USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -118:sc= 1.36 USER MOD Set 1.2: A 65 TYR OH : rot -174:sc= 2.58 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0166 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -99:sc= 1.22 (180deg=0.0839) USER MOD Single : A 17 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0604 USER MOD Single : A 35 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.23) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0686 X(o=-0.069,f=-0.15) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0365) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.029 (180deg=-0.271) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 29:sc= 1.01 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 37:sc= 1.02 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.07) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0759 K(o=-0.076,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.246 4.294 14.579 1.00 0.00 N ATOM 2 CA GLY A 1 15.562 3.711 14.289 1.00 0.00 C ATOM 3 C GLY A 1 16.024 4.136 12.913 1.00 0.00 C ATOM 4 O GLY A 1 15.887 5.308 12.564 1.00 0.00 O ATOM 0 H1 GLY A 1 14.243 4.682 15.544 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.046 5.056 13.899 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.515 3.558 14.499 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.284 4.032 15.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.507 2.624 14.344 1.00 0.00 H new ATOM 8 N MET A 2 16.559 3.211 12.114 1.00 0.00 N ATOM 9 CA MET A 2 16.882 3.433 10.709 1.00 0.00 C ATOM 10 C MET A 2 16.362 2.224 9.929 1.00 0.00 C ATOM 11 O MET A 2 17.134 1.345 9.545 1.00 0.00 O ATOM 12 CB MET A 2 18.394 3.646 10.494 1.00 0.00 C ATOM 13 CG MET A 2 19.082 4.706 11.357 1.00 0.00 C ATOM 14 SD MET A 2 20.889 4.630 11.183 1.00 0.00 S ATOM 15 CE MET A 2 21.384 5.746 12.521 1.00 0.00 C ATOM 0 H MET A 2 16.783 2.269 12.435 1.00 0.00 H new ATOM 0 HA MET A 2 16.406 4.346 10.352 1.00 0.00 H new ATOM 0 HB2 MET A 2 18.897 2.694 10.664 1.00 0.00 H new ATOM 0 HB3 MET A 2 18.553 3.908 9.448 1.00 0.00 H new ATOM 0 HG2 MET A 2 18.729 5.696 11.070 1.00 0.00 H new ATOM 0 HG3 MET A 2 18.809 4.560 12.402 1.00 0.00 H new ATOM 0 HE1 MET A 2 22.471 5.814 12.555 1.00 0.00 H new ATOM 0 HE2 MET A 2 20.964 6.736 12.343 1.00 0.00 H new ATOM 0 HE3 MET A 2 21.015 5.361 13.471 1.00 0.00 H new ATOM 25 N VAL A 3 15.046 2.163 9.726 1.00 0.00 N ATOM 26 CA VAL A 3 14.403 1.262 8.777 1.00 0.00 C ATOM 27 C VAL A 3 13.429 2.128 7.978 1.00 0.00 C ATOM 28 O VAL A 3 12.555 2.783 8.552 1.00 0.00 O ATOM 29 CB VAL A 3 13.717 0.067 9.478 1.00 0.00 C ATOM 30 CG1 VAL A 3 13.262 -0.969 8.440 1.00 0.00 C ATOM 31 CG2 VAL A 3 14.643 -0.651 10.473 1.00 0.00 C ATOM 0 H VAL A 3 14.384 2.754 10.230 1.00 0.00 H new ATOM 0 HA VAL A 3 15.131 0.794 8.115 1.00 0.00 H new ATOM 0 HB VAL A 3 12.870 0.484 10.023 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.781 -1.805 8.947 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.555 -0.507 7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 3 14.127 -1.331 7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.108 -1.481 10.935 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.518 -1.032 9.946 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.961 0.050 11.245 1.00 0.00 H new ATOM 41 N LYS A 4 13.665 2.228 6.673 1.00 0.00 N ATOM 42 CA LYS A 4 12.890 2.952 5.668 1.00 0.00 C ATOM 43 C LYS A 4 12.828 2.147 4.365 1.00 0.00 C ATOM 44 O LYS A 4 12.532 2.697 3.304 1.00 0.00 O ATOM 45 CB LYS A 4 13.501 4.349 5.400 1.00 0.00 C ATOM 46 CG LYS A 4 13.587 5.301 6.604 1.00 0.00 C ATOM 47 CD LYS A 4 14.803 5.096 7.532 1.00 0.00 C ATOM 48 CE LYS A 4 15.855 6.203 7.407 1.00 0.00 C ATOM 49 NZ LYS A 4 16.556 6.129 6.115 1.00 0.00 N ATOM 0 H LYS A 4 14.472 1.765 6.255 1.00 0.00 H new ATOM 0 HA LYS A 4 11.879 3.087 6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.506 4.211 5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.913 4.835 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.605 6.326 6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.678 5.192 7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.459 5.047 8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.267 4.136 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.376 7.177 7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.576 6.117 8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.262 6.891 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.032 5.208 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.870 6.236 5.341 1.00 0.00 H new ATOM 63 N GLU A 5 13.155 0.860 4.426 1.00 0.00 N ATOM 64 CA GLU A 5 13.492 0.025 3.279 1.00 0.00 C ATOM 65 C GLU A 5 12.754 -1.308 3.349 1.00 0.00 C ATOM 66 O GLU A 5 13.360 -2.377 3.277 1.00 0.00 O ATOM 67 CB GLU A 5 15.022 -0.097 3.143 1.00 0.00 C ATOM 68 CG GLU A 5 15.767 -0.679 4.367 1.00 0.00 C ATOM 69 CD GLU A 5 16.615 0.376 5.084 1.00 0.00 C ATOM 70 OE1 GLU A 5 16.032 1.312 5.683 1.00 0.00 O ATOM 71 OE2 GLU A 5 17.860 0.301 5.028 1.00 0.00 O ATOM 0 H GLU A 5 13.194 0.351 5.309 1.00 0.00 H new ATOM 0 HA GLU A 5 13.148 0.496 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.241 -0.723 2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.428 0.892 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.043 -1.097 5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.408 -1.499 4.044 1.00 0.00 H new ATOM 78 N THR A 6 11.431 -1.244 3.490 1.00 0.00 N ATOM 79 CA THR A 6 10.570 -2.415 3.532 1.00 0.00 C ATOM 80 C THR A 6 9.497 -2.289 2.451 1.00 0.00 C ATOM 81 O THR A 6 9.156 -1.183 2.010 1.00 0.00 O ATOM 82 CB THR A 6 9.993 -2.604 4.948 1.00 0.00 C ATOM 83 OG1 THR A 6 11.001 -2.401 5.919 1.00 0.00 O ATOM 84 CG2 THR A 6 9.437 -4.015 5.126 1.00 0.00 C ATOM 0 H THR A 6 10.924 -0.363 3.579 1.00 0.00 H new ATOM 0 HA THR A 6 11.142 -3.318 3.316 1.00 0.00 H new ATOM 0 HB THR A 6 9.192 -1.876 5.076 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.622 -2.522 6.814 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.036 -4.123 6.134 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.644 -4.188 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.234 -4.742 4.973 1.00 0.00 H new ATOM 92 N THR A 7 8.970 -3.439 2.033 1.00 0.00 N ATOM 93 CA THR A 7 7.989 -3.576 0.976 1.00 0.00 C ATOM 94 C THR A 7 6.664 -2.861 1.286 1.00 0.00 C ATOM 95 O THR A 7 6.393 -2.369 2.384 1.00 0.00 O ATOM 96 CB THR A 7 7.800 -5.077 0.678 1.00 0.00 C ATOM 97 OG1 THR A 7 7.132 -5.276 -0.544 1.00 0.00 O ATOM 98 CG2 THR A 7 7.013 -5.818 1.761 1.00 0.00 C ATOM 0 H THR A 7 9.231 -4.335 2.444 1.00 0.00 H new ATOM 0 HA THR A 7 8.361 -3.075 0.082 1.00 0.00 H new ATOM 0 HB THR A 7 8.811 -5.483 0.640 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.288 -5.747 -0.382 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.918 -6.869 1.487 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.539 -5.737 2.712 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.021 -5.376 1.856 1.00 0.00 H new ATOM 106 N TYR A 8 5.797 -2.902 0.281 1.00 0.00 N ATOM 107 CA TYR A 8 4.506 -2.251 0.169 1.00 0.00 C ATOM 108 C TYR A 8 3.565 -2.536 1.333 1.00 0.00 C ATOM 109 O TYR A 8 2.778 -1.661 1.686 1.00 0.00 O ATOM 110 CB TYR A 8 3.920 -2.645 -1.197 1.00 0.00 C ATOM 111 CG TYR A 8 4.774 -2.203 -2.378 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.449 -0.962 -2.354 1.00 0.00 C ATOM 113 CD2 TYR A 8 4.946 -3.064 -3.481 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.320 -0.603 -3.391 1.00 0.00 C ATOM 115 CE2 TYR A 8 5.835 -2.717 -4.515 1.00 0.00 C ATOM 116 CZ TYR A 8 6.538 -1.492 -4.461 1.00 0.00 C ATOM 117 OH TYR A 8 7.477 -1.159 -5.379 1.00 0.00 O ATOM 0 H TYR A 8 6.006 -3.447 -0.556 1.00 0.00 H new ATOM 0 HA TYR A 8 4.637 -1.170 0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.799 -3.728 -1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.926 -2.210 -1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.292 -0.284 -1.528 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.395 -3.991 -3.532 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.823 0.353 -3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.980 -3.387 -5.350 1.00 0.00 H new ATOM 0 HH TYR A 8 7.528 -1.859 -6.063 1.00 0.00 H new ATOM 127 N TYR A 9 3.682 -3.694 1.978 1.00 0.00 N ATOM 128 CA TYR A 9 2.962 -3.982 3.210 1.00 0.00 C ATOM 129 C TYR A 9 3.293 -2.970 4.304 1.00 0.00 C ATOM 130 O TYR A 9 2.395 -2.288 4.800 1.00 0.00 O ATOM 131 CB TYR A 9 3.285 -5.409 3.650 1.00 0.00 C ATOM 132 CG TYR A 9 2.681 -6.442 2.728 1.00 0.00 C ATOM 133 CD1 TYR A 9 1.283 -6.553 2.618 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.509 -7.323 2.011 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.715 -7.537 1.797 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.946 -8.290 1.166 