USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 12 ASN : amide:sc= -1.12 K(o=-3.2,f=-8.3!) USER MOD Set 1.2: A 16 ASN : amide:sc= -2.11 K(o=-3.2,f=-6.2!) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.0211 (180deg=-0.261) USER MOD Single : A 9 HIS : no HD1:sc= -4.02 K(o=-4,f=-8.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 165:sc=-0.00587 (180deg=-0.277) USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= -3.18 (180deg=-3.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.5) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -2.1! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -0:sc= -4.25 USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00529) USER MOD Single : A 51 ASN : amide:sc= -12.7! C(o=-13!,f=-22!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -152:sc= -0.181 (180deg=-1.19!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0666 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.235 USER MOD Single : A 58 ASN : amide:sc= -0.277 K(o=-0.28,f=-2.8!) USER MOD Single : A 62 SER OG : rot -120:sc= -3.79! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 129:sc= -0.155 (180deg=-0.818) USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00821) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -6.884 9.192 -1.575 1.00 0.00 N ATOM 21 CA ASP A 2 -6.227 10.440 -1.216 1.00 0.00 C ATOM 22 C ASP A 2 -4.741 10.370 -1.528 1.00 0.00 C ATOM 23 O ASP A 2 -3.971 9.739 -0.803 1.00 0.00 O ATOM 24 CB ASP A 2 -6.437 10.746 0.269 1.00 0.00 C ATOM 25 CG ASP A 2 -7.511 11.790 0.498 1.00 0.00 C ATOM 26 OD1 ASP A 2 -8.652 11.582 0.032 1.00 0.00 O ATOM 27 OD2 ASP A 2 -7.212 12.817 1.144 1.00 0.00 O ATOM 0 HA ASP A 2 -6.670 11.242 -1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.709 9.829 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.499 11.093 0.702 1.00 0.00 H new ATOM 32 N SER A 3 -4.342 11.023 -2.611 1.00 0.00 N ATOM 33 CA SER A 3 -2.947 11.036 -3.020 1.00 0.00 C ATOM 34 C SER A 3 -2.053 11.480 -1.868 1.00 0.00 C ATOM 35 O SER A 3 -0.928 11.004 -1.723 1.00 0.00 O ATOM 36 CB SER A 3 -2.756 11.961 -4.218 1.00 0.00 C ATOM 37 OG SER A 3 -3.809 11.809 -5.154 1.00 0.00 O ATOM 0 H SER A 3 -4.966 11.550 -3.221 1.00 0.00 H new ATOM 0 HA SER A 3 -2.664 10.023 -3.307 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.714 12.996 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.803 11.744 -4.700 1.00 0.00 H new ATOM 0 HG SER A 3 -3.664 12.414 -5.911 1.00 0.00 H new ATOM 43 N LYS A 4 -2.567 12.389 -1.046 1.00 0.00 N ATOM 44 CA LYS A 4 -1.820 12.884 0.102 1.00 0.00 C ATOM 45 C LYS A 4 -1.614 11.777 1.128 1.00 0.00 C ATOM 46 O LYS A 4 -0.501 11.552 1.598 1.00 0.00 O ATOM 47 CB LYS A 4 -2.555 14.062 0.747 1.00 0.00 C ATOM 48 CG LYS A 4 -2.373 15.375 0.003 1.00 0.00 C ATOM 49 CD LYS A 4 -3.700 16.089 -0.202 1.00 0.00 C ATOM 50 CE LYS A 4 -4.338 16.472 1.124 1.00 0.00 C ATOM 51 NZ LYS A 4 -3.466 17.379 1.919 1.00 0.00 N ATOM 0 H LYS A 4 -3.496 12.796 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.844 13.222 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.619 13.830 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.202 14.183 1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.694 16.020 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.908 15.185 -0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.543 16.984 -0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.379 15.444 -0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.295 16.959 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.545 15.571 1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.014 17.790 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.664 16.840 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.109 18.141 1.308 1.00 0.00 H new ATOM 65 N GLU A 5 -2.693 11.073 1.456 1.00 0.00 N ATOM 66 CA GLU A 5 -2.634 9.986 2.423 1.00 0.00 C ATOM 67 C GLU A 5 -1.719 8.872 1.921 1.00 0.00 C ATOM 68 O GLU A 5 -0.955 8.282 2.687 1.00 0.00 O ATOM 69 CB GLU A 5 -4.058 9.473 2.705 1.00 0.00 C ATOM 70 CG GLU A 5 -4.519 8.293 1.858 1.00 0.00 C ATOM 71 CD GLU A 5 -4.169 6.961 2.485 1.00 0.00 C ATOM 72 OE1 GLU A 5 -4.432 6.786 3.694 1.00 0.00 O ATOM 73 OE2 GLU A 5 -3.643 6.088 1.765 1.00 0.00 O ATOM 0 H GLU A 5 -3.620 11.238 1.064 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.211 10.352 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.120 9.188 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.756 10.297 2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.598 8.352 1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.062 8.358 0.870 1.00 0.00 H new ATOM 80 N VAL A 6 -1.786 8.619 0.623 1.00 0.00 N ATOM 81 CA VAL A 6 -0.967 7.586 -0.004 1.00 0.00 C ATOM 82 C VAL A 6 0.501 8.006 -0.075 1.00 0.00 C ATOM 83 O VAL A 6 1.382 7.271 0.364 1.00 0.00 O ATOM 84 CB VAL A 6 -1.482 7.251 -1.419 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.564 6.256 -2.124 1.00 0.00 C ATOM 86 CG2 VAL A 6 -2.901 6.717 -1.335 1.00 0.00 C ATOM 0 H VAL A 6 -2.401 9.116 -0.021 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.043 6.694 0.618 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.483 8.165 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.955 6.041 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.435 6.682 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.516 5.333 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.261 6.482 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.915 5.815 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.547 7.471 -0.885 1.00 0.00 H new ATOM 96 N LEU A 7 0.772 9.179 -0.638 1.00 0.00 N ATOM 97 CA LEU A 7 2.148 9.653 -0.735 1.00 0.00 C ATOM 98 C LEU A 7 2.782 9.702 0.649 1.00 0.00 C ATOM 99 O LEU A 7 3.945 9.343 0.822 1.00 0.00 O ATOM 100 CB LEU A 7 2.213 11.024 -1.406 1.00 0.00 C ATOM 101 CG LEU A 7 3.305 11.177 -2.473 1.00 0.00 C ATOM 102 CD1 LEU A 7 3.325 9.977 -3.415 1.00 0.00 C ATOM 103 CD2 LEU A 7 3.107 12.465 -3.258 1.00 0.00 C ATOM 0 H LEU A 7 0.071 9.809 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 7 2.709 8.954 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.247 11.232 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.370 11.780 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 7 4.268 11.223 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.108 10.113 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.521 9.069 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.360 9.890 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.891 12.557 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.134 12.446 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.155 13.316 -2.579 1.00 0.00 H new ATOM 115 N VAL A 8 2.001 10.110 1.642 1.00 0.00 N ATOM 116 CA VAL A 8 2.480 10.105 3.018 1.00 0.00 C ATOM 117 C VAL A 8 2.882 8.683 3.388 1.00 0.00 C ATOM 118 O VAL A 8 3.982 8.433 3.893 1.00 0.00 O ATOM 119 CB VAL A 8 1.403 10.612 4.000 1.00 0.00 C ATOM 120 CG1 VAL A 8 1.863 10.456 5.443 1.00 0.00 C ATOM 121 CG2 VAL A 8 1.053 12.060 3.702 1.00 0.00 C ATOM 0 H VAL A 8 1.045 10.445 1.523 1.00 0.00 H new ATOM 0 HA VAL A 8 3.334 10.778 3.091 1.00 0.00 H new ATOM 0 HB VAL A 8 0.508 10.005 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.085 10.821 6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.058 9.404 5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.776 11.031 5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.292 12.402 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.945 12.678 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.671 12.140 2.684 1.00 0.00 H new ATOM 131 N HIS A 9 2.001 7.745 3.077 1.00 0.00 N ATOM 132 CA HIS A 9 2.282 6.342 3.305 1.00 0.00 C ATOM 133 C HIS A 9 3.572 5.962 2.598 1.00 0.00 C ATOM 134 O HIS A 9 4.348 5.144 3.092 1.00 0.00 O ATOM 135 CB HIS A 9 1.126 5.482 2.803 1.00 0.00 C ATOM 136 CG HIS A 9 -0.133 5.679 3.582 1.00 0.00 C ATOM 137 ND1 HIS A 9 -0.151 6.142 4.881 1.00 0.00 N ATOM 138 CD2 HIS A 9 -1.423 5.479 3.237 1.00 0.00 C ATOM 139 CE1 HIS A 9 -1.401 6.216 5.302 1.00 0.00 C ATOM 140 NE2 HIS A 9 -2.191 5.818 4.323 1.00 0.00 N ATOM 0 H HIS A 9 1.086 7.933 2.666 1.00 0.00 H new ATOM 0 HA HIS A 9 2.397 6.168 4.375 1.00 0.00 H new ATOM 0 HB2 HIS A 9 0.937 5.714 1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.415 4.432 2.850 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.783 5.119 2.284 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.721 6.546 6.279 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.209 5.770 4.366 1.00 0.00 H new ATOM 149 N VAL A 10 3.805 6.582 1.443 1.00 0.00 N ATOM 150 CA VAL A 10 5.026 6.338 0.695 1.00 0.00 