 C ATOM 885 C ALA X 58 69.593 -9.562 -7.523 1.00 0.00 C ATOM 886 O ALA X 58 69.053 -10.637 -7.329 1.00 0.00 O ATOM 887 CB ALA X 58 68.251 -7.458 -7.797 1.00 0.00 C ATOM 0 H ALA X 58 70.244 -6.574 -6.686 1.00 0.00 H new ATOM 0 HA ALA X 58 68.441 -8.588 -6.001 1.00 0.00 H new ATOM 0 HB1 ALA X 58 67.421 -8.054 -8.175 1.00 0.00 H new ATOM 0 HB2 ALA X 58 67.862 -6.583 -7.276 1.00 0.00 H new ATOM 0 HB3 ALA X 58 68.876 -7.136 -8.630 1.00 0.00 H new ATOM 893 N ALA X 59 70.665 -9.427 -8.290 1.00 0.00 N ATOM 894 CA ALA X 59 71.277 -10.563 -8.972 1.00 0.00 C ATOM 895 C ALA X 59 72.005 -11.457 -7.963 1.00 0.00 C ATOM 896 O ALA X 59 71.890 -12.682 -7.998 1.00 0.00 O ATOM 897 CB ALA X 59 72.239 -10.076 -10.044 1.00 0.00 C ATOM 0 H ALA X 59 71.133 -8.536 -8.458 1.00 0.00 H new ATOM 0 HA ALA X 59 70.493 -11.149 -9.451 1.00 0.00 H new ATOM 0 HB1 ALA X 59 72.689 -10.933 -10.545 1.00 0.00 H new ATOM 0 HB2 ALA X 59 71.697 -9.473 -10.772 1.00 0.00 H new ATOM 0 HB3 ALA X 59 73.022 -9.473 -9.584 1.00 0.00 H new ATOM 903 N ARG X 60 72.707 -10.821 -7.042 1.00 0.00 N ATOM 904 CA ARG X 60 73.464 -11.491 -5.994 1.00 0.00 C ATOM 905 C ARG X 60 72.537 -12.322 -5.110 1.00 0.00 C ATOM 906 O ARG X 60 72.886 -13.411 -4.700 1.00 0.00 O ATOM 907 CB ARG X 60 74.266 -10.459 -5.162 1.00 0.00 C ATOM 908 CG ARG X 60 75.375 -9.755 -5.939 1.00 0.00 C ATOM 909 CD ARG X 60 75.991 -8.574 -5.170 1.00 0.00 C ATOM 910 NE ARG X 60 76.700 -8.972 -3.943 1.00 0.00 N ATOM 911 CZ ARG X 60 77.501 -8.159 -3.213 1.00 0.00 C ATOM 912 NH1 ARG X 60 77.734 -6.889 -3.601 1.00 0.00 N ATOM 913 NH2 ARG X 60 78.088 -8.631 -2.117 1.00 0.00 N ATOM 0 H ARG X 60 72.769 -9.804 -6.999 1.00 0.00 H new ATOM 0 HA ARG X 60 74.177 -12.172 -6.458 1.00 0.00 H new ATOM 0 HB2 ARG X 60 73.577 -9.709 -4.773 1.00 0.00 H new ATOM 0 HB3 ARG X 60 74.705 -10.965 -4.302 1.00 0.00 H new ATOM 0 HG2 ARG X 60 76.158 -10.475 -6.176 1.00 0.00 H new ATOM 0 HG3 ARG X 60 74.975 -9.395 -6.887 1.00 0.00 H new ATOM 0 HD2 ARG X 60 76.685 -8.048 -5.825 1.00 0.00 H new ATOM 0 HD3 ARG X 60 75.201 -7.869 -4.910 1.00 0.00 H new ATOM 0 HE ARG X 60 76.579 -9.931 -3.618 1.00 0.00 H new ATOM 0 HH11 ARG X 60 77.305 -6.529 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG X 60 78.339 -6.288 -3.042 1.00 0.00 H new ATOM 0 HH21 ARG X 60 77.934 -9.598 -1.832 1.00 0.00 H new ATOM 0 HH22 ARG X 60 78.693 -8.026 -1.561 1.00 0.00 H new ATOM 927 N ALA X 61 71.351 -11.812 -4.851 1.00 0.00 N ATOM 928 CA ALA X 61 70.346 -12.532 -4.083 1.00 0.00 C ATOM 929 C ALA X 61 69.638 -13.563 -4.944 1.00 0.00 C ATOM 930 O ALA X 61 69.196 -14.599 -4.448 1.00 0.00 O ATOM 931 CB ALA X 61 69.341 -11.567 -3.487 1.00 0.00 C ATOM 0 H ALA X 61 71.053 -10.888 -5.165 1.00 0.00 H new ATOM 0 HA ALA X 61 70.853 -13.055 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA X 61 68.597 -12.123 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA X 61 69.855 -10.867 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA X 61 68.847 -11.016 -4.287 1.00 0.00 H new ATOM 937 N ALA X 62 69.535 -13.276 -6.226 1.00 0.00 N ATOM 938 CA ALA X 62 68.897 -14.172 -7.169 1.00 0.00 C ATOM 939 C ALA X 62 69.705 -15.455 -7.322 1.00 0.00 C ATOM 940 O ALA X 62 69.141 -16.556 -7.330 1.00 0.00 O ATOM 941 CB ALA X 62 68.693 -13.487 -8.511 1.00 0.00 C ATOM 0 H ALA X 62 69.891 -12.416 -6.643 1.00 0.00 H new ATOM 0 HA ALA X 62 67.915 -14.439 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA X 62 68.213 -14.179 -9.203 1.00 0.00 H new ATOM 0 HB2 ALA X 62 68.061 -12.609 -8.379 1.00 0.00 H new ATOM 0 HB3 ALA X 62 69.659 -13.182 -8.914 1.00 0.00 H new ATOM 947 N ALA X 63 71.014 -15.312 -7.443 1.00 0.00 N ATOM 948 CA ALA X 63 71.904 -16.460 -7.510 1.00 0.00 C ATOM 949 C ALA X 63 72.136 -17.002 -6.119 1.00 0.00 C ATOM 950 O ALA X 63 