1.00 0.00 C ATOM 137 CZ TYR A 9 1.546 -8.381 1.033 1.00 0.00 C ATOM 138 OH TYR A 9 0.991 -9.275 0.174 1.00 0.00 O ATOM 0 H TYR A 9 4.279 -4.457 1.659 1.00 0.00 H new ATOM 0 HA TYR A 9 1.891 -3.897 3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.366 -5.541 3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.914 -5.568 4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.645 -5.877 3.168 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.582 -7.255 2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.358 -7.648 1.750 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.585 -8.965 0.617 1.00 0.00 H new ATOM 0 HH TYR A 9 1.700 -9.779 -0.277 1.00 0.00 H new ATOM 148 N ASP A 10 4.569 -2.847 4.676 1.00 0.00 N ATOM 149 CA ASP A 10 4.953 -1.982 5.789 1.00 0.00 C ATOM 150 C ASP A 10 4.768 -0.511 5.416 1.00 0.00 C ATOM 151 O ASP A 10 4.540 0.301 6.316 1.00 0.00 O ATOM 152 CB ASP A 10 6.388 -2.271 6.288 1.00 0.00 C ATOM 153 CG ASP A 10 6.446 -2.941 7.677 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.558 -2.699 8.527 1.00 0.00 O ATOM 155 OD2 ASP A 10 7.436 -3.664 7.952 1.00 0.00 O ATOM 0 H ASP A 10 5.346 -3.331 4.227 1.00 0.00 H new ATOM 0 HA ASP A 10 4.288 -2.206 6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.891 -2.913 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.945 -1.335 6.324 1.00 0.00 H new ATOM 160 N VAL A 11 4.779 -0.164 4.119 1.00 0.00 N ATOM 161 CA VAL A 11 4.403 1.161 3.611 1.00 0.00 C ATOM 162 C VAL A 11 2.945 1.420 3.952 1.00 0.00 C ATOM 163 O VAL A 11 2.596 2.473 4.493 1.00 0.00 O ATOM 164 CB VAL A 11 4.621 1.249 2.083 1.00 0.00 C ATOM 165 CG1 VAL A 11 4.096 2.556 1.469 1.00 0.00 C ATOM 166 CG2 VAL A 11 6.091 1.084 1.701 1.00 0.00 C ATOM 0 H VAL A 11 5.055 -0.811 3.381 1.00 0.00 H new ATOM 0 HA VAL A 11 5.033 1.917 4.079 1.00 0.00 H new ATOM 0 HB VAL A 11 4.042 0.421 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.280 2.553 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.025 2.640 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.610 3.403 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.196 1.153 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.680 1.870 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.448 0.111 2.039 1.00 0.00 H new ATOM 176 N LEU A 12 2.076 0.459 3.641 1.00 0.00 N ATOM 177 CA LEU A 12 0.650 0.515 3.922 1.00 0.00 C ATOM 178 C LEU A 12 0.357 0.256 5.407 1.00 0.00 C ATOM 179 O LEU A 12 -0.803 0.087 5.797 1.00 0.00 O ATOM 180 CB LEU A 12 -0.084 -0.460 2.984 1.00 0.00 C ATOM 181 CG LEU A 12 -0.005 -0.034 1.501 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.377 -1.193 0.572 1.00 0.00 C ATOM 183 CD2 LEU A 12 -0.933 1.146 1.208 1.00 0.00 C ATOM 0 H LEU A 12 2.357 -0.403 3.173 1.00 0.00 H new ATOM 0 HA LEU A 12 0.276 1.520 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.344 -1.456 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.130 -0.528 3.283 1.00 0.00 H new ATOM 0 HG LEU A 12 1.027 0.265 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.312 -0.863 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.311 -2.023 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.395 -1.519 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.852 1.420 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.962 0.864 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.647 1.996 1.827 1.00 0.00 H new ATOM 195 N GLY A 13 1.389 0.265 6.256 1.00 0.00 N ATOM 196 CA GLY A 13 1.271 0.166 7.696 1.00 0.00 C ATOM 197 C GLY A 13 0.590 -1.125 8.118 1.00 0.00 C ATOM 198 O GLY A 13 -0.091 -1.123 9.146 1.00 0.00 O ATOM 0 H GLY A 13 2.356 0.344 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.262 0.218 8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.704 1.017 8.074 1.00 0.00 H new ATOM 202 N VAL A 14 0.705 -2.191 7.324 1.00 0.00 N ATOM 203 CA VAL A 14 0.048 -3.463 7.557 1.00 0.00 C ATOM 204 C VAL A 14 1.138 -4.531 7.545 1.00 0.00 C ATOM 205 O VAL A 14 2.174 -4.383 6.899 1.00 0.00 O ATOM 206 CB VAL A 14 -1.089 -3.656 6.522 1.00 0.00 C ATOM 207 CG1 VAL A 14 -0.612 -3.939 5.092 1.00 0.00 C ATOM 208 CG2 VAL A 14 -2.055 -4.767 6.943 1.00 0.00 C ATOM 0 H VAL A 14 1.276 -2.185 6.479 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.453 -3.524 8.523 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.597 -2.692 6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.475 -4.060 4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.004 -3.106 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.018 -4.853 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.838 -4.872 6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.511 -5.707 7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.505 -4.514 7.903 1.00 0.00 H new ATOM 218 N LYS A 15 0.914 -5.630 8.264 1.00 0.00 N ATOM 219 CA LYS A 15 1.871 -6.727 8.273 1.00 0.00 C ATOM 220 C LYS A 15 1.928 -7.390 6.894 1.00 0.00 C ATOM 221 O LYS A 15 0.933 -7.359 6.166 1.00 0.00 O ATOM 222 CB LYS A 15 1.590 -7.705 9.423 1.00 0.00 C ATOM 223 CG LYS A 15 0.126 -8.013 9.767 1.00 0.00 C ATOM 224 CD LYS A 15 -0.666 -8.607 8.601 1.00 0.00 C ATOM 225 CE LYS A 15 -2.033 -9.167 9.007 1.00 0.00 C ATOM 226 NZ LYS A 15 -2.993 -8.113 9.384 1.00 0.00 N ATOM 0 H LYS A 15 0.086 -5.781 8.841 1.00 0.00 H new ATOM 0 HA LYS A 15 2.869 -6.334 8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.083 -8.648 9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.068 -7.311 10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.097 -8.708 10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.362 -7.096 10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.809 -7.838 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.079 -9.403 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.443 -9.747 8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.905 -9.853 9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.028 -8.030 10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.691 -7.206 8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.937 -8.359 9.024 1.00 0.00 H new ATOM 240 N PRO A 16 3.026 -8.081 6.549 1.00 0.00 N ATOM 241 CA PRO A 16 3.104 -8.809 5.291 1.00 0.00 C ATOM 242 C PRO A 16 2.080 -9.941 5.207 1.00 0.00 C ATOM 243 O PRO A 16 1.662 -10.311 4.115 1.00 0.00 O ATOM 244 CB PRO A 16 4.554 -9.287 5.175 1.00 0.00 C ATOM 245 CG PRO A 16 5.037 -9.328 6.625 1.00 0.00 C ATOM 246 CD PRO A 16 4.283 -8.171 7.277 1.00 0.00 C ATOM 0 HA PRO A 16 2.846 -8.172 4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.616 -10.268 4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.154 -8.605 4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.803 -10.280 7.101 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.117 -9.195 6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.112 -8.359 8.337 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.848 -7.242 7.205 1.00 0.00 H new ATOM 254 N ASN A 17 1.631 -10.478 6.343 1.00 0.00 N ATOM 255 CA ASN A 17 0.690 -11.590 6.418 1.00 0.00 C ATOM 256 C ASN A 17 -0.770 -11.130 6.271 1.00 0.00 C ATOM 257 O ASN A 17 -1.633 -11.583 7.016 1.00 0.00 O ATOM 258 CB ASN A 17 0.932 -12.354 7.733 1.00 0.00 C ATOM 259 CG ASN A 17 0.245 -13.709 7.710 1.00 0.00 C ATOM 260 OD1 ASN A 17 0.204 -14.373 6.680 1.00 0.00 O ATOM 261 ND2 ASN A 17 -0.221 -14.182 8.845 1.00 0.00 N ATOM 0 H ASN A 17 1.922 -10.140 7.260 1.00 0.00 H new ATOM 0 HA ASN A 17 0.865 -12.262 5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.003 -12.488 7.888 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.559 -11.767 8.573 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.626 -15.117 8.880 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.177 -13.613 9.691 1.00 0.00 H new ATOM 268 N ALA A 18 -1.046 -10.137 5.421 1.00 0.00 N ATOM 269 CA ALA A 18 -2.395 -9.631 5.155 1.00 0.00 C ATOM 270 C ALA A 18 -3.059 -10.398 4.002 1.00 0.00 C ATOM 271 O ALA A 18 -2.377 -10.880 3.093 1.00 0.00 O ATOM 272 CB ALA A 18 -2.293 -8.142 4.808 1.00 0.00 C ATOM 0 H ALA A 18 -0.323 -9.653 4.888 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.013 -9.772 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.288 -7.746 4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.851 -7.603 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.667 -8.016 3.925 1.00 0.00 H new ATOM 278 N THR A 19 -4.392 -10.466 3.994 1.00 0.00 N ATOM 279 CA THR A 19 -5.165 -10.898 2.832 1.00 0.00 C ATOM 280 C THR A 19 -5.230 -9.787 1.770 1.00 0.00 C ATOM 281 O THR A 19 -4.793 -8.651 1.987 1.00 0.00 O ATOM 282 CB THR A 19 -6.567 -11.343 3.294 1.00 0.00 C ATOM 283 OG1 THR A 19 -7.220 -10.349 3.996 1.00 0.00 O ATOM 284 CG2 THR A 19 -6.532 -12.655 4.080 1.00 0.00 C ATOM 0 H THR A 19 -4.967 -10.221 4.800 1.00 0.00 H new ATOM 0 HA THR A 19 -4.672 -11.748 2.360 1.00 0.00 H new ATOM 0 HB THR A 