C ATOM 151 C VAL A 10 6.231 6.832 1.479 1.00 0.00 C ATOM 152 O VAL A 10 7.313 6.274 1.365 1.00 0.00 O ATOM 153 CB VAL A 10 5.025 7.001 -0.695 1.00 0.00 C ATOM 154 CG1 VAL A 10 6.306 6.649 -1.438 1.00 0.00 C ATOM 155 CG2 VAL A 10 3.802 6.583 -1.493 1.00 0.00 C ATOM 0 H VAL A 10 3.167 7.251 1.011 1.00 0.00 H new ATOM 0 HA VAL A 10 5.083 5.260 0.545 1.00 0.00 H new ATOM 0 HB VAL A 10 4.982 8.083 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.298 7.121 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.166 7.006 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.373 5.567 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.824 7.064 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.804 5.501 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.900 6.884 -0.961 1.00 0.00 H new ATOM 165 N LYS A 11 6.052 7.902 2.252 1.00 0.00 N ATOM 166 CA LYS A 11 7.138 8.411 3.083 1.00 0.00 C ATOM 167 C LYS A 11 7.618 7.303 4.006 1.00 0.00 C ATOM 168 O LYS A 11 8.818 7.055 4.135 1.00 0.00 O ATOM 169 CB LYS A 11 6.688 9.621 3.902 1.00 0.00 C ATOM 170 CG LYS A 11 6.313 10.823 3.052 1.00 0.00 C ATOM 171 CD LYS A 11 6.229 12.091 3.888 1.00 0.00 C ATOM 172 CE LYS A 11 5.987 13.315 3.020 1.00 0.00 C ATOM 173 NZ LYS A 11 4.557 13.445 2.629 1.00 0.00 N ATOM 0 H LYS A 11 5.179 8.425 2.319 1.00 0.00 H new ATOM 0 HA LYS A 11 7.954 8.734 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.832 9.337 4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.488 9.905 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.051 10.955 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.354 10.642 2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.424 11.995 4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.154 12.219 4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.299 14.210 3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.604 13.252 2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.434 14.292 2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.266 12.603 2.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.970 13.531 3.483 1.00 0.00 H new ATOM 187 N ASN A 12 6.664 6.604 4.609 1.00 0.00 N ATOM 188 CA ASN A 12 6.987 5.452 5.443 1.00 0.00 C ATOM 189 C ASN A 12 7.636 4.385 4.578 1.00 0.00 C ATOM 190 O ASN A 12 8.704 3.859 4.896 1.00 0.00 O ATOM 191 CB ASN A 12 5.722 4.890 6.097 1.00 0.00 C ATOM 192 CG ASN A 12 6.032 3.976 7.265 1.00 0.00 C ATOM 193 OD1 ASN A 12 6.698 2.952 7.109 1.00 0.00 O ATOM 194 ND2 ASN A 12 5.546 4.340 8.447 1.00 0.00 N ATOM 0 H ASN A 12 5.668 6.812 4.537 1.00 0.00 H new ATOM 0 HA ASN A 12 7.673 5.761 6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.097 5.714 6.440 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.145 4.341 5.353 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.720 3.763 9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.999 5.197 8.532 1.00 0.00 H new ATOM 201 N LEU A 13 6.987 4.108 3.457 1.00 0.00 N ATOM 202 CA LEU A 13 7.489 3.167 2.471 1.00 0.00 C ATOM 203 C LEU A 13 8.934 3.527 2.106 1.00 0.00 C ATOM 204 O LEU A 13 9.787 2.652 1.954 1.00 0.00 O ATOM 205 CB LEU A 13 6.561 3.231 1.245 1.00 0.00 C ATOM 206 CG LEU A 13 6.717 2.140 0.175 1.00 0.00 C ATOM 207 CD1 LEU A 13 6.152 2.614 -1.152 1.00 0.00 C ATOM 208 CD2 LEU A 13 8.155 1.765 -0.006 1.00 0.00 C ATOM 0 H LEU A 13 6.094 4.532 3.206 1.00 0.00 H new ATOM 0 HA LEU A 13 7.496 2.150 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.531 3.206 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.708 4.197 0.763 1.00 0.00 H new ATOM 0 HG LEU A 13 6.164 1.264 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.271 1.829 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.094 2.846 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.686 3.507 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.236 0.991 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.723 2.642 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.554 1.389 0.936 1.00 0.00 H new ATOM 220 N GLU A 14 9.193 4.825 1.999 1.00 0.00 N ATOM 221 CA GLU A 14 10.511 5.345 1.652 1.00 0.00 C ATOM 222 C GLU A 14 11.566 4.904 2.656 1.00 0.00 C ATOM 223 O GLU A 14 12.667 4.504 2.277 1.00 0.00 O ATOM 224 CB GLU A 14 10.452 6.871 1.583 1.00 0.00 C ATOM 225 CG GLU A 14 10.380 7.409 0.165 1.00 0.00 C ATOM 226 CD GLU A 14 11.660 7.180 -0.614 1.00 0.00 C ATOM 227 OE1 GLU A 14 12.736 7.122 0.018 1.00 0.00 O ATOM 228 OE2 GLU A 14 11.587 7.057 -1.854 1.00 0.00 O ATOM 0 H GLU A 14 8.492 5.550 2.151 1.00 0.00 H new ATOM 0 HA GLU A 14 10.795 4.943 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.582 7.219 2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.332 7.284 2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.551 6.932 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.165 8.477 0.197 1.00 0.00 H new ATOM 235 N LYS A 15 11.231 4.977 3.934 1.00 0.00 N ATOM 236 CA LYS A 15 12.157 4.581 4.984 1.00 0.00 C ATOM 237 C LYS A 15 12.459 3.087 4.903 1.00 0.00 C ATOM 238 O LYS A 15 13.594 2.656 5.106 1.00 0.00 O ATOM 239 CB LYS A 15 11.570 4.922 6.354 1.00 0.00 C ATOM 240 CG LYS A 15 12.230 6.120 7.017 1.00 0.00 C ATOM 241 CD LYS A 15 11.355 6.701 8.116 1.00 0.00 C ATOM 242 CE LYS A 15 12.135 7.661 9.000 1.00 0.00 C ATOM 243 NZ LYS A 15 13.006 8.567 8.202 1.00 0.00 N ATOM 0 H LYS A 15 10.326 5.306 4.270 1.00 0.00 H new ATOM 0 HA LYS A 15 13.089 5.129 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.504 5.120 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.668 4.056 7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.191 5.822 7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.432 6.886 6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.507 7.222 7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.949 5.893 8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.440 8.255 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.747 7.093 9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.321 9.359 8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.835 8.040 7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.472 8.936 7.390 1.00 0.00 H new ATOM 257 N ASN A 16 11.430 2.310 4.595 1.00 0.00 N ATOM 258 CA ASN A 16 11.551 0.860 4.483 1.00 0.00 C ATOM 259 C ASN A 16 12.053 0.437 3.100 1.00 0.00 C ATOM 260 O ASN A 16 12.483 -0.700 2.907 1.00 0.00 O ATOM 261 CB ASN A 16 10.193 0.209 4.746 1.00 0.00 C ATOM 262 CG ASN A 16 9.755 0.345 6.190 1.00 0.00 C ATOM 263 OD1 ASN A 16 10.278 -0.330 7.077 1.00 0.00 O ATOM 264 ND2 ASN A 16 8.789 1.224 6.435 1.00 0.00 N ATOM 0 H ASN A 16 10.490 2.664 4.416 1.00 0.00 H new ATOM 0 HA ASN A 16 12.279 0.530 5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.444 0.664 4.098 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.243 -0.848 4.483 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.453 1.360 7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.383 1.763 5.670 1.00 0.00 H new ATOM 271 N LYS A 17 11.943 1.343 2.135 1.00 0.00 N ATOM 272 CA LYS A 17 12.268 1.053 0.745 1.00 0.00 C ATOM 273 C LYS A 17 13.578 0.309 0.546 1.00 0.00 C ATOM 274 O LYS A 17 14.579 0.904 0.148 1.00 0.00 O ATOM 275 CB LYS A 17 12.335 2.342 -0.069 1.00 0.00 C ATOM 276 CG LYS A 17 11.019 2.742 -0.696 1.00 0.00 C ATOM 277 CD LYS A 17 11.219 3.530 -1.980 1.00 0.00 C ATOM 278 CE LYS A 17 10.226 4.675 -2.096 1.00 0.00 C ATOM 279 NZ LYS A 17 8.868 4.195 -2.471 1.00 0.00 N ATOM 0 H LYS A 17 11.626 2.299 2.295 1.00 0.00 H new ATOM 0 HA LYS A 17 11.464 0.401 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.679 3.150 0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.080 2.224 -0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.431 1.849 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.447 3.341 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.235 3.924 -2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.109 2.865 -2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.174 5.208 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.578 5.387 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.280 5.004 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.943 3.527 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.431 3.718 -1.657 1.00 0.00 H new ATOM 293 N SER A 18 13.523 -1.008 0.633 1.00 0.00 N ATOM 294 CA SER A 18 14.645 -1.827 0.225 1.00 0.00 C ATOM 295 C SER A 18 14.733 -1.726 -1.294 1.00 0.00 C ATOM 296 O SER A 18 15.813 -1.618 -1.875 1.00 0.00 O ATOM 297 CB SER A 18 14.451 -3.283 0.651 1.00 0.00 C ATOM 298 OG SER A 18 15.508 -3.715 1.490 1.00 0.00 O ATOM 0 H SER A 18 12.718 -1.529 0.981 1.00 0.00 H new ATOM 0 HA SER A 18 15.563 -1.479 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.501 -3.388 1.175 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.400 -3.920 -0.232 1.00 0.00 H new ATOM 0 HG SER A 18 15.359 -4.648 1.750 1.00 0.00 H new ATOM 304 N ASN A 19 13.549 -1.668 -1.909 1.00 0.00 N ATOM 305 CA ASN A 19 13.397 -1.445 -3.338 1.00 0.00 C ATOM 306 C ASN A 19 12.894 -0.026 -3.547 1.00 0.00 C ATOM 307 O ASN A 19 11.885 0.352 -2.968 1.00 0.00 O ATOM 308 CB ASN A 19 12.383 -2.432 -3.917 1.00 0.00 C ATOM 309 CG ASN A 19 12.974 -3.305 -5.004 1.00 0.00 C ATOM 310 OD1 ASN A 19 12.614 -3.189 -6.175 1.00 0.00 O ATOM 311 ND2 ASN A 19 13.887 -4.189 -4.618 1.00 0.00 N ATOM 0 H ASN A 19 12.662 -1.777 -1.417 1.00 0.00 H new ATOM 0 HA ASN A 19 14.354 -1.590 -3.840 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.000 -3.065 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.534 -1.880 -4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.320 -4.807 -5.304 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.155 -4.250 -3.636 1.00 0.00 H new ATOM 318 N ASP A 20 13.666 0.812 -4.212 1.00 0.00 N ATOM 319 CA ASP A 20 13.257 2.197 -4.379 1.00 0.00 C ATOM 320 C ASP A 20 12.133 2.383 -5.404 1.00 0.00 C ATOM 321 O ASP A 20 11.050 2.876 -5.080 1.00 0.00 O ATOM 322 CB ASP A 20 14.457 3.053 -4.786 1.00 0.00 C ATOM 323 CG ASP A 20 15.619 2.922 -3.820 1.00 0.00 C ATOM 324 OD1 ASP A 20 15.383 2.985 -2.595 1.00 0.00 O ATOM 325 OD2 ASP A 20 16.765 2.757 -4.288 1.00 0.00 O ATOM 0 H ASP A 20 14.560 0.568 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 20 12.865 2.517 -3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.784 2.763 -5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.151 4.098 -4.842 1.00 0.00 H new ATOM 330 N ALA A 21 12.420 2.020 -6.649 1.00 0.00 N ATOM 331 CA ALA A 21 11.513 2.280 -7.767 1.00 0.00 C ATOM 332 C ALA A 21 10.242 1.428 -7.785 1.00 0.00 C ATOM 333 O ALA A 21 9.152 1.957 -8.006 1.00 0.00 O ATOM 334 CB ALA A 21 12.264 2.130 -9.076 1.00 0.00 C ATOM 0 H ALA A 21 13.281 1.541 -6.913 1.00 0.00 H new ATOM 0 HA ALA A 21 11.163 3.303 -7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.587 2.324 -9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.089 2.842 -9.106 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.656 1.116 -9.156 1.00 0.00 H new ATOM 340 N ALA A 22 10.370 0.114 -7.624 1.00 0.00 N ATOM 341 CA ALA A 22 9.210 -0.767 -7.755 1.00 0.00 C ATOM 342 C ALA A 22 8.068 -0.321 -6.858 1.00 0.00 C ATOM 343 O ALA A 22 7.012 0.074 -7.338 1.00 0.00 O ATOM 344 CB ALA A 22 9.594 -2.204 -7.440 1.00 0.00 C ATOM 0 H ALA A 22 11.247 -0.359 -7.407 1.00 0.00 H new ATOM 0 HA ALA A 22 8.868 -0.710 -8.788 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.719 -2.845 -7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.369 -2.534 -8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.971 -2.265 -6.419 1.00 0.00 H new ATOM 350 N VAL A 23 8.320 -0.278 -5.572 1.00 0.00 N ATOM 351 CA VAL A 23 7.320 0.163 -4.617 1.00 0.00 C ATOM 352 C VAL A 23 6.949 1.614 -4.867 1.00 0.00 C ATOM 353 O VAL A 23 5.790 2.001 -4.744 1.00 0.00 O ATOM 354 CB VAL A 23 7.846 0.005 -3.189 1.00 0.00 C ATOM 355 CG1 VAL A 23 7.820 -1.459 -2.796 1.00 0.00 C ATOM 356 CG2 VAL A 23 9.257 0.556 -3.104 1.00 0.00 C ATOM 0 H VAL A 23 9.213 -0.544 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 23 6.431 -0.455 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 23 7.211 0.562 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.195 -1.569 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.797 -1.832 -2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.449 -2.030 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.631 0.443 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.903 0.009 -3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.252 1.612 -3.374 1.00 0.00 H new ATOM 366 N LEU A 24 7.940 2.407 -5.249 1.00 0.00 N ATOM 367 CA LEU A 24 7.721 3.813 -5.546 1.00 0.00 C ATOM 368 C LEU A 24 6.704 3.974 -6.669 1.00 0.00 C ATOM 369 O LEU A 24 5.718 4.696 -6.531 1.00 0.00 O ATOM 370 CB LEU A 24 9.043 4.461 -5.955 1.00 0.00 C ATOM 371 CG LEU A 24 8.915 5.840 -6.609 1.00 0.00 C ATOM 372 CD1 LEU A 24 9.609 6.889 -5.764 1.00 0.00 C ATOM 373 CD2 LEU A 24 9.482 5.820 -8.020 1.00 0.00 C ATOM 0 H LEU A 24 8.906 2.098 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 24 7.332 4.301 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.674 4.552 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.558 3.794 -6.647 1.00 0.00 H new ATOM 0 HG LEU A 24 7.857 6.096 -6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.510 7.864 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.152 6.921 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.665 6.638 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.381 6.809 -8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.536 5.543 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.936 5.093 -8.621 1.00 0.00 H new ATOM 385 N GLU A 25 6.965 3.305 -7.786 1.00 0.00 N ATOM 386 CA GLU A 25 6.081 3.373 -8.939 1.00 0.00 C ATOM 387 C GLU A 25 4.835 2.538 -8.702 1.00 0.00 C ATOM 388 O GLU A 25 3.744 2.886 -9.153 1.00 0.00 O ATOM 389 CB GLU A 25 6.808 2.889 -10.192 1.00 0.00 C ATOM 390 CG GLU A 25 6.917 3.950 -11.273 1.00 0.00 C ATOM 391 CD GLU A 25 8.193 3.830 -12.082 1.00 0.00 C ATOM 392 OE1 GLU A 25 9.271 4.161 -11.544 1.00 0.00 O ATOM 393 OE2 GLU A 25 8.116 3.405 -13.254 1.00 0.00 O ATOM 0 H GLU A 25 7.783 2.709 -7.916 1.00 0.00 H new ATOM 0 HA GLU A 25 5.782 4.411 -9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.809 2.557 -9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.284 2.022 -10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.059 3.872 -11.941 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.874 4.937 -10.813 1.00 0.00 H new ATOM 400 N ILE A 26 5.007 1.436 -7.987 1.00 0.00 N ATOM 401 CA ILE A 26 3.891 0.562 -7.662 1.00 0.00 C ATOM 402 C ILE A 26 2.872 1.314 -6.821 1.00 0.00 C ATOM 403 O ILE A 26 1.675 1.270 -7.100 1.00 0.00 O ATOM 404 CB ILE A 26 4.367 -0.727 -6.931 1.00 0.00 C ATOM 405 CG1 ILE A 26 4.987 -1.702 -7.935 1.00 0.00 C ATOM 406 CG2 ILE A 26 3.228 -1.421 -6.185 1.00 0.00 C ATOM 407 CD1 ILE A 26 5.601 -2.920 -7.284 1.00 0.00 C ATOM 0 H ILE A 26 5.908 1.127 -7.622 1.00 0.00 H new ATOM 0 HA ILE A 26 3.421 0.250 -8.595 1.00 0.00 H new ATOM 0 HB ILE A 26 5.112 -0.424 -6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.220 -2.023 -8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.752 -1.182 -8.511 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.608 -2.315 -5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.815 -0.742 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.448 -1.702 -6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.022 -3.569 -8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.390 -2.608 -6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.834 -3.462 -6.731 1.00 0.00 H new ATOM 419 N LEU A 27 3.343 2.012 -5.796 1.00 0.00 N ATOM 420 CA LEU A 27 2.433 2.734 -4.926 1.00 0.00 C ATOM 421 C LEU A 27 1.855 3.961 -5.624 1.00 0.00 C ATOM 422 O LEU A 27 0.667 4.257 -5.494 1.00 0.00 O ATOM 423 CB LEU A 27 3.107 3.152 -3.613 1.00 0.00 C ATOM 424 CG LEU A 27 2.451 2.607 -2.334 1.00 0.00 C ATOM 425 CD1 LEU A 27 2.836 3.448 -1.131 1.00 0.00 C ATOM 426 CD2 LEU A 27 0.935 2.564 -2.460 1.00 0.00 C ATOM 0 H LEU A 27 4.330 2.092 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 27 1.620 2.049 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.146 2.823 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.118 4.241 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 27 2.816 1.590 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.360 3.044 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.919 3.430 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.506 4.475 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.504 2.174 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.556 3.570 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.657 1.917 -3.292 1.00 0.00 H new ATOM 438 N HIS A 28 2.701 4.681 -6.350 1.00 0.00 N ATOM 439 CA HIS A 28 2.269 5.885 -7.049 1.00 0.00 C ATOM 440 C HIS A 28 1.068 5.596 -7.941 1.00 0.00 C ATOM 441 O HIS A 28 0.022 6.233 -7.817 1.00 0.00 O ATOM 442 CB HIS A 28 3.417 6.441 -7.894 1.00 0.00 C ATOM 443 CG HIS A 28 3.413 7.934 -7.998 1.00 0.00 C ATOM 444 ND1 HIS A 28 2.510 8.635 -8.768 1.00 0.00 N ATOM 445 CD2 HIS A 28 4.210 8.865 -7.418 1.00 0.00 C ATOM 446 CE1 HIS A 28 2.750 9.930 -8.661 1.00 0.00 C ATOM 447 NE2 HIS A 28 3.777 10.094 -7.847 1.00 0.00 N ATOM 0 H HIS A 28 3.688 4.453 -6.470 1.00 0.00 H new ATOM 0 HA HIS A 28 1.976 6.624 -6.303 