72.061 -18.205 -5.892 1.00 0.00 O ATOM 951 CB ALA X 63 73.231 -16.082 -8.148 1.00 0.00 C ATOM 0 H ALA X 63 71.486 -14.409 -7.497 1.00 0.00 H new ATOM 0 HA ALA X 63 71.436 -17.227 -8.127 1.00 0.00 H new ATOM 0 HB1 ALA X 63 73.879 -16.958 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA X 63 73.057 -15.715 -9.159 1.00 0.00 H new ATOM 0 HB3 ALA X 63 73.710 -15.302 -7.556 1.00 0.00 H new ATOM 957 N ASN X 64 72.379 -16.083 -5.197 1.00 0.00 N ATOM 958 CA ASN X 64 72.650 -16.364 -3.787 1.00 0.00 C ATOM 959 C ASN X 64 73.937 -17.162 -3.599 1.00 0.00 C ATOM 960 O ASN X 64 73.945 -18.386 -3.690 1.00 0.00 O ATOM 961 CB ASN X 64 71.460 -17.047 -3.071 1.00 0.00 C ATOM 962 CG ASN X 64 71.735 -17.355 -1.594 1.00 0.00 C ATOM 963 OD1 ASN X 64 72.278 -18.411 -1.249 1.00 0.00 O ATOM 964 ND2 ASN X 64 71.345 -16.459 -0.716 1.00 0.00 N ATOM 0 H ASN X 64 72.394 -15.086 -5.412 1.00 0.00 H new ATOM 0 HA ASN X 64 72.789 -15.393 -3.312 1.00 0.00 H new ATOM 0 HB2 ASN X 64 70.584 -16.403 -3.143 1.00 0.00 H new ATOM 0 HB3 ASN X 64 71.217 -17.975 -3.589 1.00 0.00 H new ATOM 0 HD21 ASN X 64 71.487 -16.625 0.280 1.00 0.00 H new ATOM 0 HD22 ASN X 64 70.900 -15.597 -1.030 1.00 0.00 H new ATOM 971 N PRO X 65 75.072 -16.479 -3.397 1.00 0.00 N ATOM 972 CA PRO X 65 76.327 -17.154 -3.090 1.00 0.00 C ATOM 973 C PRO X 65 76.354 -17.582 -1.616 1.00 0.00 C ATOM 974 O PRO X 65 77.190 -18.388 -1.193 1.00 0.00 O ATOM 975 CB PRO X 65 77.388 -16.081 -3.369 1.00 0.00 C ATOM 976 CG PRO X 65 76.689 -14.782 -3.150 1.00 0.00 C ATOM 977 CD PRO X 65 75.245 -15.009 -3.509 1.00 0.00 C ATOM 0 HA PRO X 65 76.483 -18.062 -3.673 1.00 0.00 H new ATOM 0 HB2 PRO X 65 78.242 -16.187 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO X 65 77.769 -16.158 -4.387 1.00 0.00 H new ATOM 0 HG2 PRO X 65 76.785 -14.460 -2.113 1.00 0.00 H new ATOM 0 HG3 PRO X 65 77.124 -13.998 -3.769 1.00 0.00 H new ATOM 0 HD2 PRO X 65 74.577 -14.476 -2.832 1.00 0.00 H new ATOM 0 HD3 PRO X 65 75.025 -14.657 -4.517 1.00 0.00 H new ATOM 985 N GLY X 66 75.411 -17.057 -0.867 1.00 0.00 N ATOM 986 CA GLY X 66 75.305 -17.319 0.527 1.00 0.00 C ATOM 987 C GLY X 66 75.652 -16.096 1.303 1.00 0.00 C ATOM 988 O GLY X 66 75.532 -14.969 0.777 1.00 0.00 O ATOM 0 H GLY X 66 74.692 -16.429 -1.226 1.00 0.00 H new ATOM 0 HA2 GLY X 66 74.291 -17.638 0.769 1.00 0.00 H new ATOM 0 HA3 GLY X 66 75.971 -18.136 0.803 1.00 0.00 H new ATOM 992 N GLY X 67 76.060 -16.302 2.530 1.00 0.00 N ATOM 993 CA GLY X 67 76.520 -15.239 3.373 1.00 0.00 C ATOM 994 C GLY X 67 75.467 -14.197 3.653 1.00 0.00 C ATOM 995 O GLY X 67 74.419 -14.489 4.237 1.00 0.00 O ATOM 0 H GLY X 67 76.081 -17.222 2.971 1.00 0.00 H new ATOM 0 HA2 GLY X 67 76.865 -15.658 4.318 1.00 0.00 H new ATOM 0 HA3 GLY X 67 77.379 -14.759 2.904 1.00 0.00 H new ATOM 999 N ASP X 68 75.750 -12.997 3.245 1.00 0.00 N ATOM 1000 CA ASP X 68 74.863 -11.858 3.427 1.00 0.00 C ATOM 1001 C ASP X 68 74.549 -11.224 2.090 1.00 0.00 C ATOM 1002 O ASP X 68 73.455 -10.674 1.897 1.00 0.00 O ATOM 1003 CB ASP X 68 75.491 -10.807 4.366 1.00 0.00 C ATOM 1004 CG ASP X 68 76.829 -10.282 3.872 1.00 0.00 C ATOM 1005 OD1 ASP X 68 77.890 -10.883 4.215 1.00 0.00 O ATOM 1006 OD2 ASP X 68 76.861 -9.291 3.148 1.00 0.00 O ATOM 0 H ASP X 68 76.619 -12.764 2.765 1.00 0.00 H new ATOM 0 HA ASP X 68 73.941 -12.220 3.883 1.00 0.00 H new ATOM 0 HB2 ASP X 68 74.800 -9.972 4.479 1.00 0.00 H new ATOM 0 HB3 ASP X 68 75.624 -11.246 5.355 1.00 0.00 H new ATOM 1011 N GLY X 69 75.482 -11.365 1.146 1.00 0.00 N ATOM 1012 CA GLY X 69 75.350 -10.770 -0.169 1.00 0.00 C ATOM 1013 C GLY X 69 74.332 -11.476 -1.034 1.00 0.00 C ATOM 1014 O GLY X 69 74.001 -11.014 -2.114 1.00 0.00 O ATOM 0 H GLY X 69 76.344 -11.894 1.279 1.00 0.00 H new ATOM 0 HA2 GLY X 69 75.065 -9.723 