19 -7.143 -11.532 2.388 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.105 -10.669 4.270 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.544 -12.925 4.383 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.118 -13.444 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.909 -12.532 4.966 1.00 0.00 H new ATOM 292 N GLN A 20 -5.830 -10.093 0.615 1.00 0.00 N ATOM 293 CA GLN A 20 -6.211 -9.102 -0.393 1.00 0.00 C ATOM 294 C GLN A 20 -7.190 -8.086 0.204 1.00 0.00 C ATOM 295 O GLN A 20 -7.199 -6.909 -0.168 1.00 0.00 O ATOM 296 CB GLN A 20 -6.906 -9.804 -1.570 1.00 0.00 C ATOM 297 CG GLN A 20 -6.052 -10.892 -2.246 1.00 0.00 C ATOM 298 CD GLN A 20 -5.834 -10.580 -3.714 1.00 0.00 C ATOM 299 OE1 GLN A 20 -6.305 -11.284 -4.599 1.00 0.00 O ATOM 300 NE2 GLN A 20 -5.116 -9.512 -4.001 1.00 0.00 N ATOM 0 H GLN A 20 -6.067 -11.049 0.352 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.309 -8.592 -0.732 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.833 -10.254 -1.215 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.179 -9.057 -2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.089 -10.970 -1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.544 -11.860 -2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.732 -8.938 -3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.944 -9.259 -4.974 1.00 0.00 H new ATOM 309 N GLU A 21 -8.055 -8.556 1.103 1.00 0.00 N ATOM 310 CA GLU A 21 -9.185 -7.806 1.623 1.00 0.00 C ATOM 311 C GLU A 21 -8.723 -6.856 2.717 1.00 0.00 C ATOM 312 O GLU A 21 -9.116 -5.685 2.721 1.00 0.00 O ATOM 313 CB GLU A 21 -10.238 -8.757 2.198 1.00 0.00 C ATOM 314 CG GLU A 21 -10.508 -9.944 1.280 1.00 0.00 C ATOM 315 CD GLU A 21 -11.758 -10.687 1.714 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.683 -11.517 2.652 1.00 0.00 O ATOM 317 OE2 GLU A 21 -12.829 -10.415 1.119 1.00 0.00 O ATOM 0 H GLU A 21 -7.982 -9.494 1.496 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.623 -7.236 0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.904 -9.121 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.166 -8.210 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.624 -9.597 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.654 -10.621 1.293 1.00 0.00 H new ATOM 324 N GLU A 22 -7.867 -7.357 3.610 1.00 0.00 N ATOM 325 CA GLU A 22 -7.245 -6.596 4.679 1.00 0.00 C ATOM 326 C GLU A 22 -6.501 -5.407 4.091 1.00 0.00 C ATOM 327 O GLU A 22 -6.633 -4.294 4.601 1.00 0.00 O ATOM 328 CB GLU A 22 -6.271 -7.488 5.456 1.00 0.00 C ATOM 329 CG GLU A 22 -7.005 -8.437 6.402 1.00 0.00 C ATOM 330 CD GLU A 22 -6.014 -9.199 7.279 1.00 0.00 C ATOM 331 OE1 GLU A 22 -5.510 -8.612 8.267 1.00 0.00 O ATOM 332 OE2 GLU A 22 -5.711 -10.375 6.982 1.00 0.00 O ATOM 0 H GLU A 22 -7.583 -8.337 3.603 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.016 -6.237 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.669 -8.066 4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.583 -6.864 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.694 -7.872 7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.604 -9.142 5.825 1.00 0.00 H new ATOM 339 N LEU A 23 -5.775 -5.631 2.989 1.00 0.00 N ATOM 340 CA LEU A 23 -5.131 -4.575 2.224 1.00 0.00 C ATOM 341 C LEU A 23 -6.151 -3.528 1.805 1.00 0.00 C ATOM 342 O LEU A 23 -5.956 -2.364 2.139 1.00 0.00 O ATOM 343 CB LEU A 23 -4.412 -5.140 0.992 1.00 0.00 C ATOM 344 CG LEU A 23 -2.962 -5.562 1.276 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.515 -6.416 0.096 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.036 -4.348 1.405 1.00 0.00 C ATOM 0 H LEU A 23 -5.621 -6.563 2.605 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.384 -4.105 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.967 -6.000 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.417 -4.390 0.201 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.913 -6.107 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.486 -6.742 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.163 -7.288 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.575 -5.830 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.019 -4.686 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.052 -3.778 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.377 -3.716 2.225 1.00 0.00 H new ATOM 358 N LYS A 24 -7.237 -3.893 1.111 1.00 0.00 N ATOM 359 CA LYS A 24 -8.231 -2.909 0.671 1.00 0.00 C ATOM 360 C LYS A 24 -8.794 -2.117 1.856 1.00 0.00 C ATOM 361 O LYS A 24 -8.766 -0.887 1.832 1.00 0.00 O ATOM 362 CB LYS A 24 -9.316 -3.577 -0.189 1.00 0.00 C ATOM 363 CG LYS A 24 -10.311 -2.557 -0.774 1.00 0.00 C ATOM 364 CD LYS A 24 -11.067 -3.065 -2.014 1.00 0.00 C ATOM 365 CE LYS A 24 -11.822 -4.380 -1.776 1.00 0.00 C ATOM 366 NZ LYS A 24 -12.776 -4.680 -2.865 1.00 0.00 N ATOM 0 H LYS A 24 -7.448 -4.855 0.845 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.739 -2.176 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.843 -4.127 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.858 -4.304 0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.034 -2.287 -0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.771 -1.647 -1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.776 -2.302 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.358 -3.205 -2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.106 -5.197 -1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.360 -4.322 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.263 -5.576 -2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.476 -3.914 -2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.261 -4.761 -3.765 1.00 0.00 H new ATOM 380 N LYS A 25 -9.250 -2.775 2.925 1.00 0.00 N ATOM 381 CA LYS A 25 -9.772 -2.061 4.095 1.00 0.00 C ATOM 382 C LYS A 25 -8.700 -1.194 4.770 1.00 0.00 C ATOM 383 O LYS A 25 -9.057 -0.194 5.389 1.00 0.00 O ATOM 384 CB LYS A 25 -10.375 -3.030 5.118 1.00 0.00 C ATOM 385 CG LYS A 25 -11.625 -3.782 4.641 1.00 0.00 C ATOM 386 CD LYS A 25 -12.286 -4.414 5.868 1.00 0.00 C ATOM 387 CE LYS A 25 -13.365 -5.476 5.586 1.00 0.00 C ATOM 388 NZ LYS A 25 -14.616 -4.919 5.028 1.00 0.00 N ATOM 0 H LYS A 25 -9.269 -3.792 3.006 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.558 -1.402 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.615 -3.760 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.627 -2.472 6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.315 -3.100 4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.356 -4.549 3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.508 -4.870 6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.735 -3.619 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.964 -6.213 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.594 -6.003 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.296 -5.689 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.022 -4.236 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.411 -4.440 4.128 1.00 0.00 H new ATOM 402 N ALA A 26 -7.413 -1.547 4.709 1.00 0.00 N ATOM 403 CA ALA A 26 -6.321 -0.730 5.243 1.00 0.00 C ATOM 404 C ALA A 26 -6.059 0.469 4.324 1.00 0.00 C ATOM 405 O ALA A 26 -5.846 1.586 4.776 1.00 0.00 O ATOM 406 CB ALA A 26 -5.052 -1.576 5.404 1.00 0.00 C ATOM 0 H ALA A 26 -7.097 -2.418 4.283 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.610 -0.356 6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.249 -0.955 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.248 -2.399 6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.755 -1.975 4.434 1.00 0.00 H new ATOM 412 N TYR A 27 -6.098 0.238 3.018 1.00 0.00 N ATOM 413 CA TYR A 27 -5.809 1.217 1.985 1.00 0.00 C ATOM 414 C TYR A 27 -6.823 2.342 2.067 1.00 0.00 C ATOM 415 O TYR A 27 -6.438 3.498 2.194 1.00 0.00 O ATOM 416 CB TYR A 27 -5.831 0.567 0.594 1.00 0.00 C ATOM 417 CG TYR A 27 -5.714 1.587 -0.515 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.485 2.228 -0.742 1.00 0.00 C ATOM 419 CD2 TYR A 27 -6.847 1.953 -1.260 1.00 0.00 C ATOM 420 CE1 TYR A 27 -4.380 3.247 -1.707 1.00 0.00 C ATOM 421 CE2 TYR A 27 -6.746 2.955 -2.238 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.515 3.608 -2.464 1.00 0.00 C ATOM 423 OH TYR A 27 -5.415 4.577 -3.413 1.00 0.00 O ATOM 0 H TYR A 27 -6.342 -0.676 2.637 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.809 1.620 2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.012 -0.148 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.757 0.005 0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.615 1.937 -0.172 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.794 1.465 -1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.437 3.749 -1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.614 3.228 -2.820 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.286 