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.365 6.117 -7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.360 6.015 -8.896 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.032 8.675 -6.744 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.201 10.718 -9.154 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.183 10.991 -7.580 1.00 0.00 H new ATOM 456 N VAL A 29 1.219 4.627 -8.839 1.00 0.00 N ATOM 457 CA VAL A 29 0.135 4.242 -9.734 1.00 0.00 C ATOM 458 C VAL A 29 -0.963 3.535 -8.956 1.00 0.00 C ATOM 459 O VAL A 29 -2.150 3.693 -9.243 1.00 0.00 O ATOM 460 CB VAL A 29 0.633 3.315 -10.855 1.00 0.00 C ATOM 461 CG1 VAL A 29 1.174 2.024 -10.265 1.00 0.00 C ATOM 462 CG2 VAL A 29 -0.478 3.034 -11.855 1.00 0.00 C ATOM 0 H VAL A 29 2.080 4.095 -8.965 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.257 5.154 -10.184 1.00 0.00 H new ATOM 0 HB VAL A 29 1.442 3.815 -11.388 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.524 1.375 -11.068 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.003 2.250 -9.594 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.384 1.519 -9.709 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.104 2.376 -12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.313 2.553 -11.346 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.815 3.971 -12.298 1.00 0.00 H new ATOM 472 N LEU A 30 -0.553 2.779 -7.945 1.00 0.00 N ATOM 473 CA LEU A 30 -1.491 2.076 -7.079 1.00 0.00 C ATOM 474 C LEU A 30 -2.578 3.025 -6.596 1.00 0.00 C ATOM 475 O LEU A 30 -3.722 2.624 -6.407 1.00 0.00 O ATOM 476 CB LEU A 30 -0.761 1.477 -5.881 1.00 0.00 C ATOM 477 CG LEU A 30 -0.398 -0.005 -6.008 1.00 0.00 C ATOM 478 CD1 LEU A 30 0.639 -0.394 -4.961 1.00 0.00 C ATOM 479 CD2 LEU A 30 -1.643 -0.869 -5.877 1.00 0.00 C ATOM 0 H LEU A 30 0.428 2.637 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.951 1.271 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.154 2.045 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.383 1.607 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 30 0.034 -0.172 -6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.884 -1.451 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.540 0.204 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.236 -0.213 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.368 -1.920 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.103 -0.699 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.351 -0.609 -6.664 1.00 0.00 H new ATOM 491 N ASP A 31 -2.216 4.301 -6.466 1.00 0.00 N ATOM 492 CA ASP A 31 -3.143 5.322 -5.987 1.00 0.00 C ATOM 493 C ASP A 31 -4.461 5.247 -6.744 1.00 0.00 C ATOM 494 O ASP A 31 -5.513 5.608 -6.217 1.00 0.00 O ATOM 495 CB ASP A 31 -2.527 6.703 -6.177 1.00 0.00 C ATOM 496 CG ASP A 31 -2.838 7.643 -5.028 1.00 0.00 C ATOM 497 OD1 ASP A 31 -4.005 8.068 -4.908 1.00 0.00 O ATOM 498 OD2 ASP A 31 -1.911 7.956 -4.251 1.00 0.00 O ATOM 0 H ASP A 31 -1.284 4.652 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.336 5.147 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.446 6.604 -6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.896 7.137 -7.107 1.00 0.00 H new ATOM 503 N LYS A 32 -4.401 4.744 -7.969 1.00 0.00 N ATOM 504 CA LYS A 32 -5.595 4.572 -8.780 1.00 0.00 C ATOM 505 C LYS A 32 -6.524 3.554 -8.123 1.00 0.00 C ATOM 506 O LYS A 32 -7.656 3.872 -7.762 1.00 0.00 O ATOM 507 CB LYS A 32 -5.191 4.120 -10.190 1.00 0.00 C ATOM 508 CG LYS A 32 -6.325 3.551 -11.034 1.00 0.00 C ATOM 509 CD LYS A 32 -5.826 2.437 -11.935 1.00 0.00 C ATOM 510 CE LYS A 32 -5.932 1.087 -11.248 1.00 0.00 C ATOM 511 NZ LYS A 32 -6.203 -0.013 -12.214 1.00 0.00 N ATOM 0 H LYS A 32 -3.537 4.448 -8.422 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.130 5.519 -8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.757 4.970 -10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.409 3.366 -10.103 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.113 3.172 -10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.766 4.343 -11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.406 2.425 -12.858 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.789 2.627 -12.212 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.005 0.879 -10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.728 1.121 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.268 -0.916 -11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.100 0.171 -12.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.431 -0.063 -12.909 1.00 0.00 H new ATOM 525 N GLU A 33 -6.031 2.330 -7.970 1.00 0.00 N ATOM 526 CA GLU A 33 -6.796 1.265 -7.331 1.00 0.00 C ATOM 527 C GLU A 33 -6.281 1.000 -5.918 1.00 0.00 C ATOM 528 O GLU A 33 -6.251 -0.142 -5.466 1.00 0.00 O ATOM 529 CB GLU A 33 -6.710 -0.013 -8.161 1.00 0.00 C ATOM 530 CG GLU A 33 -8.055 -0.505 -8.679 1.00 0.00 C ATOM 531 CD GLU A 33 -8.904 0.604 -9.273 1.00 0.00 C ATOM 532 OE1 GLU A 33 -9.604 1.295 -8.503 1.00 0.00 O ATOM 533 OE2 GLU A 33 -8.886 0.767 -10.511 1.00 0.00 O ATOM 0 H GLU A 33 -5.101 2.050 -8.281 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.837 1.583 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.047 0.160 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.256 -0.798 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.888 -1.272 -9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.602 -0.976 -7.862 1.00 0.00 H new ATOM 540 N PHE A 34 -5.863 2.058 -5.231 1.00 0.00 N ATOM 541 CA PHE A 34 -5.275 1.919 -3.907 1.00 0.00 C ATOM 542 C PHE A 34 -6.320 1.700 -2.815 1.00 0.00 C ATOM 543 O PHE A 34 -7.525 1.836 -3.030 1.00 0.00 O ATOM 544 CB PHE A 34 -4.390 3.114 -3.556 1.00 0.00 C ATOM 545 CG PHE A 34 -3.324 2.761 -2.551 1.00 0.00 C ATOM 546 CD1 PHE A 34 -2.602 1.584 -2.678 1.00 0.00 C ATOM 547 CD2 PHE A 34 -3.102 3.556 -1.440 1.00 0.00 C ATOM 548 CE1 PHE A 34 -1.658 1.229 -1.735 1.00 0.00 C ATOM 549 CE2 PHE A 34 -2.165 3.202 -0.490 1.00 0.00 C ATOM 550 CZ PHE A 34 -1.442 2.037 -0.637 1.00 0.00 C ATOM 0 H PHE A 34 -5.921 3.018 -5.570 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.654 1.024 -3.950 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.920 3.494 -4.463 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.010 3.918 -3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.780 0.937 -3.524 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.670 4.466 -1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.089 0.319 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.998 3.837 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.709 1.758 0.105 1.00 0.00 H new ATOM 560 N VAL A 35 -5.807 1.356 -1.639 1.00 0.00 N ATOM 561 CA VAL A 35 -6.595 0.989 -0.471 1.00 0.00 C ATOM 562 C VAL A 35 -7.151 2.140 0.411 1.00 0.00 C ATOM 563 O VAL A 35 -7.685 1.854 1.477 1.00 0.00 O ATOM 564 CB VAL A 35 -5.695 0.115 0.425 1.00 0.00 C ATOM 565 CG1 VAL A 35 -4.520 0.928 0.940 1.00 0.00 C ATOM 566 CG2 VAL A 35 -6.464 -0.516 1.565 1.00 0.00 C ATOM 0 H VAL A 35 -4.802 1.324 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.481 0.497 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.315 -0.704 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.892 0.300 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.935 1.296 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.889 1.773 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.788 -1.122 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.902 0.266 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.257 -1.147 1.164 1.00 0.00 H new ATOM 576 N PRO A 36 -7.039 3.442 0.055 1.00 0.00 N ATOM 577 CA PRO A 36 -7.528 4.515 0.923 1.00 0.00 C ATOM 578 C PRO A 36 -8.954 4.971 0.639 1.00 0.00 C ATOM 579 O PRO A 36 -9.159 6.018 0.025 1.00 0.00 O ATOM 580 CB PRO A 36 -6.565 5.645 0.607 1.00 0.00 C ATOM 581 CG PRO A 36 -6.208 5.456 -0.829 1.00 0.00 C ATOM 582 CD PRO A 36 -6.402 3.993 -1.145 1.00 0.00 C ATOM 0 HA PRO A 36 -7.562 4.188 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.029 6.617 0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.681 5.600 1.243 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.838 6.075 -1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.176 5.756 -1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.029 3.857 -2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.451 3.502 -1.351 1.00 0.00 H new ATOM 590 N THR A 37 -9.937 4.243 1.153 1.00 0.00 N ATOM 591 CA THR A 37 -11.326 4.670 1.015 1.00 0.00 C ATOM 592 C THR A 37 -11.972 4.774 2.397 1.00 0.00 C ATOM 593 O THR A 37 -11.294 4.610 3.409 1.00 0.00 O ATOM 594 CB THR A 37 -12.129 3.760 0.077 1.00 0.00 C ATOM 595 OG1 THR A 37 -13.000 