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY X 69 76.318 -10.787 -0.669 1.00 0.00 H new ATOM 1018 N GLY X 70 73.832 -12.592 -0.554 1.00 0.00 N ATOM 1019 CA GLY X 70 72.806 -13.313 -1.254 1.00 0.00 C ATOM 1020 C GLY X 70 71.429 -12.872 -0.808 1.00 0.00 C ATOM 1021 O GLY X 70 70.481 -13.669 -0.803 1.00 0.00 O ATOM 0 H GLY X 70 74.125 -13.018 0.325 1.00 0.00 H new ATOM 0 HA2 GLY X 70 72.913 -13.153 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY X 70 72.924 -14.382 -1.078 1.00 0.00 H new ATOM 1025 N GLY X 71 71.325 -11.609 -0.447 1.00 0.00 N ATOM 1026 CA GLY X 71 70.119 -11.040 0.004 1.00 0.00 C ATOM 1027 C GLY X 71 70.303 -9.557 0.266 1.00 0.00 C ATOM 1028 O GLY X 71 71.402 -9.015 0.055 1.00 0.00 O ATOM 0 H GLY X 71 72.107 -10.954 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY X 71 69.337 -11.191 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY X 71 69.792 -11.540 0.916 1.00 0.00 H new ATOM 1032 N PRO X 72 69.282 -8.901 0.784 1.00 0.00 N ATOM 1033 CA PRO X 72 69.269 -7.459 0.993 1.00 0.00 C ATOM 1034 C PRO X 72 70.167 -7.009 2.128 1.00 0.00 C ATOM 1035 O PRO X 72 70.617 -5.874 2.155 1.00 0.00 O ATOM 1036 CB PRO X 72 67.812 -7.139 1.293 1.00 0.00 C ATOM 1037 CG PRO X 72 67.217 -8.420 1.767 1.00 0.00 C ATOM 1038 CD PRO X 72 68.038 -9.535 1.197 1.00 0.00 C ATOM 0 HA PRO X 72 69.656 -6.934 0.120 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.728 -6.362 2.053 1.00 0.00 H new ATOM 0 HB3 PRO X 72 67.299 -6.772 0.404 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.216 -8.463 2.856 1.00 0.00 H new ATOM 0 HG3 PRO X 72 66.179 -8.504 1.444 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.217 -10.314 1.938 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.534 -10.007 0.353 1.00 0.00 H new ATOM 1046 N GLU X 73 70.476 -7.900 3.037 1.00 0.00 N ATOM 1047 CA GLU X 73 71.335 -7.555 4.147 1.00 0.00 C ATOM 1048 C GLU X 73 72.798 -7.383 3.721 1.00 0.00 C ATOM 1049 O GLU X 73 73.661 -7.090 4.553 1.00 0.00 O ATOM 1050 CB GLU X 73 71.210 -8.539 5.284 1.00 0.00 C ATOM 1051 CG GLU X 73 69.798 -8.699 5.803 1.00 0.00 C ATOM 1052 CD GLU X 73 69.733 -9.637 6.973 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.941 -9.202 8.121 1.00 0.00 O ATOM 1054 OE2 GLU X 73 69.502 -10.836 6.766 1.00 0.00 O ATOM 0 H GLU X 73 70.148 -8.866 3.033 1.00 0.00 H new ATOM 0 HA GLU X 73 70.991 -6.587 4.510 1.00 0.00 H new ATOM 0 HB2 GLU X 73 71.577 -9.510 4.953 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.853 -8.217 6.103 1.00 0.00 H new ATOM 0 HG2 GLU X 73 69.407 -7.725 6.097 1.00 0.00 H new ATOM 0 HG3 GLU X 73 69.158 -9.071 5.003 1.00 0.00 H new ATOM 1061 N GLY X 74 73.071 -7.555 2.453 1.00 0.00 N ATOM 1062 CA GLY X 74 74.397 -7.301 1.993 1.00 0.00 C ATOM 1063 C GLY X 74 74.523 -6.012 1.220 1.00 0.00 C ATOM 1064 O GLY X 74 75.629 -5.517 1.031 1.00 0.00 O ATOM 0 H GLY X 74 72.407 -7.862 1.742 1.00 0.00 H new ATOM 0 HA2 GLY X 74 75.072 -7.271 2.849 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.720 -8.129 1.361 1.00 0.00 H new ATOM 1068 N ILE X 75 73.390 -5.422 0.807 1.00 0.00 N ATOM 1069 CA ILE X 75 73.441 -4.141 0.069 1.00 0.00 C ATOM 1070 C ILE X 75 73.872 -3.086 1.066 1.00 0.00 C ATOM 1071 O ILE X 75 74.722 -2.250 0.807 1.00 0.00 O ATOM 1072 CB ILE X 75 72.055 -3.700 -0.501 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.142 -4.913 -0.729 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.251 -2.905 -1.794 1.00 0.00 C ATOM 1075 CD1 ILE X 75 69.808 -4.619 -1.410 1.00 0.00 C ATOM 0 H ILE X 75 72.453 -5.794 0.963 1.00 0.00 H new ATOM 0 HA ILE X 75 74.120 -4.261 -0.775 1.00 0.00 H new ATOM 0 HB ILE X 75 71.566 -3.057 0.230 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.683 -5.644 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE X 75 70.942 -5.380 