4.704 -3.844 1.00 0.00 H new ATOM 433 N ARG A 28 -8.117 2.008 2.049 1.00 0.00 N ATOM 434 CA ARG A 28 -9.204 2.980 2.038 1.00 0.00 C ATOM 435 C ARG A 28 -9.062 3.993 3.175 1.00 0.00 C ATOM 436 O ARG A 28 -9.053 5.199 2.933 1.00 0.00 O ATOM 437 CB ARG A 28 -10.542 2.220 2.049 1.00 0.00 C ATOM 438 CG ARG A 28 -10.802 1.552 0.685 1.00 0.00 C ATOM 439 CD ARG A 28 -12.256 1.132 0.457 1.00 0.00 C ATOM 440 NE ARG A 28 -12.785 0.287 1.542 1.00 0.00 N ATOM 441 CZ ARG A 28 -13.766 -0.613 1.433 1.00 0.00 C ATOM 442 NH1 ARG A 28 -14.413 -0.789 0.290 1.00 0.00 N ATOM 443 NH2 ARG A 28 -14.074 -1.340 2.498 1.00 0.00 N ATOM 0 H ARG A 28 -8.439 1.040 2.042 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.166 3.578 1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.529 1.463 2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.354 2.908 2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.507 2.241 -0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.164 0.673 0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.876 2.024 0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.329 0.591 -0.487 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.362 0.400 2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.165 -0.232 -0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.159 -1.482 0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.566 -1.205 3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.819 -2.035 2.443 1.00 0.00 H new ATOM 457 N LYS A 29 -8.893 3.530 4.415 1.00 0.00 N ATOM 458 CA LYS A 29 -8.693 4.420 5.563 1.00 0.00 C ATOM 459 C LYS A 29 -7.414 5.255 5.458 1.00 0.00 C ATOM 460 O LYS A 29 -7.386 6.376 5.968 1.00 0.00 O ATOM 461 CB LYS A 29 -8.787 3.632 6.881 1.00 0.00 C ATOM 462 CG LYS A 29 -7.728 2.529 6.997 1.00 0.00 C ATOM 463 CD LYS A 29 -7.880 1.641 8.228 1.00 0.00 C ATOM 464 CE LYS A 29 -7.384 2.345 9.498 1.00 0.00 C ATOM 465 NZ LYS A 29 -7.716 1.575 10.713 1.00 0.00 N ATOM 0 H LYS A 29 -8.891 2.538 4.652 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.503 5.149 5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.679 4.321 7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.778 3.186 6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.772 1.904 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.740 2.990 7.015 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.927 1.364 8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.321 0.717 8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.305 2.485 9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.831 3.337 9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.366 2.081 11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.748 1.463 10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.269 0.637 10.663 1.00 0.00 H new ATOM 479 N LEU A 30 -6.355 4.760 4.815 1.00 0.00 N ATOM 480 CA LEU A 30 -5.101 5.499 4.691 1.00 0.00 C ATOM 481 C LEU A 30 -5.198 6.550 3.596 1.00 0.00 C ATOM 482 O LEU A 30 -4.828 7.699 3.817 1.00 0.00 O ATOM 483 CB LEU A 30 -3.932 4.541 4.451 1.00 0.00 C ATOM 484 CG LEU A 30 -3.588 3.712 5.703 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.623 2.588 5.334 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.948 4.578 6.786 1.00 0.00 C ATOM 0 H LEU A 30 -6.343 3.843 4.369 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.913 6.021 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.179 3.869 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.055 5.111 4.143 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.518 3.297 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.384 2.006 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.087 1.940 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.708 3.014 4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.718 3.962 7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.029 5.021 6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.640 5.370 7.075 1.00 0.00 H new ATOM 498 N ALA A 31 -5.724 6.190 2.430 1.00 0.00 N ATOM 499 CA ALA A 31 -5.959 7.106 1.327 1.00 0.00 C ATOM 500 C ALA A 31 -6.885 8.244 1.749 1.00 0.00 C ATOM 501 O ALA A 31 -6.642 9.387 1.387 1.00 0.00 O ATOM 502 CB ALA A 31 -6.559 6.310 0.165 1.00 0.00 C ATOM 0 H ALA A 31 -6.004 5.231 2.224 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.019 7.561 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.744 6.978 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.862 5.529 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.498 5.856 0.482 1.00 0.00 H new ATOM 508 N LEU A 32 -7.925 7.964 2.539 1.00 0.00 N ATOM 509 CA LEU A 32 -8.806 9.006 3.047 1.00 0.00 C ATOM 510 C LEU A 32 -8.140 9.858 4.130 1.00 0.00 C ATOM 511 O LEU A 32 -8.458 11.044 4.242 1.00 0.00 O ATOM 512 CB LEU A 32 -10.114 8.391 3.561 1.00 0.00 C ATOM 513 CG LEU A 32 -11.060 7.848 2.468 1.00 0.00 C ATOM 514 CD1 LEU A 32 -12.449 7.617 3.080 1.00 0.00 C ATOM 515 CD2 LEU A 32 -11.173 8.736 1.226 1.00 0.00 C ATOM 0 H LEU A 32 -8.174 7.021 2.838 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.030 9.676 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.870 7.578 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.648 9.145 4.140 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.623 6.914 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.124 7.233 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.373 6.894 3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.837 8.559 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.857 8.278 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.552 9.717 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.190 8.847 0.767 1.00 0.00 H new ATOM 527 N LYS A 33 -7.225 9.288 4.923 1.00 0.00 N ATOM 528 CA LYS A 33 -6.456 10.028 5.919 1.00 0.00 C ATOM 529 C LYS A 33 -5.549 11.033 5.222 1.00 0.00 C ATOM 530 O LYS A 33 -5.634 12.223 5.505 1.00 0.00 O ATOM 531 CB LYS A 33 -5.670 9.048 6.805 1.00 0.00 C ATOM 532 CG LYS A 33 -4.698 9.739 7.765 1.00 0.00 C ATOM 533 CD LYS A 33 -4.217 8.719 8.798 1.00 0.00 C ATOM 534 CE LYS A 33 -3.019 9.268 9.568 1.00 0.00 C ATOM 535 NZ LYS A 33 -2.749 8.496 10.795 1.00 0.00 N ATOM 0 H LYS A 33 -6.999 8.294 4.888 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.127 10.588 6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.373 8.448 7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.113 8.361 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.850 10.147 7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.189 10.576 8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.026 8.483 9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.943 7.789 8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.137 9.250 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.203 10.310 9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.928 8.902 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.580 8.534 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.548 7.507 10.545 1.00 0.00 H new ATOM 549 N TYR A 34 -4.697 10.560 4.314 1.00 0.00 N ATOM 550 CA TYR A 34 -3.723 11.382 3.613 1.00 0.00 C ATOM 551 C TYR A 34 -4.311 12.025 2.351 1.00 0.00 C ATOM 552 O TYR A 34 -3.544 12.474 1.499 1.00 0.00 O ATOM 553 CB TYR A 34 -2.452 10.560 3.333 1.00 0.00 C ATOM 554 CG TYR A 34 -1.843 9.926 4.572 1.00 0.00 C ATOM 555 CD1 TYR A 34 -1.259 10.733 5.564 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.878 8.530 4.754 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.674 10.152 6.702 1.00 0.00 C ATOM 558 CE2 TYR A 34 -1.283 7.946 5.876 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.680 8.751 6.863 1.00 0.00 C ATOM 560 OH TYR A 34 -0.131 8.195 7.977 1.00 0.00 O ATOM 0 H TYR A 34 -4.667 9.577 4.043 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.444 12.217 4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.690 9.775 2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.709 11.206 2.865 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.260 11.807 5.451 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.368 7.906 4.021 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.219 10.779 7.454 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.285 6.872 5.987 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.218 7.220 7.933 1.00 0.00 H new ATOM 570 N HIS A 35 -5.645 12.069 2.192 1.00 0.00 N ATOM 571 CA HIS A 35 -6.244 12.628 0.985 1.00 0.00 C ATOM 572 C HIS A 35 -5.815 14.101 0.921 1.00 0.00 C ATOM 573 O HIS A 35 -5.874 14.780 1.951 1.00 0.00 O ATOM 574 CB HIS A 35 -7.784 12.485 1.066 1.00 0.00 C ATOM 575 CG HIS A 35 -8.480 12.319 -0.267 1.00 0.00 C ATOM 576 ND1 HIS A 35 -9.276 13.247 -0.902 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.519 11.171 -1.016 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.745 