2.906 0.800 1.00 0.00 O ATOM 596 CG2 THR A 37 -11.262 2.915 -0.833 1.00 0.00 C ATOM 0 H THR A 37 -9.804 3.369 1.661 1.00 0.00 H new ATOM 0 HA THR A 37 -11.333 5.655 0.549 1.00 0.00 H new ATOM 0 HB THR A 37 -12.707 4.441 -0.548 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.498 2.341 0.174 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.896 2.297 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.647 3.565 -1.456 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.618 2.275 -0.230 1.00 0.00 H new ATOM 604 N GLU A 38 -13.272 5.052 2.452 1.00 0.00 N ATOM 605 CA GLU A 38 -13.942 5.221 3.742 1.00 0.00 C ATOM 606 C GLU A 38 -13.627 4.057 4.679 1.00 0.00 C ATOM 607 O GLU A 38 -13.017 4.245 5.732 1.00 0.00 O ATOM 608 CB GLU A 38 -15.454 5.336 3.541 1.00 0.00 C ATOM 609 CG GLU A 38 -16.150 6.152 4.617 1.00 0.00 C ATOM 610 CD GLU A 38 -16.705 5.291 5.734 1.00 0.00 C ATOM 611 OE1 GLU A 38 -17.720 4.600 5.504 1.00 0.00 O ATOM 612 OE2 GLU A 38 -16.123 5.305 6.839 1.00 0.00 O ATOM 0 H GLU A 38 -13.874 5.164 1.636 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.571 6.139 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.650 5.790 2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.886 4.336 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.446 6.872 5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.961 6.724 4.166 1.00 0.00 H new ATOM 619 N LYS A 39 -14.003 2.851 4.271 1.00 0.00 N ATOM 620 CA LYS A 39 -13.682 1.650 5.034 1.00 0.00 C ATOM 621 C LYS A 39 -12.253 1.206 4.742 1.00 0.00 C ATOM 622 O LYS A 39 -11.474 0.901 5.645 1.00 0.00 O ATOM 623 CB LYS A 39 -14.658 0.523 4.693 1.00 0.00 C ATOM 624 CG LYS A 39 -16.115 0.886 4.931 1.00 0.00 C ATOM 625 CD LYS A 39 -17.011 -0.340 4.870 1.00 0.00 C ATOM 626 CE LYS A 39 -18.239 -0.183 5.752 1.00 0.00 C ATOM 627 NZ LYS A 39 -19.010 -1.452 5.861 1.00 0.00 N ATOM 0 H LYS A 39 -14.531 2.678 3.416 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.771 1.882 6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.528 0.245 3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.409 -0.355 5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.217 1.365 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.437 1.611 4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.322 -0.512 3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.447 -1.219 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.933 0.142 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.881 0.598 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.839 -1.303 6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.324 -1.750 4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.406 -2.191 6.273 1.00 0.00 H new ATOM 641 N LEU A 40 -11.944 1.160 3.454 1.00 0.00 N ATOM 642 CA LEU A 40 -10.645 0.729 2.954 1.00 0.00 C ATOM 643 C LEU A 40 -9.485 1.475 3.614 1.00 0.00 C ATOM 644 O LEU A 40 -8.387 0.933 3.739 1.00 0.00 O ATOM 645 CB LEU A 40 -10.615 0.960 1.443 1.00 0.00 C ATOM 646 CG LEU A 40 -10.770 -0.283 0.567 1.00 0.00 C ATOM 647 CD1 LEU A 40 -12.136 -0.283 -0.100 1.00 0.00 C ATOM 648 CD2 LEU A 40 -9.680 -0.322 -0.485 1.00 0.00 C ATOM 0 H LEU A 40 -12.597 1.424 2.716 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.517 -0.326 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.410 1.660 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.671 1.443 1.189 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.682 -1.168 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.237 -1.172 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.914 -0.284 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.238 0.607 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.802 -1.212 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.748 0.567 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.705 -0.349 0.002 1.00 0.00 H new ATOM 660 N LEU A 41 -9.711 2.728 4.007 1.00 0.00 N ATOM 661 CA LEU A 41 -8.663 3.522 4.642 1.00 0.00 C ATOM 662 C LEU A 41 -8.036 2.747 5.793 1.00 0.00 C ATOM 663 O LEU A 41 -6.818 2.607 5.864 1.00 0.00 O ATOM 664 CB LEU A 41 -9.226 4.857 5.125 1.00 0.00 C ATOM 665 CG LEU A 41 -8.289 5.684 6.005 1.00 0.00 C ATOM 666 CD1 LEU A 41 -8.287 5.140 7.422 1.00 0.00 C ATOM 667 CD2 LEU A 41 -6.884 5.694 5.420 1.00 0.00 C ATOM 0 H LEU A 41 -10.603 3.211 3.898 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.885 3.728 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.499 5.453 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.144 4.665 5.681 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.648 6.713 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.616 5.737 8.040 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.296 5.188 7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.947 4.104 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.229 6.287 6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.507 4.673 5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.909 6.129 4.421 1.00 0.00 H new ATOM 679 N ARG A 42 -8.867 2.178 6.658 1.00 0.00 N ATOM 680 CA ARG A 42 -8.354 1.338 7.733 1.00 0.00 C ATOM 681 C ARG A 42 -7.558 0.190 7.120 1.00 0.00 C ATOM 682 O ARG A 42 -6.514 -0.229 7.633 1.00 0.00 O ATOM 683 CB ARG A 42 -9.499 0.804 8.602 1.00 0.00 C ATOM 684 CG ARG A 42 -10.258 -0.358 7.981 1.00 0.00 C ATOM 685 CD ARG A 42 -11.732 -0.325 8.348 1.00 0.00 C ATOM 686 NE ARG A 42 -12.172 -1.572 8.967 1.00 0.00 N ATOM 687 CZ ARG A 42 -11.993 -1.858 10.254 1.00 0.00 C ATOM 688 NH1 ARG A 42 -11.385 -0.991 11.051 1.00 0.00 N ATOM 689 NH2 ARG A 42 -12.422 -3.013 10.744 1.00 0.00 N ATOM 0 H ARG A 42 -9.882 2.280 6.638 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.704 1.929 8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.094 0.488 9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.198 1.616 8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.152 -0.324 6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.821 -1.299 8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.916 0.503 9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.324 -0.137 7.452 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.642 -2.262 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.053 -0.102 10.678 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.249 -1.213 12.037 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.890 -3.683 10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.284 -3.231 11.731 1.00 0.00 H new ATOM 703 N GLU A 43 -8.043 -0.292 5.983 1.00 0.00 N ATOM 704 CA GLU A 43 -7.336 -1.322 5.261 1.00 0.00 C ATOM 705 C GLU A 43 -6.007 -0.757 4.790 1.00 0.00 C ATOM 706 O GLU A 43 -5.000 -1.456 4.752 1.00 0.00 O ATOM 707 CB GLU A 43 -8.162 -1.835 4.084 1.00 0.00 C ATOM 708 CG GLU A 43 -8.731 -3.228 4.302 1.00 0.00 C ATOM 709 CD GLU A 43 -9.754 -3.611 3.252 1.00 0.00 C ATOM 710 OE1 GLU A 43 -10.468 -2.711 2.765 1.00 0.00 O ATOM 711 OE2 GLU A 43 -9.840 -4.810 2.916 1.00 0.00 O ATOM 0 H GLU A 43 -8.914 0.015 5.551 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.159 -2.172 5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.982 -1.142 3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.539 -1.842 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.918 -3.954 4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.192 -3.278 5.288 1.00 0.00 H new ATOM 718 N THR A 44 -5.993 0.546 4.505 1.00 0.00 N ATOM 719 CA THR A 44 -4.754 1.219 4.150 1.00 0.00 C ATOM 720 C THR A 44 -3.792 1.086 5.312 1.00 0.00 C ATOM 721 O THR A 44 -2.585 0.989 5.122 1.00 0.00 O ATOM 722 CB THR A 44 -4.978 2.701 3.792 1.00 0.00 C ATOM 723 OG1 THR A 44 -6.118 2.872 2.967 1.00 0.00 O ATOM 724 CG2 THR A 44 -3.801 3.324 3.062 1.00 0.00 C ATOM 0 H THR A 44 -6.818 1.146 4.514 1.00 0.00 H new ATOM 0 HA THR A 44 -4.339 0.749 3.258 1.00 0.00 H new ATOM 0 HB THR A 44 -5.112 3.199 4.752 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.529 2.000 2.791 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.022 4.368 2.839 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.912 3.268 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.623 2.784 2.132 1.00 0.00 H new ATOM 732 N LYS A 45 -4.346 0.994 6.518 1.00 0.00 N ATOM 733 CA LYS A 45 -3.535 0.754 7.694 1.00 0.00 C ATOM 734 C LYS A 45 -2.783 -0.555 7.511 1.00 0.00 C ATOM 735 O LYS A 45 -1.566 -0.626 7.707 1.00 0.00 O ATOM 736 CB LYS A 45 -4.409 0.691 8.950 1.00 0.00 C ATOM 737 CG LYS A 45 -3.716 1.195 10.206 1.00 0.00 C ATOM 738 CD LYS A 45 -3.546 2.706 10.184 1.00 0.00 C ATOM 739 CE LYS A 45 -2.144 3.112 10.605 1.00 0.00 C ATOM 740 NZ LYS A 45 -1.209 3.165 9.447 1.00 0.00 N ATOM 0 H LYS A 45 -5.346 1.082 6.700 