0.235 1.00 0.00 H new ATOM 0 HG21 ILE X 75 71.280 -2.601 -2.185 1.00 0.00 H new ATOM 0 HG22 ILE X 75 72.853 -2.020 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.760 -3.527 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.244 -5.545 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE X 75 69.237 -3.917 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE X 75 69.989 -4.185 -2.393 1.00 0.00 H new ATOM 1087 N VAL X 76 73.272 -3.192 2.222 1.00 0.00 N ATOM 1088 CA VAL X 76 73.549 -2.353 3.382 1.00 0.00 C ATOM 1089 C VAL X 76 74.981 -2.468 3.821 1.00 0.00 C ATOM 1090 O VAL X 76 75.658 -1.476 4.072 1.00 0.00 O ATOM 1091 CB VAL X 76 72.603 -2.746 4.536 1.00 0.00 C ATOM 1092 CG1 VAL X 76 72.394 -4.219 4.656 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.901 -2.070 5.860 1.00 0.00 C ATOM 0 H VAL X 76 72.548 -3.888 2.399 1.00 0.00 H new ATOM 0 HA VAL X 76 73.377 -1.314 3.102 1.00 0.00 H new ATOM 0 HB VAL X 76 71.639 -2.334 4.240 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.719 -4.424 5.487 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.959 -4.601 3.732 1.00 0.00 H new ATOM 0 HG13 VAL X 76 73.351 -4.709 4.837 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.186 -2.407 6.610 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.911 -2.327 6.180 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.821 -0.989 5.743 1.00 0.00 H new ATOM 1103 N LYS X 77 75.413 -3.671 3.905 1.00 0.00 N ATOM 1104 CA LYS X 77 76.773 -3.989 4.280 1.00 0.00 C ATOM 1105 C LYS X 77 77.755 -3.385 3.273 1.00 0.00 C ATOM 1106 O LYS X 77 78.760 -2.789 3.661 1.00 0.00 O ATOM 1107 CB LYS X 77 76.948 -5.496 4.400 1.00 0.00 C ATOM 1108 CG LYS X 77 78.342 -5.943 4.791 1.00 0.00 C ATOM 1109 CD LYS X 77 78.365 -7.430 5.029 1.00 0.00 C ATOM 1110 CE LYS X 77 79.766 -7.954 5.181 1.00 0.00 C ATOM 1111 NZ LYS X 77 79.788 -9.411 5.407 1.00 0.00 N ATOM 0 H LYS X 77 74.835 -4.490 3.715 1.00 0.00 H new ATOM 0 HA LYS X 77 76.987 -3.552 5.255 1.00 0.00 H new ATOM 0 HB2 LYS X 77 76.240 -5.872 5.138 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.688 -5.955 3.446 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.049 -5.683 4.004 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.661 -5.418 5.692 1.00 0.00 H new ATOM 0 HD2 LYS X 77 77.792 -7.663 5.926 1.00 0.00 H new ATOM 0 HD3 LYS X 77 77.876 -7.938 4.198 1.00 0.00 H new ATOM 0 HE2 LYS X 77 80.341 -7.717 4.286 1.00 0.00 H new ATOM 0 HE3 LYS X 77 80.253 -7.450 6.016 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 80.766 -9.758 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 79.412 -9.621 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 79.202 -9.883 4.689 1.00 0.00 H new ATOM 1125 N GLU X 78 77.416 -3.493 1.989 1.00 0.00 N ATOM 1126 CA GLU X 78 78.207 -2.912 0.913 1.00 0.00 C ATOM 1127 C GLU X 78 78.303 -1.385 1.132 1.00 0.00 C ATOM 1128 O GLU X 78 79.374 -0.777 0.973 1.00 0.00 O ATOM 1129 CB GLU X 78 77.534 -3.218 -0.446 1.00 0.00 C ATOM 1130 CG GLU X 78 78.408 -2.972 -1.651 1.00 0.00 C ATOM 1131 CD GLU X 78 79.529 -3.966 -1.754 1.00 0.00 C ATOM 1132 OE1 GLU X 78 79.338 -5.027 -2.394 1.00 0.00 O ATOM 1133 OE2 GLU X 78 80.622 -3.712 -1.216 1.00 0.00 O ATOM 0 H GLU X 78 76.583 -3.987 1.668 1.00 0.00 H new ATOM 0 HA GLU X 78 79.209 -3.340 0.911 1.00 0.00 H new ATOM 0 HB2 GLU X 78 77.215 -4.260 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU X 78 76.634 -2.609 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU X 78 77.800 -3.019 -2.554 1.00 0.00 H new ATOM 0 HG3 GLU X 78 78.822 -1.965 -1.597 1.00 0.00 H new ATOM 1140 N ILE X 79 77.186 -0.796 1.546 1.00 0.00 N ATOM 1141 CA ILE X 79 77.096 0.635 1.821 1.00 0.00 C ATOM 1142 C ILE X 79 77.933 1.036 3.030 1.00 0.00 C ATOM 1143 O ILE X 79 78.686 2.013 