12.684 -2.026 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.329 11.407 -2.137 1.00 0.00 N ATOM 0 H HIS A 35 -6.316 11.727 2.880 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.917 12.108 0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.022 11.626 1.693 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.190 13.365 1.564 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.014 10.245 -0.783 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.373 13.188 -2.746 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.556 10.748 -2.882 1.00 0.00 H new ATOM 587 N PRO A 36 -5.524 14.656 -0.265 1.00 0.00 N ATOM 588 CA PRO A 36 -4.911 15.980 -0.356 1.00 0.00 C ATOM 589 C PRO A 36 -5.868 17.058 0.151 1.00 0.00 C ATOM 590 O PRO A 36 -5.476 17.980 0.859 1.00 0.00 O ATOM 591 CB PRO A 36 -4.550 16.163 -1.834 1.00 0.00 C ATOM 592 CG PRO A 36 -5.392 15.125 -2.578 1.00 0.00 C ATOM 593 CD PRO A 36 -5.547 14.001 -1.560 1.00 0.00 C ATOM 0 HA PRO A 36 -4.023 16.069 0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.778 17.173 -2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.485 16.002 -2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.358 15.531 -2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.896 14.780 -3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.481 13.459 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.739 13.275 -1.649 1.00 0.00 H new ATOM 601 N ASP A 37 -7.148 16.868 -0.156 1.00 0.00 N ATOM 602 CA ASP A 37 -8.275 17.728 0.156 1.00 0.00 C ATOM 603 C ASP A 37 -8.282 18.162 1.630 1.00 0.00 C ATOM 604 O ASP A 37 -8.436 19.348 1.926 1.00 0.00 O ATOM 605 CB ASP A 37 -9.527 16.934 -0.231 1.00 0.00 C ATOM 606 CG ASP A 37 -10.817 17.744 -0.346 1.00 0.00 C ATOM 607 OD1 ASP A 37 -11.031 18.737 0.383 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.662 17.376 -1.193 1.00 0.00 O ATOM 0 H ASP A 37 -7.443 16.039 -0.672 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.224 18.664 -0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.342 16.443 -1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.679 16.147 0.508 1.00 0.00 H new ATOM 613 N LYS A 38 -8.061 17.226 2.561 1.00 0.00 N ATOM 614 CA LYS A 38 -8.105 17.458 4.011 1.00 0.00 C ATOM 615 C LYS A 38 -6.755 17.209 4.685 1.00 0.00 C ATOM 616 O LYS A 38 -6.673 17.317 5.914 1.00 0.00 O ATOM 617 CB LYS A 38 -9.220 16.597 4.644 1.00 0.00 C ATOM 618 CG LYS A 38 -10.634 17.118 4.344 1.00 0.00 C ATOM 619 CD LYS A 38 -11.056 18.282 5.245 1.00 0.00 C ATOM 620 CE LYS A 38 -12.466 18.801 4.955 1.00 0.00 C ATOM 621 NZ LYS A 38 -12.666 20.170 5.479 1.00 0.00 N ATOM 0 H LYS A 38 -7.841 16.260 2.321 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.334 18.511 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.132 15.574 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.074 16.563 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.682 17.438 3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.347 16.301 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.002 17.963 6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.345 19.100 5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.642 18.794 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.199 18.130 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.633 20.487 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.523 20.172 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.983 20.815 5.034 1.00 0.00 H new ATOM 635 N ASN A 39 -5.707 16.855 3.939 1.00 0.00 N ATOM 636 CA ASN A 39 -4.378 16.636 4.493 1.00 0.00 C ATOM 637 C ASN A 39 -3.283 17.071 3.513 1.00 0.00 C ATOM 638 O ASN A 39 -2.397 16.273 3.189 1.00 0.00 O ATOM 639 CB ASN A 39 -4.221 15.172 4.934 1.00 0.00 C ATOM 640 CG ASN A 39 -3.275 15.050 6.108 1.00 0.00 C ATOM 641 OD1 ASN A 39 -3.645 14.602 7.195 1.00 0.00 O ATOM 642 ND2 ASN A 39 -2.046 15.486 5.939 1.00 0.00 N ATOM 0 H ASN A 39 -5.761 16.713 2.930 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.262 17.262 5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.195 14.765 5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.848 14.577 4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.383 15.456 6.714 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.755 15.854 5.033 1.00 0.00 H new ATOM 649 N PRO A 40 -3.254 18.347 3.090 1.00 0.00 N ATOM 650 CA PRO A 40 -2.338 18.816 2.049 1.00 0.00 C ATOM 651 C PRO A 40 -0.868 18.671 2.455 1.00 0.00 C ATOM 652 O PRO A 40 0.015 18.592 1.606 1.00 0.00 O ATOM 653 CB PRO A 40 -2.708 20.283 1.804 1.00 0.00 C ATOM 654 CG PRO A 40 -3.383 20.719 3.108 1.00 0.00 C ATOM 655 CD PRO A 40 -4.066 19.441 3.600 1.00 0.00 C ATOM 0 HA PRO A 40 -2.440 18.216 1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.826 20.887 1.590 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.380 20.388 0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.657 21.090 3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.103 21.520 2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.118 19.417 4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.090 19.376 3.231 1.00 0.00 H new ATOM 663 N ASN A 41 -0.594 18.584 3.761 1.00 0.00 N ATOM 664 CA ASN A 41 0.733 18.335 4.321 1.00 0.00 C ATOM 665 C ASN A 41 1.337 16.999 3.872 1.00 0.00 C ATOM 666 O ASN A 41 2.552 16.812 3.948 1.00 0.00 O ATOM 667 CB ASN A 41 0.648 18.381 5.858 1.00 0.00 C ATOM 668 CG ASN A 41 1.884 19.035 6.442 1.00 0.00 C ATOM 669 OD1 ASN A 41 2.803 18.381 6.942 1.00 0.00 O ATOM 670 ND2 ASN A 41 1.901 20.357 6.363 1.00 0.00 N ATOM 0 H ASN A 41 -1.313 18.688 4.477 1.00 0.00 H new ATOM 0 HA ASN A 41 1.395 19.116 3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.241 18.934 6.162 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.544 17.370 6.252 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.699 20.879 6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.116 20.853 5.940 1.00 0.00 H new ATOM 677 N GLU A 42 0.506 16.054 3.420 1.00 0.00 N ATOM 678 CA GLU A 42 0.864 14.649 3.205 1.00 0.00 C ATOM 679 C GLU A 42 0.441 14.191 1.798 1.00 0.00 C ATOM 680 O GLU A 42 0.270 12.999 1.550 1.00 0.00 O ATOM 681 CB GLU A 42 0.314 13.805 4.380 1.00 0.00 C ATOM 682 CG GLU A 42 1.084 14.194 5.672 1.00 0.00 C ATOM 683 CD GLU A 42 0.665 13.511 6.970 1.00 0.00 C ATOM 684 OE1 GLU A 42 -0.456 13.786 7.451 1.00 0.00 O ATOM 685 OE2 GLU A 42 1.493 12.791 7.571 1.00 0.00 O ATOM 0 H GLU A 42 -0.467 16.253 3.186 1.00 0.00 H new ATOM 0 HA GLU A 42 1.945 14.506 3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.754 13.984 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.436 12.742 4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.142 13.988 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.987 15.271 5.811 1.00 0.00 H new ATOM 692 N GLY A 43 0.288 15.140 0.865 1.00 0.00 N ATOM 693 CA GLY A 43 -0.170 14.872 -0.488 1.00 0.00 C ATOM 694 C GLY A 43 0.824 14.060 -1.327 1.00 0.00 C ATOM 695 O GLY A 43 0.376 13.269 -2.165 1.00 0.00 O ATOM 0 H GLY A 43 0.484 16.126 1.040 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.117 14.334 -0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.366 15.820 -0.990 1.00 0.00 H new ATOM 699 N GLU A 44 2.142 14.187 -1.110 1.00 0.00 N ATOM 700 CA GLU A 44 3.116 13.291 -1.745 1.00 0.00 C ATOM 701 C GLU A 44 3.168 11.949 -1.012 1.00 0.00 C ATOM 702 O GLU A 44 3.430 10.933 -1.655 1.00 0.00 O ATOM 703 CB GLU A 44 4.521 13.921 -1.862 1.00 0.00 C ATOM 704 CG GLU A 44 4.725 14.612 -3.221 1.00 0.00 C ATOM 705 CD GLU A 44 6.176 15.043 -3.456 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.648 15.929 -2.707 1.00 0.00 O ATOM 707 OE2 GLU A 44 6.836 14.523 -4.388 1.00 0.00 O ATOM 0 H GLU A 44 2.554 14.896 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 44 2.774 13.119 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.662 14.646 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.278 13.148 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.419 13.934 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.077 15.486 -3.280 1.00 0.00 H new ATOM 714 N LYS A 45 2.820 11.885 0.283 1.00 0.00 N ATOM 715 CA LYS A 45 2.687 10.608 0.990 1.00 0.00 C ATOM 716 C LYS A 45 1.730 9.699 0.247 1.00 0.00 C ATOM 717 O LYS A 45 1.986 8.498 0.184 1.00 0.00 O ATOM 718 CB LYS A 45 2.168 10.764 2.430 1.00 0.00 C ATOM 719 CG LYS A 45 2.868 9.741 3.331 1.00 0.00 C ATOM 720 CD LYS A 45 2.272 9.699 4.740 1.00 0.00 C ATOM 721 CE LYS A 45 2.531 10.970 5.550 1.00 0.00 C ATOM 722 NZ LYS A 45 3.959 11.231 5.811 1.00 0.00 N ATOM 0 H LYS A 45 2.626 12.704 0.859 1.00 0.00 H new ATOM 0 HA LYS A 45 3.690 10.183 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.359 11.775 2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.089 10.614 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.794 