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.827 1.573 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.311 1.279 8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.726 -0.340 9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.296 0.906 11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.739 0.720 10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.750 3.082 9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.275 3.166 10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.179 4.088 11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.767 2.404 11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.272 3.478 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.130 2.219 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.572 3.834 8.738 1.00 0.00 H new ATOM 754 N VAL A 46 -3.505 -1.581 7.059 1.00 0.00 N ATOM 755 CA VAL A 46 -2.878 -2.877 6.810 1.00 0.00 C ATOM 756 C VAL A 46 -2.080 -2.850 5.504 1.00 0.00 C ATOM 757 O VAL A 46 -0.992 -3.422 5.419 1.00 0.00 O ATOM 758 CB VAL A 46 -3.896 -4.037 6.795 1.00 0.00 C ATOM 759 CG1 VAL A 46 -4.731 -4.022 8.066 1.00 0.00 C ATOM 760 CG2 VAL A 46 -4.793 -3.986 5.567 1.00 0.00 C ATOM 0 H VAL A 46 -4.505 -1.542 6.861 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.197 -3.061 7.641 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.334 -4.970 6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.445 -4.845 8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.078 -4.133 8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.270 -3.077 8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.495 -4.819 5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.345 -3.046 5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.182 -4.056 4.667 1.00 0.00 H new ATOM 770 N GLY A 47 -2.593 -2.128 4.509 1.00 0.00 N ATOM 771 CA GLY A 47 -1.884 -1.998 3.253 1.00 0.00 C ATOM 772 C GLY A 47 -0.561 -1.296 3.446 1.00 0.00 C ATOM 773 O GLY A 47 0.462 -1.724 2.912 1.00 0.00 O ATOM 0 H GLY A 47 -3.484 -1.634 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.716 -2.985 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.495 -1.441 2.543 1.00 0.00 H new ATOM 777 N VAL A 48 -0.574 -0.233 4.246 1.00 0.00 N ATOM 778 CA VAL A 48 0.646 0.489 4.566 1.00 0.00 C ATOM 779 C VAL A 48 1.659 -0.472 5.152 1.00 0.00 C ATOM 780 O VAL A 48 2.831 -0.435 4.812 1.00 0.00 O ATOM 781 CB VAL A 48 0.395 1.632 5.566 1.00 0.00 C ATOM 782 CG1 VAL A 48 1.704 2.280 5.995 1.00 0.00 C ATOM 783 CG2 VAL A 48 -0.533 2.659 4.959 1.00 0.00 C ATOM 0 H VAL A 48 -1.416 0.144 4.682 1.00 0.00 H new ATOM 0 HA VAL A 48 1.023 0.929 3.643 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.077 1.213 6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.498 3.084 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.341 1.534 6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.212 2.687 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.704 3.463 5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.082 3.068 4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.484 2.188 4.709 1.00 0.00 H new ATOM 793 N GLU A 49 1.199 -1.338 6.034 1.00 0.00 N ATOM 794 CA GLU A 49 2.090 -2.324 6.625 1.00 0.00 C ATOM 795 C GLU A 49 2.737 -3.155 5.526 1.00 0.00 C ATOM 796 O GLU A 49 3.908 -3.524 5.620 1.00 0.00 O ATOM 797 CB GLU A 49 1.337 -3.214 7.611 1.00 0.00 C ATOM 798 CG GLU A 49 2.117 -3.512 8.882 1.00 0.00 C ATOM 799 CD GLU A 49 1.215 -3.868 10.049 1.00 0.00 C ATOM 800 OE1 GLU A 49 0.019 -3.513 10.005 1.00 0.00 O ATOM 801 OE2 GLU A 49 1.708 -4.502 11.006 1.00 0.00 O ATOM 0 H GLU A 49 0.232 -1.382 6.354 1.00 0.00 H new ATOM 0 HA GLU A 49 2.872 -1.806 7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.396 -2.732 7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.086 -4.154 7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.807 -4.335 8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.721 -2.644 9.146 1.00 0.00 H new ATOM 808 N VAL A 50 1.993 -3.397 4.454 1.00 0.00 N ATOM 809 CA VAL A 50 2.563 -4.041 3.287 1.00 0.00 C ATOM 810 C VAL A 50 3.476 -3.025 2.629 1.00 0.00 C ATOM 811 O VAL A 50 4.635 -3.296 2.319 1.00 0.00 O ATOM 812 CB VAL A 50 1.450 -4.536 2.316 1.00 0.00 C ATOM 813 CG1 VAL A 50 1.771 -4.339 0.839 1.00 0.00 C ATOM 814 CG2 VAL A 50 1.150 -6.001 2.595 1.00 0.00 C ATOM 0 H VAL A 50 1.005 -3.159 4.372 1.00 0.00 H new ATOM 0 HA VAL A 50 3.127 -4.930 3.569 1.00 0.00 H new ATOM 0 HB VAL A 50 0.575 -3.916 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.944 -4.711 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.920 -3.278 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.679 -4.887 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.371 -6.349 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.053 -6.592 2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.810 -6.113 3.625 1.00 0.00 H new ATOM 824 N ASN A 51 2.957 -1.820 2.510 1.00 0.00 N ATOM 825 CA ASN A 51 3.708 -0.722 1.957 1.00 0.00 C ATOM 826 C ASN A 51 5.055 -0.614 2.657 1.00 0.00 C ATOM 827 O ASN A 51 6.052 -0.203 2.070 1.00 0.00 O ATOM 828 CB ASN A 51 2.917 0.569 2.112 1.00 0.00 C ATOM 829 CG ASN A 51 3.458 1.693 1.261 1.00 0.00 C ATOM 830 OD1 ASN A 51 4.019 1.459 0.194 1.00 0.00 O ATOM 831 ND2 ASN A 51 3.291 2.922 1.738 1.00 0.00 N ATOM 0 H ASN A 51 2.007 -1.579 2.794 1.00 0.00 H new ATOM 0 HA ASN A 51 3.883 -0.898 0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.876 0.386 1.845 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.929 0.874 3.159 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.636 3.725 1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.818 3.063 2.630 1.00 0.00 H new ATOM 838 N LYS A 52 5.059 -0.981 3.932 1.00 0.00 N ATOM 839 CA LYS A 52 6.266 -0.982 4.721 1.00 0.00 C ATOM 840 C LYS A 52 7.200 -2.081 4.234 1.00 0.00 C ATOM 841 O LYS A 52 8.404 -1.871 4.101 1.00 0.00 O ATOM 842 CB LYS A 52 5.938 -1.192 6.200 1.00 0.00 C ATOM 843 CG LYS A 52 5.647 0.098 6.948 1.00 0.00 C ATOM 844 CD LYS A 52 5.120 -0.176 8.347 1.00 0.00 C ATOM 845 CE LYS A 52 4.271 0.974 8.859 1.00 0.00 C ATOM 846 NZ LYS A 52 2.890 0.537 9.204 1.00 0.00 N ATOM 0 H LYS A 52 4.227 -1.283 4.438 1.00 0.00 H new ATOM 0 HA LYS A 52 6.759 -0.016 4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.075 -1.852 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.774 -1.700 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.556 0.696 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.917 0.686 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.528 -1.091 8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.957 -0.342 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.744 1.410 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.225 1.756 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.344 1.352 9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.429 0.144 8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.931 -0.191 9.945 1.00 0.00 H new ATOM 860 N PHE A 53 6.616 -3.255 3.948 1.00 0.00 N ATOM 861 CA PHE A 53 7.372 -4.443 3.520 1.00 0.00 C ATOM 862 C PHE A 53 8.752 -4.483 4.183 1.00 0.00 C ATOM 863 O PHE A 53 9.757 -4.111 3.579 1.00 0.00 O ATOM 864 CB PHE A 53 7.489 -4.525 1.991 1.00 0.00 C ATOM 865 CG PHE A 53 8.049 -3.294 1.327 1.00 0.00 C ATOM 866 CD1 PHE A 53 9.413 -3.175 1.101 1.00 0.00 C ATOM 867 CD2 PHE A 53 7.211 -2.285 0.872 1.00 0.00 C ATOM 868 CE1 PHE A 53 9.930 -2.060 0.472 1.00 0.00 C ATOM 869 CE2 PHE A 53 7.728 -1.168 0.240 1.00 0.00 C ATOM 870 CZ PHE A 53 9.092 -1.062 0.045 1.00 0.00 C ATOM 0 H PHE A 53 5.609 -3.408 4.007 1.00 0.00 H new ATOM 0 HA PHE A 53 6.813 -5.320 3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.120 -5.376 1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.501 -4.725 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.078 -3.964 1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.144 -2.373 1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 53 10.995 -1.974 0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.069 -0.383 -0.099 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.499 -0.190 -0.445 1.00 0.00 H new ATOM 880 N LYS A 54 8.771 -4.859 5.458 1.00 0.00 N ATOM 881 CA LYS A 54 9.986 -4.796 6.255 1.00 0.00 C ATOM 882 C LYS A 54 10.797 -6.103 6.255 1.00 0.00 C ATOM 883 O LYS A 54 11.558 -6.354 5.321 1.00 0.00 O ATOM 884 CB LYS A 54 9.625 -4.372 7.677 1.00 0.00 C ATOM 885 CG LYS A 54 10.835 -4.225 8.582 1.00 0.00 C ATOM 886 CD LYS A 54 11.341 -2.790 8.599 1.00 0.00 C ATOM 887 CE LYS A 54 12.328 -2.537 7.474 1.00 0.00 C ATOM 888 NZ LYS A 54 13.463 -3.501 7.501 1.00 0.00 N ATOM 0 H LYS A 54 7.956 -5.211 5.960 1.00 0.00 H new