2.963 1.00 0.00 O ATOM 1144 CB ILE X 79 75.618 1.087 2.072 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.737 0.907 0.822 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.552 2.530 2.579 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.174 1.738 -0.359 1.00 0.00 C ATOM 0 H ILE X 79 76.313 -1.300 1.701 1.00 0.00 H new ATOM 0 HA ILE X 79 77.483 1.133 0.932 1.00 0.00 H new ATOM 0 HB ILE X 79 75.219 0.435 2.850 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.741 -0.145 0.535 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.708 1.165 1.074 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.512 2.811 2.743 1.00 0.00 H new ATOM 0 HG22 ILE X 79 76.102 2.612 3.517 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.996 3.196 1.839 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.504 1.556 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.143 2.794 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.191 1.465 -0.640 1.00 0.00 H new ATOM 1159 N LYS X 80 77.830 0.282 4.119 1.00 0.00 N ATOM 1160 CA LYS X 80 78.520 0.659 5.347 1.00 0.00 C ATOM 1161 C LYS X 80 80.021 0.636 5.148 1.00 0.00 C ATOM 1162 O LYS X 80 80.732 1.491 5.667 1.00 0.00 O ATOM 1163 CB LYS X 80 78.084 -0.170 6.581 1.00 0.00 C ATOM 1164 CG LYS X 80 78.634 -1.577 6.691 1.00 0.00 C ATOM 1165 CD LYS X 80 78.038 -2.281 7.899 1.00 0.00 C ATOM 1166 CE LYS X 80 78.749 -3.584 8.206 1.00 0.00 C ATOM 1167 NZ LYS X 80 80.142 -3.366 8.673 1.00 0.00 N ATOM 0 H LYS X 80 77.286 -0.579 4.178 1.00 0.00 H new ATOM 0 HA LYS X 80 78.221 1.683 5.571 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.374 0.378 7.477 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.996 -0.230 6.582 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.404 -2.137 5.785 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.720 -1.545 6.779 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.096 -1.624 8.767 1.00 0.00 H new ATOM 0 HD3 LYS X 80 76.981 -2.479 7.718 1.00 0.00 H new ATOM 0 HE2 LYS X 80 78.193 -4.129 8.969 1.00 0.00 H new ATOM 0 HE3 LYS X 80 78.760 -4.209 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 80.497 -4.234 9.123 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 80.746 -3.124 7.862 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 80.159 -2.587 9.362 1.00 0.00 H new ATOM 1181 N GLU X 81 80.492 -0.315 4.345 1.00 0.00 N ATOM 1182 CA GLU X 81 81.901 -0.415 4.057 1.00 0.00 C ATOM 1183 C GLU X 81 82.386 0.801 3.271 1.00 0.00 C ATOM 1184 O GLU X 81 83.434 1.373 3.586 1.00 0.00 O ATOM 1185 CB GLU X 81 82.246 -1.728 3.349 1.00 0.00 C ATOM 1186 CG GLU X 81 81.932 -2.965 4.184 1.00 0.00 C ATOM 1187 CD GLU X 81 82.362 -4.249 3.522 1.00 0.00 C ATOM 1188 OE1 GLU X 81 83.523 -4.680 3.728 1.00 0.00 O ATOM 1189 OE2 GLU X 81 81.557 -4.867 2.790 1.00 0.00 O ATOM 0 H GLU X 81 79.913 -1.020 3.889 1.00 0.00 H new ATOM 0 HA GLU X 81 82.433 -0.425 5.008 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.694 -1.782 2.410 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.306 -1.729 3.096 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.427 -2.878 5.151 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.860 -3.004 4.377 1.00 0.00 H new ATOM 1196 N TRP X 82 81.581 1.232 2.310 1.00 0.00 N ATOM 1197 CA TRP X 82 81.901 2.389 1.479 1.00 0.00 C ATOM 1198 C TRP X 82 81.901 3.643 2.323 1.00 0.00 C ATOM 1199 O TRP X 82 82.837 4.443 2.276 1.00 0.00 O ATOM 1200 CB TRP X 82 80.825 2.564 0.427 1.00 0.00 C ATOM 1201 CG TRP X 82 81.103 3.646 -0.586 1.00 0.00 C ATOM 1202 CD1 TRP X 82 81.855 3.535 -1.714 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.599 4.993 -0.572 1.00 0.00 C ATOM 1204 NE1 TRP X 82 81.846 4.720 -2.407 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.088 5.629 -1.729 