8.752 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.929 9.984 3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.197 9.537 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.687 8.845 5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.107 11.821 5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.005 10.896 6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.051 12.037 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.393 10.389 6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.441 11.451 4.916 1.00 0.00 H new ATOM 736 N PHE A 46 0.653 10.263 -0.313 1.00 0.00 N ATOM 737 CA PHE A 46 -0.313 9.529 -1.113 1.00 0.00 C ATOM 738 C PHE A 46 0.393 8.690 -2.165 1.00 0.00 C ATOM 739 O PHE A 46 0.039 7.529 -2.357 1.00 0.00 O ATOM 740 CB PHE A 46 -1.310 10.463 -1.801 1.00 0.00 C ATOM 741 CG PHE A 46 -2.662 9.801 -2.013 1.00 0.00 C ATOM 742 CD1 PHE A 46 -2.797 8.677 -2.858 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.784 10.279 -1.316 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.033 8.024 -2.986 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.024 9.639 -1.462 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.147 8.509 -2.287 1.00 0.00 C ATOM 0 H PHE A 46 0.433 11.254 -0.217 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.863 8.880 -0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.438 11.363 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.906 10.778 -2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.942 8.317 -3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.692 11.138 -0.668 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.125 7.154 -3.619 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.889 10.017 -0.937 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.102 8.013 -2.383 1.00 0.00 H new ATOM 756 N LYS A 47 1.396 9.264 -2.828 1.00 0.00 N ATOM 757 CA LYS A 47 2.071 8.621 -3.943 1.00 0.00 C ATOM 758 C LYS A 47 2.587 7.236 -3.567 1.00 0.00 C ATOM 759 O LYS A 47 2.293 6.274 -4.282 1.00 0.00 O ATOM 760 CB LYS A 47 3.165 9.535 -4.528 1.00 0.00 C ATOM 761 CG LYS A 47 3.223 9.293 -6.037 1.00 0.00 C ATOM 762 CD LYS A 47 4.217 10.178 -6.786 1.00 0.00 C ATOM 763 CE LYS A 47 4.200 9.801 -8.275 1.00 0.00 C ATOM 764 NZ LYS A 47 2.890 10.029 -8.924 1.00 0.00 N ATOM 0 H LYS A 47 1.760 10.190 -2.603 1.00 0.00 H new ATOM 0 HA LYS A 47 1.341 8.462 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.941 10.581 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.130 9.317 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.481 8.249 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.229 9.451 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.954 11.228 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.219 10.049 -6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.962 10.380 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.471 8.750 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.002 9.985 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.218 9.297 -8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.527 10.966 -8.655 1.00 0.00 H new ATOM 778 N GLN A 48 3.233 7.117 -2.406 1.00 0.00 N ATOM 779 CA GLN A 48 3.678 5.847 -1.859 1.00 0.00 C ATOM 780 C GLN A 48 2.516 4.873 -1.654 1.00 0.00 C ATOM 781 O GLN A 48 2.703 3.677 -1.891 1.00 0.00 O ATOM 782 CB GLN A 48 4.383 6.087 -0.515 1.00 0.00 C ATOM 783 CG GLN A 48 5.851 6.517 -0.648 1.00 0.00 C ATOM 784 CD GLN A 48 6.739 5.567 0.147 1.00 0.00 C ATOM 785 OE1 GLN A 48 7.319 4.635 -0.407 1.00 0.00 O ATOM 786 NE2 GLN A 48 6.812 5.740 1.450 1.00 0.00 N ATOM 0 H GLN A 48 3.462 7.916 -1.815 1.00 0.00 H new ATOM 0 HA GLN A 48 4.367 5.400 -2.576 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.839 6.853 0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.335 5.173 0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.147 6.515 -1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.976 7.537 -0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.323 6.520 1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.358 5.094 2.020 1.00 0.00 H new ATOM 795 N ILE A 49 1.347 5.364 -1.228 1.00 0.00 N ATOM 796 CA ILE A 49 0.171 4.544 -0.942 1.00 0.00 C ATOM 797 C ILE A 49 -0.346 3.966 -2.261 1.00 0.00 C ATOM 798 O ILE A 49 -0.565 2.757 -2.335 1.00 0.00 O ATOM 799 CB ILE A 49 -0.960 5.323 -0.215 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.465 6.301 0.860 1.00 0.00 C ATOM 801 CG2 ILE A 49 -1.940 4.353 0.464 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.604 7.063 1.543 1.00 0.00 C ATOM 0 H ILE A 49 1.192 6.360 -1.071 1.00 0.00 H new ATOM 0 HA ILE A 49 0.474 3.751 -0.258 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.442 5.902 -1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.099 5.750 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.222 7.015 0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.723 4.920 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.388 3.703 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.405 3.747 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.192 7.738 2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.154 7.639 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.278 6.355 2.024 1.00 0.00 H new ATOM 814 N SER A 50 -0.541 4.799 -3.293 1.00 0.00 N ATOM 815 CA SER A 50 -0.986 4.371 -4.593 1.00 0.00 C ATOM 816 C SER A 50 0.000 3.364 -5.176 1.00 0.00 C ATOM 817 O SER A 50 -0.414 2.297 -5.615 1.00 0.00 O ATOM 818 CB SER A 50 -1.171 5.599 -5.489 1.00 0.00 C ATOM 819 OG SER A 50 -0.253 6.664 -5.283 1.00 0.00 O ATOM 0 H SER A 50 -0.386 5.805 -3.229 1.00 0.00 H new ATOM 0 HA SER A 50 -1.949 3.865 -4.519 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.099 5.280 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.181 5.982 -5.342 1.00 0.00 H new ATOM 0 HG SER A 50 0.597 6.304 -4.953 1.00 0.00 H new ATOM 825 N GLN A 51 1.302 3.672 -5.144 1.00 0.00 N ATOM 826 CA GLN A 51 2.322 2.804 -5.706 1.00 0.00 C ATOM 827 C GLN A 51 2.298 1.436 -5.027 1.00 0.00 C ATOM 828 O GLN A 51 2.363 0.410 -5.705 1.00 0.00 O ATOM 829 CB GLN A 51 3.691 3.495 -5.603 1.00 0.00 C ATOM 830 CG GLN A 51 4.835 2.643 -6.177 1.00 0.00 C ATOM 831 CD GLN A 51 5.715 3.428 -7.143 1.00 0.00 C ATOM 832 OE1 GLN A 51 6.812 3.850 -6.791 1.00 0.00 O ATOM 833 NE2 GLN A 51 5.277 3.598 -8.377 1.00 0.00 N ATOM 0 H GLN A 51 1.668 4.528 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 51 2.119 2.626 -6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.653 4.447 -6.132 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.901 3.720 -4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.447 2.263 -5.359 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.417 1.778 -6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.362 3.239 -8.647 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.854 4.089 -9.060 1.00 0.00 H new ATOM 842 N ALA A 52 2.191 1.425 -3.697 1.00 0.00 N ATOM 843 CA ALA A 52 2.139 0.205 -2.921 1.00 0.00 C ATOM 844 C ALA A 52 0.904 -0.617 -3.272 1.00 0.00 C ATOM 845 O ALA A 52 1.016 -1.802 -3.599 1.00 0.00 O ATOM 846 CB ALA A 52 2.188 0.551 -1.424 1.00 0.00 C ATOM 0 H ALA A 52 2.138 2.273 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 52 3.005 -0.412 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.149 -0.367 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.113 1.084 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.337 1.182 -1.168 1.00 0.00 H new ATOM 852 N TYR A 53 -0.276 -0.001 -3.204 1.00 0.00 N ATOM 853 CA TYR A 53 -1.512 -0.705 -3.476 1.00 0.00 C ATOM 854 C TYR A 53 -1.591 -1.128 -4.949 1.00 0.00 C ATOM 855 O TYR A 53 -2.334 -2.051 -5.248 1.00 0.00 O ATOM 856 CB TYR A 53 -2.713 0.158 -3.060 1.00 0.00 C ATOM 857 CG TYR A 53 -4.023 -0.612 -3.035 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.336 -1.442 -1.939 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.897 -0.558 -4.136 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.513 -2.213 -1.944 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.070 -1.335 -4.150 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.386 -2.165 -3.054 1.00 0.00 C ATOM 863 OH TYR A 53 -7.515 -2.922 -3.098 1.00 0.00 O ATOM 0 H TYR A 53 -0.394 0.983 -2.963 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.536 -1.619 -2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.526 0.577 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.805 0.997 -3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.669 -1.486 -1.091 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.667 0.083 -4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.749 -2.842 -1.099 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.731 -1.296 -5.003 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.989 -2.754 -3.939 1.00 0.00 