1.00 0.00 C ATOM 1206 CE3 TRP X 82 79.786 5.715 0.304 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 80.786 6.948 -2.036 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.490 7.025 0.004 1.00 0.00 C ATOM 1209 CH2 TRP X 82 79.984 7.630 -1.154 1.00 0.00 C ATOM 0 H TRP X 82 80.689 0.792 2.083 1.00 0.00 H new ATOM 0 HA TRP X 82 82.878 2.229 1.024 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.693 1.618 -0.099 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.881 2.786 0.926 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.383 2.644 -2.020 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.329 4.893 -3.288 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.397 5.254 1.200 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.166 7.419 -2.931 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 78.865 7.595 0.675 1.00 0.00 H new ATOM 0 HH2 TRP X 82 79.729 8.659 -1.361 1.00 0.00 H new ATOM 1220 N ARG X 83 80.846 3.782 3.108 1.00 0.00 N ATOM 1221 CA ARG X 83 80.602 4.959 3.913 1.00 0.00 C ATOM 1222 C ARG X 83 81.747 5.137 4.916 1.00 0.00 C ATOM 1223 O ARG X 83 82.279 6.235 5.073 1.00 0.00 O ATOM 1224 CB ARG X 83 79.319 4.767 4.693 1.00 0.00 C ATOM 1225 CG ARG X 83 78.661 6.032 5.163 1.00 0.00 C ATOM 1226 CD ARG X 83 77.780 6.736 4.128 1.00 0.00 C ATOM 1227 NE ARG X 83 77.190 7.938 4.744 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.729 9.044 4.142 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.606 9.122 2.826 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.331 10.059 4.898 1.00 0.00 N ATOM 0 H ARG X 83 80.125 3.066 3.203 1.00 0.00 H new ATOM 0 HA ARG X 83 80.530 5.832 3.264 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.612 4.219 4.070 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.530 4.142 5.561 1.00 0.00 H new ATOM 0 HG2 ARG X 83 78.052 5.802 6.037 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.436 6.726 5.488 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.371 7.011 3.254 1.00 0.00 H new ATOM 0 HD3 ARG X 83 76.994 6.065 3.783 1.00 0.00 H new ATOM 0 HE ARG X 83 77.124 7.927 5.762 1.00 0.00 H new ATOM 0 HH11 ARG X 83 76.865 8.327 2.242 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.252 9.977 2.397 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.380 9.988 5.914 1.00 0.00 H new ATOM 0 HH22 ARG X 83 75.977 10.911 4.463 1.00 0.00 H new ATOM 1244 N ALA X 84 82.126 4.039 5.561 1.00 0.00 N ATOM 1245 CA ALA X 84 83.191 4.037 6.553 1.00 0.00 C ATOM 1246 C ALA X 84 84.537 4.333 5.915 1.00 0.00 C ATOM 1247 O ALA X 84 85.304 5.142 6.432 1.00 0.00 O ATOM 1248 CB ALA X 84 83.233 2.711 7.294 1.00 0.00 C ATOM 0 H ALA X 84 81.701 3.124 5.409 1.00 0.00 H new ATOM 0 HA ALA X 84 82.978 4.828 7.272 1.00 0.00 H new ATOM 0 HB1 ALA X 84 84.036 2.731 8.031 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.281 2.546 7.799 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.412 1.903 6.584 1.00 0.00 H new ATOM 1254 N ALA X 85 84.803 3.713 4.771 1.00 0.00 N ATOM 1255 CA ALA X 85 86.067 3.912 4.055 1.00 0.00 C ATOM 1256 C ALA X 85 86.178 5.332 3.511 1.00 0.00 C ATOM 1257 O ALA X 85 87.272 5.855 3.331 1.00 0.00 O ATOM 1258 CB ALA X 85 86.214 2.901 2.926 1.00 0.00 C ATOM 0 H ALA X 85 84.161 3.065 4.315 1.00 0.00 H new ATOM 0 HA ALA X 85 86.877 3.758 4.768 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.159 3.068 2.409 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.199 1.892 3.337 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.390 3.019 2.223 1.00 0.00 H new ATOM 1264 N ASN X 86 85.037 5.952 3.261 1.00 0.00 N ATOM 1265 CA ASN X 86 85.003 7.327 2.760 1.00 0.00 C ATOM 1266 C ASN X 86 85.083 8.286 3.954 1.00 0.00 C ATOM 1267 O ASN X 86 85.288 9.483 3.805 1.00 0.00 O ATOM 1268 CB ASN X 