H new ATOM 873 N GLU A 54 -0.855 -0.510 -5.878 1.00 0.00 N ATOM 874 CA GLU A 54 -0.964 -0.770 -7.319 1.00 0.00 C ATOM 875 C GLU A 54 -0.373 -2.137 -7.673 1.00 0.00 C ATOM 876 O GLU A 54 -1.012 -2.929 -8.363 1.00 0.00 O ATOM 877 CB GLU A 54 -0.284 0.362 -8.110 1.00 0.00 C ATOM 878 CG GLU A 54 -0.157 0.100 -9.620 1.00 0.00 C ATOM 879 CD GLU A 54 -1.488 -0.132 -10.342 1.00 0.00 C ATOM 880 OE1 GLU A 54 -2.528 0.464 -9.979 1.00 0.00 O ATOM 881 OE2 GLU A 54 -1.481 -0.861 -11.359 1.00 0.00 O ATOM 0 H GLU A 54 -0.156 0.196 -5.648 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.018 -0.793 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.849 1.282 -7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.711 0.528 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.348 0.949 -10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.480 -0.771 -9.772 1.00 0.00 H new ATOM 888 N VAL A 55 0.839 -2.443 -7.204 1.00 0.00 N ATOM 889 CA VAL A 55 1.445 -3.760 -7.422 1.00 0.00 C ATOM 890 C VAL A 55 0.573 -4.828 -6.754 1.00 0.00 C ATOM 891 O VAL A 55 0.375 -5.911 -7.305 1.00 0.00 O ATOM 892 CB VAL A 55 2.897 -3.750 -6.901 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.575 -5.118 -7.041 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.729 -2.722 -7.682 1.00 0.00 C ATOM 0 H VAL A 55 1.421 -1.797 -6.671 1.00 0.00 H new ATOM 0 HA VAL A 55 1.493 -3.999 -8.484 1.00 0.00 H new ATOM 0 HB VAL A 55 2.849 -3.491 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.595 -5.059 -6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.017 -5.861 -6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.596 -5.408 -8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.753 -2.722 -7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.730 -2.983 -8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.296 -1.730 -7.554 1.00 0.00 H new ATOM 904 N LEU A 56 0.009 -4.503 -5.588 1.00 0.00 N ATOM 905 CA LEU A 56 -0.834 -5.411 -4.833 1.00 0.00 C ATOM 906 C LEU A 56 -2.246 -5.522 -5.414 1.00 0.00 C ATOM 907 O LEU A 56 -2.954 -6.462 -5.053 1.00 0.00 O ATOM 908 CB LEU A 56 -0.891 -4.936 -3.370 1.00 0.00 C ATOM 909 CG LEU A 56 0.472 -4.993 -2.648 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.391 -4.339 -1.267 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.948 -6.436 -2.480 1.00 0.00 C ATOM 0 H LEU A 56 0.130 -3.593 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.397 -6.408 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.264 -3.912 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.607 -5.551 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 56 1.183 -4.447 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.365 -4.393 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.097 -3.295 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.347 -4.862 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.910 -6.444 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.219 -6.993 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.054 -6.901 -3.460 1.00 0.00 H new ATOM 923 N SER A 57 -2.684 -4.593 -6.267 1.00 0.00 N ATOM 924 CA SER A 57 -4.055 -4.502 -6.748 1.00 0.00 C ATOM 925 C SER A 57 -4.383 -5.690 -7.633 1.00 0.00 C ATOM 926 O SER A 57 -5.355 -6.394 -7.351 1.00 0.00 O ATOM 927 CB SER A 57 -4.276 -3.204 -7.529 1.00 0.00 C ATOM 928 OG SER A 57 -4.531 -2.123 -6.670 1.00 0.00 O ATOM 0 H SER A 57 -2.076 -3.868 -6.649 1.00 0.00 H new ATOM 0 HA SER A 57 -4.715 -4.505 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.396 -2.989 -8.135 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.113 -3.330 -8.216 1.00 0.00 H new ATOM 0 HG SER A 57 -3.991 -2.216 -5.858 1.00 0.00 H new ATOM 934 N ASP A 58 -3.601 -5.887 -8.694 1.00 0.00 N ATOM 935 CA ASP A 58 -3.876 -6.904 -9.697 1.00 0.00 C ATOM 936 C ASP A 58 -3.392 -8.257 -9.207 1.00 0.00 C ATOM 937 O ASP A 58 -2.379 -8.321 -8.509 1.00 0.00 O ATOM 938 CB ASP A 58 -3.117 -6.601 -10.985 1.00 0.00 C ATOM 939 CG ASP A 58 -3.590 -7.521 -12.109 1.00 0.00 C ATOM 940 OD1 ASP A 58 -4.795 -7.871 -12.152 1.00 0.00 O ATOM 941 OD2 ASP A 58 -2.721 -7.990 -12.875 1.00 0.00 O ATOM 0 H ASP A 58 -2.758 -5.343 -8.879 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.951 -6.911 -9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.271 -5.560 -11.269 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.047 -6.733 -10.824 1.00 0.00 H new ATOM 946 N ALA A 59 -4.067 -9.346 -9.567 1.00 0.00 N ATOM 947 CA ALA A 59 -3.642 -10.670 -9.142 1.00 0.00 C ATOM 948 C ALA A 59 -2.373 -11.104 -9.879 1.00 0.00 C ATOM 949 O ALA A 59 -1.481 -11.678 -9.253 1.00 0.00 O ATOM 950 CB ALA A 59 -4.773 -11.673 -9.358 1.00 0.00 C ATOM 0 H ALA A 59 -4.905 -9.335 -10.148 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.405 -10.635 -8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.448 -12.663 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.643 -11.371 -8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.036 -11.702 -10.415 1.00 0.00 H new ATOM 956 N LYS A 60 -2.248 -10.829 -11.184 1.00 0.00 N ATOM 957 CA LYS A 60 -1.070 -11.192 -11.952 1.00 0.00 C ATOM 958 C LYS A 60 0.134 -10.341 -11.555 1.00 0.00 C ATOM 959 O LYS A 60 1.241 -10.880 -11.563 1.00 0.00 O ATOM 960 CB LYS A 60 -1.368 -11.081 -13.456 1.00 0.00 C ATOM 961 CG LYS A 60 -1.724 -12.420 -14.122 1.00 0.00 C ATOM 962 CD LYS A 60 -3.181 -12.844 -13.915 1.00 0.00 C ATOM 963 CE LYS A 60 -3.456 -14.177 -14.620 1.00 0.00 C ATOM 964 NZ LYS A 60 -4.818 -14.672 -14.335 1.00 0.00 N ATOM 0 H LYS A 60 -2.965 -10.349 -11.728 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.815 -12.228 -11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.193 -10.383 -13.602 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.499 -10.657 -13.958 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.525 -12.348 -15.191 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.069 -13.197 -13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.391 -12.939 -12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.849 -12.075 -14.304 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.331 -14.053 -15.696 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.724 -14.918 -14.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.969 -15.575 -14.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.929 -14.814 -13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.517 -13.976 -14.666 1.00 0.00 H new ATOM 978 N LYS A 61 -0.031 -9.060 -11.196 1.00 0.00 N ATOM 979 CA LYS A 61 1.074 -8.320 -10.572 1.00 0.00 C ATOM 980 C LYS A 61 1.382 -8.906 -9.206 1.00 0.00 C ATOM 981 O LYS A 61 2.542 -9.226 -8.944 1.00 0.00 O ATOM 982 CB LYS A 61 0.831 -6.808 -10.471 1.00 0.00 C ATOM 983 CG LYS A 61 0.787 -6.156 -11.863 1.00 0.00 C ATOM 984 CD LYS A 61 1.560 -4.830 -11.923 1.00 0.00 C ATOM 985 CE LYS A 61 0.774 -3.669 -11.301 1.00 0.00 C ATOM 986 NZ LYS A 61 -0.104 -3.019 -12.294 1.00 0.00 N ATOM 0 H LYS A 61 -0.892 -8.528 -11.322 1.00 0.00 H new ATOM 0 HA LYS A 61 1.935 -8.436 -11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.108 -6.622 -9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.621 -6.349 -9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.202 -6.847 -12.596 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.251 -5.979 -12.144 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.511 -4.942 -11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.792 -4.594 -12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.174 -4.038 -10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.469 -2.935 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.695 -2.306 -11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.478 -2.558 -13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.714 -3.734 -12.739 1.00 0.00 H new ATOM 1000 N ARG A 62 0.370 -9.074 -8.344 1.00 0.00 N ATOM 1001 CA ARG A 62 0.651 -9.605 -7.007 1.00 0.00 C ATOM 1002 C ARG A 62 1.361 -10.964 -7.054 1.00 0.00 C ATOM 1003 O ARG A 62 2.215 -11.173 -6.207 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.565 -9.596 -6.065 1.00 0.00 C ATOM 1005 CG ARG A 62 -0.152 -10.088 -4.661 1.00 0.00 C ATOM 1006 CD ARG A 62 -1.069 -9.665 -3.510 1.00 0.00 C ATOM 1007 NE ARG A 62 -0.878 -10.565 -2.362 1.00 0.00 N ATOM 1008 CZ ARG A 62 -1.507 -10.546 -1.185 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -2.407 -9.609 -0.900 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -1.229 -11.484 -0.288 1.00 0.00 N ATOM 0 H ARG A 62 -0.609 -8.860 -8.537 1.00 0.00 H new ATOM 0 HA ARG A 62 1.355 -8.903 -6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.977 -8.589 -5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.351 -10.236 -6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.101 -11.177 -4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.854 -9.725 