86 83.691 7.592 1.998 1.00 0.00 C ATOM 1269 CG ASN X 86 83.770 8.766 1.021 1.00 0.00 C ATOM 1270 OD1 ASN X 86 84.572 9.674 1.167 1.00 0.00 O ATOM 1271 ND2 ASN X 86 82.889 8.777 0.055 1.00 0.00 N ATOM 0 H ASN X 86 84.118 5.530 3.395 1.00 0.00 H new ATOM 0 HA ASN X 86 85.843 7.481 2.083 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.413 6.693 1.449 1.00 0.00 H new ATOM 0 HB3 ASN X 86 82.896 7.784 2.718 1.00 0.00 H new ATOM 0 HD21 ASN X 86 82.860 9.558 -0.600 1.00 0.00 H new ATOM 0 HD22 ASN X 86 82.230 8.004 -0.043 1.00 0.00 H new ATOM 1278 N GLY X 87 84.911 7.742 5.141 1.00 0.00 N ATOM 1279 CA GLY X 87 84.941 8.537 6.340 1.00 0.00 C ATOM 1280 C GLY X 87 83.684 9.351 6.509 1.00 0.00 C ATOM 1281 O GLY X 87 83.729 10.501 6.965 1.00 0.00 O ATOM 0 H GLY X 87 84.749 6.747 5.296 1.00 0.00 H new ATOM 0 HA2 GLY X 87 85.070 7.885 7.204 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.803 9.203 6.312 1.00 0.00 H new ATOM 1285 N LYS X 88 82.559 8.778 6.148 1.00 0.00 N ATOM 1286 CA LYS X 88 81.332 9.432 6.213 1.00 0.00 C ATOM 1287 C LYS X 88 80.437 8.697 7.194 1.00 0.00 C ATOM 1288 O LYS X 88 80.454 7.463 7.232 1.00 0.00 O ATOM 1289 CB LYS X 88 80.769 9.456 4.801 1.00 0.00 C ATOM 1290 CG LYS X 88 81.385 10.561 3.930 1.00 0.00 C ATOM 1291 CD LYS X 88 81.175 10.362 2.424 1.00 0.00 C ATOM 1292 CE LYS X 88 79.725 10.358 1.984 1.00 0.00 C ATOM 1293 NZ LYS X 88 79.036 11.642 2.265 1.00 0.00 N ATOM 0 H LYS X 88 82.501 7.822 5.797 1.00 0.00 H new ATOM 0 HA LYS X 88 81.418 10.457 6.573 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.944 8.489 4.329 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.689 9.597 4.848 1.00 0.00 H new ATOM 0 HG2 LYS X 88 80.957 11.520 4.222 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.455 10.615 4.133 1.00 0.00 H new ATOM 0 HD2 LYS X 88 81.701 11.153 1.890 1.00 0.00 H new ATOM 0 HD3 LYS X 88 81.633 9.418 2.128 1.00 0.00 H new ATOM 0 HE2 LYS X 88 79.675 10.150 0.915 1.00 0.00 H new ATOM 0 HE3 LYS X 88 79.198 9.550 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 78.075 11.614 1.869 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 78.983 11.790 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 79.567 12.423 1.830 1.00 0.00 H new ATOM 1307 N PRO X 89 79.698 9.430 8.043 1.00 0.00 N ATOM 1308 CA PRO X 89 78.795 8.821 9.023 1.00 0.00 C ATOM 1309 C PRO X 89 77.701 8.041 8.321 1.00 0.00 C ATOM 1310 O PRO X 89 77.081 8.542 7.370 1.00 0.00 O ATOM 1311 CB PRO X 89 78.212 10.016 9.793 1.00 0.00 C ATOM 1312 CG PRO X 89 78.433 11.195 8.905 1.00 0.00 C ATOM 1313 CD PRO X 89 79.681 10.905 8.124 1.00 0.00 C ATOM 0 HA PRO X 89 79.300 8.113 9.680 1.00 0.00 H new ATOM 0 HB2 PRO X 89 77.152 9.872 10.001 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.710 10.147 10.754 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.583 11.345 8.239 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.544 12.108 9.491 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.651 11.362 7.135 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.568 11.290 8.626 1.00 0.00 H new ATOM 1321 N GLY X 90 77.504 6.822 8.728 1.00 0.00 N ATOM 1322 CA GLY X 90 76.548 6.001 8.071 1.00 0.00 C ATOM 1323 C GLY X 90 75.363 5.689 8.917 1.00 0.00 C ATOM 1324 O GLY X 90 74.624 6.581 9.318 1.00 0.00 O ATOM 0 H GLY X 90 77.992 6.382 9.508 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.215 6.499 7.160 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.026 5.069 7.768 1.00 0.00 H new ATOM 1328 N PHE X 91 75.228 4.439 9.235 1.00 0.00 N ATOM 1329 CA PHE X 91 74.068 3.938 9.918 1.00 0.00 C ATOM 1330 C PHE X 91 74.189 4.137 11.392 1.00 0.00 C ATOM 1331 O PHE X 91 75.304 4.168 11.947 1.00 0.00 O ATOM 1332 CB PHE X 91 73.899 2.443 9.647 1.00 0.00 C ATOM 1333 CG PHE X 91 73.798 2.092 8.204 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.665 2.394 7.492 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.846 1.465 7.555 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.574 2.076 6.169 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.752 1.148 6.218 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.615 1.452 5.529 1.00 0.00 C ATOM 0 H PHE X 91 75.927 3.726 9.026 1.00 0.00 H new ATOM 0 HA PHE X 91 73.204 4.489 9.546 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.744 1.909 10.081 1.00 0.00 H new ATOM 0 HB3 PHE X 91 73.003 2.091 10.158 1.00 0.00 H new ATOM 0 HD1 PHE X 91 71.839 2.887 7.983 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.746 1.222 8.101 1.00 0.00 H new ATOM 0 HE1 PHE X 91 71.675 2.317 5.621 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.575 0.661 5.717 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.534 1.202 4.481 1.00 0.00 H new ATOM 1348 N LYS X 92 73.068 4.261 12.037 1.00 0.00 N ATOM 1349 CA LYS X 92 73.030 4.325 13.420 1.00 0.00 C ATOM 1350 C LYS X 92 72.953 2.913 13.911 1.00 0.00 C ATOM 1351 O LYS X 92 72.686 1.975 13.139 1.00 0.00 O ATOM 1352 CB LYS X 92 71.815 5.091 13.902 1.00 0.00 C ATOM 1353 CG LYS X 92 70.482 4.400 13.687 1.00 0.00 C ATOM 1354 CD LYS X 92 69.324 5.134 14.360 1.00 0.00 C ATOM 1355 CE LYS X 92 69.453 5.148 15.882 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.281 5.783 16.525 1.00 0.00 N ATOM 0 H LYS X 92 72.155 4.319 11.587 1.00 0.00 H new ATOM 0 HA LYS X 92 73.913 4.842 13.797 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.933 5.293 14.967 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.791 6.056 13.396 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.286 4.322 12.618 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.537 3.383 14.075 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.283 6.159 13.992 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.384 4.658 14.082 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.560 4.127 16.248 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.359 5.684 16.166 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.404 5.774 17.558 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.194 6.765 16.195 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.420 5.256 16.275 1.00 0.00 H new ATOM 1370 N GLN X 93 73.168 2.740 15.135 1.00 0.00 N ATOM 1371 CA GLN X 93 73.143 1.473 15.711 1.00 0.00 C ATOM 1372 C GLN X 93 71.883 1.330 16.513 1.00 0.00 C ATOM 1373 O GLN X 93 71.415 2.293 17.106 1.00 0.00 O ATOM 1374 CB GLN X 93 74.326 1.373 16.600 1.00 0.00 C ATOM 1375 CG GLN X 93 75.673 1.444 15.889 1.00 0.00 C ATOM 1376 CD GLN X 93 75.820 0.431 14.763 1.00 0.00 C ATOM 1377 OE1 GLN X 93 76.229 -0.701 14.986 1.00 0.00 O ATOM 1378 NE2 GLN X 93 75.531 0.833 13.553 1.00 0.00 N ATOM 0 H GLN X 93 73.373 3.495 15.789 1.00 0.00 H new ATOM 0 HA GLN X 93 73.168 0.688 14.955 1.00 0.00 H new ATOM 0 HB2 GLN X 93 74.278 2.176 17.336 1.00 0.00 H new ATOM 0 HB3 GLN X 93 74.271 0.433 17.149 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.809 2.447 15.485 1.00 0.00 H new ATOM 0 HG3 GLN X 93 76.468 1.284 16.617 1.00 0.00 H new ATOM 0 HE21 GLN X 93 75.192 1.783 13.398 1.00 0.00 H new ATOM 0 HE22 GLN X 93 75.644 0.197 12.764 1.00 0.00 H new ATOM 1387 N GLY X 94 71.314 0.180 16.482 1.00 0.00 N ATOM 1388 CA GLY X 94 70.167 -0.095 17.265 1.00 0.00 C ATOM 1389 C GLY X 94 69.536 -1.357 16.801 1.00 0.00 C ATOM 1390 O GLY X 94 68.322 -1.529 16.969 1.00 0.00 O ATOM 1391 OXT GLY X 94 70.244 -2.189 16.214 1.00 0.00 O ATOM 0 H GLY X 94 71.633 -0.601 15.909 1.00 0.00 H new ATOM 0 HA2 GLY X 94 70.444 -0.180 18.316 1.00 0.00 H new ATOM 0 HA3 GLY X 94 69.456 0.728 17.188 1.00 0.00 H new TER 1395 GLY X 94