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.851 -8.638 -3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.109 -9.690 -3.834 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.176 -11.296 -2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.627 -8.888 -1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.877 -9.612 0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.542 -12.207 -0.502 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.702 -11.482 0.616 1.00 0.00 H new ATOM 1024 N GLU A 63 1.092 -11.847 -8.020 1.00 0.00 N ATOM 1025 CA GLU A 63 1.816 -13.115 -8.172 1.00 0.00 C ATOM 1026 C GLU A 63 3.327 -12.885 -8.265 1.00 0.00 C ATOM 1027 O GLU A 63 4.110 -13.499 -7.538 1.00 0.00 O ATOM 1028 CB GLU A 63 1.351 -13.849 -9.442 1.00 0.00 C ATOM 1029 CG GLU A 63 0.045 -14.634 -9.286 1.00 0.00 C ATOM 1030 CD GLU A 63 0.256 -16.142 -9.422 1.00 0.00 C ATOM 1031 OE1 GLU A 63 0.465 -16.616 -10.568 1.00 0.00 O ATOM 1032 OE2 GLU A 63 0.069 -16.879 -8.421 1.00 0.00 O ATOM 0 H GLU A 63 0.365 -11.704 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 63 1.600 -13.720 -7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.227 -13.119 -10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.137 -14.536 -9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.393 -14.417 -8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.670 -14.300 -10.038 1.00 0.00 H new ATOM 1039 N LEU A 64 3.737 -12.009 -9.183 1.00 0.00 N ATOM 1040 CA LEU A 64 5.142 -11.749 -9.486 1.00 0.00 C ATOM 1041 C LEU A 64 5.808 -11.058 -8.314 1.00 0.00 C ATOM 1042 O LEU A 64 6.986 -11.277 -8.068 1.00 0.00 O ATOM 1043 CB LEU A 64 5.253 -10.872 -10.743 1.00 0.00 C ATOM 1044 CG LEU A 64 5.188 -11.641 -12.077 1.00 0.00 C ATOM 1045 CD1 LEU A 64 4.230 -12.834 -12.074 1.00 0.00 C ATOM 1046 CD2 LEU A 64 4.757 -10.676 -13.181 1.00 0.00 C ATOM 0 H LEU A 64 3.092 -11.453 -9.744 1.00 0.00 H new ATOM 0 HA LEU A 64 5.645 -12.698 -9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.451 -10.134 -10.726 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.193 -10.322 -10.703 1.00 0.00 H new ATOM 0 HG LEU A 64 6.186 -12.045 -12.244 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.247 -13.317 -13.051 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.540 -13.548 -11.311 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.219 -12.488 -11.858 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.707 -11.209 -14.131 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.776 -10.266 -12.943 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.480 -9.864 -13.258 1.00 0.00 H new ATOM 1058 N TYR A 65 5.068 -10.217 -7.605 1.00 0.00 N ATOM 1059 CA TYR A 65 5.461 -9.583 -6.365 1.00 0.00 C ATOM 1060 C TYR A 65 5.665 -10.604 -5.242 1.00 0.00 C ATOM 1061 O TYR A 65 6.685 -10.552 -4.560 1.00 0.00 O ATOM 1062 CB TYR A 65 4.404 -8.538 -6.043 1.00 0.00 C ATOM 1063 CG TYR A 65 4.492 -7.990 -4.649 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.411 -6.970 -4.351 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.684 -8.544 -3.644 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.499 -6.481 -3.042 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.768 -8.059 -2.334 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.677 -7.018 -2.026 1.00 0.00 C ATOM 1069 OH TYR A 65 4.751 -6.513 -0.768 1.00 0.00 O ATOM 0 H TYR A 65 4.129 -9.948 -7.899 1.00 0.00 H new ATOM 0 HA TYR A 65 6.431 -9.097 -6.468 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.494 -7.715 -6.752 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.417 -8.978 -6.188 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.045 -6.566 -5.126 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.998 -9.344 -3.881 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.197 -5.691 -2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.141 -8.477 -1.560 1.00 0.00 H new ATOM 0 HH TYR A 65 4.196 -7.051 -0.166 1.00 0.00 H new ATOM 1079 N ASP A 66 4.739 -11.549 -5.062 1.00 0.00 N ATOM 1080 CA ASP A 66 4.667 -12.460 -3.915 1.00 0.00 C ATOM 1081 C ASP A 66 5.920 -13.321 -3.762 1.00 0.00 C ATOM 1082 O ASP A 66 6.250 -13.774 -2.659 1.00 0.00 O ATOM 1083 CB ASP A 66 3.452 -13.381 -4.083 1.00 0.00 C ATOM 1084 CG ASP A 66 3.068 -14.067 -2.775 1.00 0.00 C ATOM 1085 OD1 ASP A 66 2.782 -13.357 -1.785 1.00 0.00 O ATOM 1086 OD2 ASP A 66 3.055 -15.315 -2.730 1.00 0.00 O ATOM 0 H ASP A 66 3.990 -11.707 -5.736 1.00 0.00 H new ATOM 0 HA ASP A 66 4.580 -11.846 -3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.605 -12.801 -4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.672 -14.136 -4.837 1.00 0.00 H new ATOM 1091 N LYS A 67 6.634 -13.509 -4.874 1.00 0.00 N ATOM 1092 CA LYS A 67 7.939 -14.165 -4.950 1.00 0.00 C ATOM 1093 C LYS A 67 8.957 -13.393 -5.806 1.00 0.00 C ATOM 1094 O LYS A 67 9.828 -14.021 -6.417 1.00 0.00 O ATOM 1095 CB LYS A 67 7.767 -15.627 -5.386 1.00 0.00 C ATOM 1096 CG LYS A 67 7.215 -15.753 -6.815 1.00 0.00 C ATOM 1097 CD LYS A 67 7.968 -16.841 -7.589 1.00 0.00 C ATOM 1098 CE LYS A 67 7.588 -16.845 -9.073 1.00 0.00 C ATOM 1099 NZ LYS A 67 8.623 -17.548 -9.856 1.00 0.00 N ATOM 0 H LYS A 67 6.303 -13.194 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 67 8.373 -14.163 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.729 -16.137 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.094 -16.133 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.152 -15.993 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.310 -14.799 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.042 -16.682 -7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.748 -17.816 -7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.623 -17.333 -9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.481 -15.822 -9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.358 -17.547 -10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.536 -17.064 -9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.705 -18.529 -9.521 1.00 0.00 H new ATOM 1113 N GLY A 68 8.856 -12.068 -5.928 1.00 0.00 N ATOM 1114 CA GLY A 68 9.712 -11.316 -6.846 1.00 0.00 C ATOM 1115 C GLY A 68 9.627 -9.811 -6.633 1.00 0.00 C ATOM 1116 O GLY A 68 10.396 -9.267 -5.843 1.00 0.00 O ATOM 0 H GLY A 68 8.193 -11.496 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.745 -11.639 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.430 -11.550 -7.873 1.00 0.00 H new ATOM 1120 N GLY A 69 8.714 -9.135 -7.337 1.00 0.00 N ATOM 1121 CA GLY A 69 8.503 -7.689 -7.206 1.00 0.00 C ATOM 1122 C GLY A 69 9.362 -6.845 -8.151 1.00 0.00 C ATOM 1123 O GLY A 69 9.241 -5.617 -8.161 1.00 0.00 O ATOM 0 H GLY A 69 8.097 -9.578 -8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.452 -7.468 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.714 -7.393 -6.178 1.00 0.00 H new ATOM 1127 N GLU A 70 10.201 -7.475 -8.972 1.00 0.00 N ATOM 1128 CA GLU A 70 10.986 -6.826 -10.021 1.00 0.00 C ATOM 1129 C GLU A 70 10.888 -7.653 -11.314 1.00 0.00 C ATOM 1130 O GLU A 70 11.854 -7.832 -12.055 1.00 0.00 O ATOM 1131 CB GLU A 70 12.422 -6.635 -9.514 1.00 0.00 C ATOM 1132 CG GLU A 70 13.145 -5.505 -10.253 1.00 0.00 C ATOM 1133 CD GLU A 70 14.583 -5.869 -10.612 1.00 0.00 C ATOM 1134 OE1 GLU A 70 15.311 -6.453 -9.773 1.00 0.00 O ATOM 1135 OE2 GLU A 70 14.967 -5.667 -11.786 1.00 0.00 O ATOM 0 H GLU A 70 10.358 -8.482 -8.924 1.00 0.00 H new ATOM 0 HA GLU A 70 10.599 -5.836 -10.260 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.404 -6.417 -8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.978 -7.564 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.597 -5.261 -11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.144 -4.610 -9.631 1.00 0.00 H new ATOM 1142 N GLN A 71 9.699 -8.205 -11.565 1.00 0.00 N ATOM 1143 CA GLN A 71 9.316 -8.902 -12.782 1.00 0.00 C ATOM 1144 C GLN A 71 7.967 -8.353 -13.220 1.00 0.00 C ATOM 1145 O GLN A 71 7.365 -7.545 -12.473 1.00 0.00 O ATOM 1146 CB GLN A 71 9.247 -10.425 -12.559 1.00 0.00 C ATOM 1147 CG GLN A 71 10.591 -11.080 -12.185 1.00 0.00 C ATOM 1148 CD GLN A 71 11.689 -10.915 -13.240 1.00 0.00 C ATOM 1149 OE1 GLN A 71 11.427 -10.705 -14.424 1.00 0.00 O ATOM 1150 NE2 GLN A 71 12.952 -11.018 -12.860 1.00 0.00 N ATOM 0 H GLN A 71 8.940 -8.173 -10.884 1.00 0.00 H new ATOM 0 HA GLN A 71 10.063 -8.736 -13.558 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.525 -10.631 -11.769 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.869 -10.895 -13.467 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.940 -10.654 -11.245 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.427 -12.144 -12.011 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.177 -11.192 -11.881 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.700 -10.923 -13.546 1.00 0.00 H new TER 1159 GLN A 71