ATOM 0 HA LYS A 54 10.641 -4.056 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.088 -3.424 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.945 -5.107 8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.574 -4.533 9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.629 -4.889 8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.499 -2.105 8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.818 -2.582 9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.813 -2.610 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.714 -1.520 7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.305 -3.058 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.667 -3.769 8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.210 -4.350 6.956 1.00 0.00 H new ATOM 902 N LYS A 55 10.725 -6.888 7.344 1.00 0.00 N ATOM 903 CA LYS A 55 11.528 -8.106 7.452 1.00 0.00 C ATOM 904 C LYS A 55 10.856 -9.281 6.750 1.00 0.00 C ATOM 905 O LYS A 55 11.064 -9.501 5.557 1.00 0.00 O ATOM 906 CB LYS A 55 11.814 -8.459 8.911 1.00 0.00 C ATOM 907 CG LYS A 55 12.788 -7.516 9.586 1.00 0.00 C ATOM 908 CD LYS A 55 12.316 -7.150 10.977 1.00 0.00 C ATOM 909 CE LYS A 55 10.945 -6.509 10.910 1.00 0.00 C ATOM 910 NZ LYS A 55 9.956 -7.209 11.775 1.00 0.00 N ATOM 0 H LYS A 55 10.126 -6.700 8.148 1.00 0.00 H new ATOM 0 HA LYS A 55 12.477 -7.906 6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.876 -8.457 9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.211 -9.473 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.771 -7.983 9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.899 -6.612 8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.279 -8.041 11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.024 -6.464 11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.018 -5.465 11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.592 -6.515 9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.032 -6.737 11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.866 -8.199 11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.278 -7.181 12.763 1.00 0.00 H new ATOM 924 N SER A 56 10.058 -10.046 7.496 1.00 0.00 N ATOM 925 CA SER A 56 9.339 -11.166 6.918 1.00 0.00 C ATOM 926 C SER A 56 8.422 -10.673 5.810 1.00 0.00 C ATOM 927 O SER A 56 8.015 -11.438 4.937 1.00 0.00 O ATOM 928 CB SER A 56 8.524 -11.896 7.985 1.00 0.00 C ATOM 929 OG SER A 56 9.154 -11.819 9.251 1.00 0.00 O ATOM 0 H SER A 56 9.898 -9.907 8.494 1.00 0.00 H new ATOM 0 HA SER A 56 10.064 -11.866 6.502 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.526 -11.461 8.045 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.400 -12.941 7.700 1.00 0.00 H new ATOM 0 HG SER A 56 8.611 -12.292 9.916 1.00 0.00 H new ATOM 935 N THR A 57 8.095 -9.385 5.860 1.00 0.00 N ATOM 936 CA THR A 57 7.284 -8.771 4.837 1.00 0.00 C ATOM 937 C THR A 57 8.197 -8.256 3.742 1.00 0.00 C ATOM 938 O THR A 57 8.323 -7.051 3.519 1.00 0.00 O ATOM 939 CB THR A 57 6.460 -7.633 5.436 1.00 0.00 C ATOM 940 OG1 THR A 57 7.081 -7.122 6.602 1.00 0.00 O ATOM 941 CG2 THR A 57 5.054 -8.034 5.801 1.00 0.00 C ATOM 0 H THR A 57 8.385 -8.752 6.605 1.00 0.00 H new ATOM 0 HA THR A 57 6.592 -9.501 4.417 1.00 0.00 H new ATOM 0 HB THR A 57 6.408 -6.877 4.653 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.538 -6.393 6.969 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.528 -7.176 6.220 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.531 -8.380 4.909 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.084 -8.837 6.538 1.00 0.00 H new ATOM 949 N ASN A 58 8.828 -9.198 3.065 1.00 0.00 N ATOM 950 CA ASN A 58 9.782 -8.895 2.014 1.00 0.00 C ATOM 951 C ASN A 58 9.141 -8.081 0.899 1.00 0.00 C ATOM 952 O ASN A 58 7.925 -8.037 0.778 1.00 0.00 O ATOM 953 CB ASN A 58 10.357 -10.184 1.436 1.00 0.00 C ATOM 954 CG ASN A 58 11.864 -10.133 1.281 1.00 0.00 C ATOM 955 OD1 ASN A 58 12.514 -9.189 1.729 1.00 0.00 O ATOM 956 ND2 ASN A 58 12.429 -11.153 0.645 1.00 0.00 N ATOM 0 H ASN A 58 8.693 -10.196 3.229 1.00 0.00 H new ATOM 0 HA ASN A 58 10.583 -8.302 2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.090 -11.019 2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.902 -10.377 0.464 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.440 -11.174 0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.852 -11.915 0.290 1.00 0.00 H new ATOM 963 N VAL A 59 9.977 -7.402 0.116 1.00 0.00 N ATOM 964 CA VAL A 59 9.510 -6.583 -1.015 1.00 0.00 C ATOM 965 C VAL A 59 8.374 -7.260 -1.757 1.00 0.00 C ATOM 966 O VAL A 59 7.474 -6.599 -2.273 1.00 0.00 O ATOM 967 CB VAL A 59 10.629 -6.304 -2.039 1.00 0.00 C ATOM 968 CG1 VAL A 59 10.316 -5.050 -2.842 1.00 0.00 C ATOM 969 CG2 VAL A 59 11.984 -6.189 -1.366 1.00 0.00 C ATOM 0 H VAL A 59 10.989 -7.399 0.241 1.00 0.00 H new ATOM 0 HA VAL A 59 9.175 -5.644 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 59 10.674 -7.152 -2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.116 -4.868 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.375 -5.185 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.233 -4.198 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.748 -5.992 -2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 59 11.964 -5.371 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.214 -7.121 -0.850 1.00 0.00 H new ATOM 979 N GLU A 60 8.396 -8.586 -1.770 1.00 0.00 N ATOM 980 CA GLU A 60 7.331 -9.356 -2.413 1.00 0.00 C ATOM 981 C GLU A 60 5.977 -8.848 -1.932 1.00 0.00 C ATOM 982 O GLU A 60 4.985 -8.875 -2.660 1.00 0.00 O ATOM 983 CB GLU A 60 7.478 -10.843 -2.090 1.00 0.00 C ATOM 984 CG GLU A 60 7.207 -11.177 -0.632 1.00 0.00 C ATOM 985 CD GLU A 60 7.215 -12.670 -0.366 1.00 0.00 C ATOM 986 OE1 GLU A 60 7.914 -13.401 -1.100 1.00 0.00 O ATOM 987 OE2 GLU A 60 6.525 -13.108 0.578 1.00 0.00 O ATOM 0 H GLU A 60 9.132 -9.151 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 60 7.403 -9.230 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.793 -11.412 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.488 -11.164 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.959 -10.696 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.240 -10.765 -0.342 1.00 0.00 H new ATOM 994 N ILE A 61 5.983 -8.305 -0.719 1.00 0.00 N ATOM 995 CA ILE A 61 4.811 -7.694 -0.128 1.00 0.00 C ATOM 996 C ILE A 61 4.206 -6.679 -1.105 1.00 0.00 C ATOM 997 O ILE A 61 2.993 -6.507 -1.155 1.00 0.00 O ATOM 998 CB ILE A 61 5.191 -7.036 1.230 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.038 -8.026 2.387 1.00 0.00 C ATOM 1000 CG2 ILE A 61 4.362 -5.808 1.543 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.300 -9.477 2.039 1.00 0.00 C ATOM 0 H ILE A 61 6.808 -8.279 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 61 4.055 -8.454 0.070 1.00 0.00 H new ATOM 0 HB ILE A 61 6.233 -6.734 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.719 -7.733 3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.026 -7.942 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.673 -5.394 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.507 -5.062 0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.308 -6.083 1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.165 -10.094 2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.602 -9.797 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.321 -9.585 1.674 1.00 0.00 H new ATOM 1013 N SER A 62 5.054 -6.010 -1.883 1.00 0.00 N ATOM 1014 CA SER A 62 4.551 -5.054 -2.865 1.00 0.00 C ATOM 1015 C SER A 62 3.589 -5.752 -3.811 1.00 0.00 C ATOM 1016 O SER A 62 2.419 -5.374 -3.909 1.00 0.00 O ATOM 1017 CB SER A 62 5.705 -4.420 -3.645 1.00 0.00 C ATOM 1018 OG SER A 62 5.591 -3.008 -3.668 1.00 0.00 O ATOM 0 H SER A 62 6.069 -6.108 -1.855 1.00 0.00 H new ATOM 0 HA SER A 62 4.022 -4.258 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.654 -4.704 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.713 -4.804 -4.665 1.00 0.00 H new ATOM 0 HG SER A 62 5.524 -2.700 -4.596 1.00 0.00 H new ATOM 1024 N LYS A 63 4.033 -6.848 -4.409 1.00 0.00 N ATOM 1025 CA LYS A 63 3.153 -7.638 -5.228 1.00 0.00 C ATOM 1026 C LYS A 63 2.011 -8.142 -4.371 1.00 0.00 C ATOM 1027 O LYS A 63 0.873 -8.261 -4.824 1.00 0.00 O ATOM 1028 CB LYS A 63 3.910 -8.806 -5.827 1.00 0.00 C ATOM 1029 CG LYS A 63 3.595 -9.026 -7.285 1.00 0.00 C ATOM 1030 CD LYS A 63 4.587 -9.987 -7.905 1.00 0.00 C ATOM 1031 CE LYS A 63 3.994 -10.720 -9.097 1.00 0.00 C ATOM 1032 NZ LYS A 63 4.103 -9.926 -10.351 1.00 0.00 N ATOM 0 H LYS A 63 4.988 -7.200 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 63 2.760 -7.028 -6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.980 -8.635 -5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.672 -9.711 -5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.584 -9.421 -7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.622 -8.074 -7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.475 -9.439 -8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.908 -10.711 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.505 -11.674 -9.227 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.946 -10.944 -8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.687 -10.462 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.594 -9.026 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.105 -9.734 -10.554 1.00 0.00 H new ATOM 1046 N LEU A 64 2.325 -8.392 -3.103 1.00 0.00 N ATOM 1047 CA LEU A 64 1.326 -8.828 -2.157 1.00 0.00 C ATOM 1048 C LEU A 64 0.257 -7.760 -2.005 1.00 0.00 C ATOM 1049 O LEU A 64 -0.919 -8.084 -1.929 1.00 0.00 O ATOM 1050 CB LEU A 64 1.955 -9.152 -0.805 1.00 0.00 C ATOM 1051 CG LEU A 64 1.137 -10.094 0.072 1.00 0.00 C ATOM 1052 CD1 LEU A 64 2.012 -11.208 0.625 1.00 0.00 C ATOM 1053 CD2 LEU A 64 0.477 -9.317 1.199 1.00 0.00 C ATOM 0 H LEU A 64 3.264 -8.298 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 64 0.865 -9.740 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.936 -9.596 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.115 -8.220 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 64 0.357 -10.550 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.409 -11.869 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.440 -11.778 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.814 -10.777 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.105 -9.999 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.243 -8.837 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.182 -8.557 0.780 1.00 0.00 H new ATOM 1065 N VAL A 65 0.651 -6.478 -2.024 1.00 0.00 N ATOM 1066 CA VAL A 65 -0.340 -5.412 -1.943 1.00 0.00 C ATOM 1067 C VAL A 65 -1.333 -5.572 -3.076 1.00 0.00 C ATOM 1068 O VAL A 65 -2.536 -5.397 -2.897 1.00 0.00 O ATOM 1069 CB VAL A 65 0.246 -3.983 -1.936 1.00 0.00 C ATOM 1070 CG1 VAL A 65 0.579 -3.449 -3.328 1.00 0.00 C ATOM 1071 CG2 VAL A 65 -0.740 -3.068 -1.244 1.00 0.00 C ATOM 0 H VAL A 65 1.620 -6.167 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.829 -5.519 -0.975 1.00 0.00 H new ATOM 0 HB VAL A 65 1.195 -4.017 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.986 -2.441 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.315 -4.099 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.326 -3.425 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.345 -2.052 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.688 -3.080 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.899 -3.411 -0.222 1.00 0.00 H new ATOM 1081 N LYS A 66 -0.819 -5.978 -4.230 1.00 0.00 N ATOM 1082 CA LYS A 66 -1.675 -6.242 -5.373 1.00 0.00 C ATOM 1083 C LYS A 66 -2.663 -7.347 -5.006 1.00 0.00 C ATOM 1084 O LYS A 66 -3.837 -7.330 -5.396 1.00 0.00 O ATOM 1085 CB LYS A 66 -0.834 -6.643 -6.582 1.00 0.00 C ATOM 1086 CG LYS A 66 -1.514 -6.376 -7.911 1.00 0.00 C ATOM 1087 CD LYS A 66 -0.925 -5.152 -8.579 1.00 0.00 C ATOM 1088 CE LYS A 66 0.326 -5.499 -9.365 1.00 0.00 C ATOM 1089 NZ LYS A 66 0.048 -6.480 -10.449 1.00 0.00 N ATOM 0 H LYS A 66 0.176 -6.130 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.228 -5.340 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.111 -6.101 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.596 -7.704 -6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.401 -7.242 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.583 -6.232 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.664 -4.708 -9.246 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.686 -4.403 -7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.747 -4.591 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.077 -5.908 -8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.434 -6.124 -11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.494 -7.390 -10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.979 -6.612 -10.543 1.00 0.00 H new ATOM 1103 N LYS A 67 -2.178 -8.288 -4.207 1.00 0.00 N ATOM 1104 CA LYS A 67 -3.016 -9.365 -3.694 1.00 0.00 C ATOM 1105 C LYS A 67 -3.938 -8.803 -2.628 1.00 0.00 C ATOM 1106 O LYS A 67 -5.118 -9.145 -2.543 1.00 0.00 O ATOM 1107 CB LYS A 67 -2.153 -10.484 -3.109 1.00 0.00 C ATOM 1108 CG LYS A 67 -2.522 -11.869 -3.616 1.00 0.00 C ATOM 1109 CD LYS A 67 -3.841 -12.346 -3.027 1.00 0.00 C ATOM 1110 CE LYS A 67 -4.152 -13.774 -3.443 1.00 0.00 C ATOM 1111 NZ LYS A 67 -4.485 -13.870 -4.891 1.00 0.00 N ATOM 0 H LYS A 67 -1.206 -8.328 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.606 -9.784 -4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.108 -10.286 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.242 -10.469 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.593 -11.852 -4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.732 -12.574 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.799 -12.284 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.646 -11.687 -3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.295 -14.411 -3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.987 -14.150 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.740 -14.851 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.287 -13.243 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.661 -13.583 -5.457 1.00 0.00 H new ATOM 1125 N MET A 68 -3.373 -7.901 -1.840 1.00 0.00 N ATOM 1126 CA MET A 68 -4.094 -7.201 -0.803 1.00 0.00 C ATOM 1127 C MET A 68 -5.220 -6.388 -1.432 1.00 0.00 C ATOM 1128 O MET A 68 -6.282 -6.233 -0.844 1.00 0.00 O ATOM 1129 CB MET A 68 -3.110 -6.309 -0.037 1.00 0.00 C ATOM 1130 CG MET A 68 -3.144 -6.464 1.478 1.00 0.00 C ATOM 1131 SD MET A 68 -4.816 -6.579 2.143 1.00 0.00 S ATOM 1132 CE MET A 68 -4.494 -7.334 3.736 1.00 0.00 C ATOM 0 H MET A 68 -2.390 -7.636 -1.908 1.00 0.00 H new ATOM 0 HA MET A 68 -4.542 -7.903 -0.100 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.100 -6.525 -0.386 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.318 -5.268 -0.285 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.586 -7.358 1.758 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.636 -5.615 1.935 1.00 0.00 H new ATOM 0 HE1 MET A 68 -5.434 -7.471 4.270 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.015 -8.302 3.590 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.837 -6.688 4.318 1.00 0.00 H new ATOM 1142 N ILE A 69 -4.989 -5.915 -2.662 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.016 -5.197 -3.418 1.00 0.00 C ATOM 1144 C ILE A 69 -7.215 -6.107 -3.635 1.00 0.00 C ATOM 1145 O ILE A 69 -8.356 -5.729 -3.370 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.492 -4.722 -4.797 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -4.353 -3.696 -4.634 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -6.620 -4.173 -5.663 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -4.695 -2.261 -4.998 1.00 0.00 C ATOM 0 H ILE A 69 -4.101 -6.017 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.298 -4.318 -2.839 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.082 -5.590 -5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.017 -3.717 -3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.512 -4.016 -5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.217 -3.849 -6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.365 -4.952 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.085 -3.325 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.821 -1.628 -4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.999 -2.213 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.512 -1.910 -4.367 1.00 0.00 H new ATOM 1161 N SER A 70 -6.948 -7.319 -4.109 1.00 0.00 N ATOM 1162 CA SER A 70 -8.017 -8.278 -4.356 1.00 0.00 C ATOM 1163 C SER A 70 -8.907 -8.416 -3.121 1.00 0.00 C ATOM 1164 O SER A 70 -10.131 -8.316 -3.211 1.00 0.00 O ATOM 1165 CB SER A 70 -7.433 -9.639 -4.736 1.00 0.00 C ATOM 1166 OG SER A 70 -6.765 -9.577 -5.984 1.00 0.00 O ATOM 0 H SER A 70 -6.011 -7.658 -4.328 1.00 0.00 H new ATOM 0 HA SER A 70 -8.623 -7.912 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.738 -9.968 -3.964 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.231 -10.380 -4.783 1.00 0.00 H new ATOM 0 HG SER A 70 -6.399 -10.459 -6.203 1.00 0.00 H new ATOM 1172 N SER A 71 -8.281 -8.644 -1.971 1.00 0.00 N ATOM 1173 CA SER A 71 -9.010 -8.783 -0.714 1.00 0.00 C ATOM 1174 C SER A 71 -9.431 -7.425 -0.150 1.00 0.00 C ATOM 1175 O SER A 71 -10.348 -7.346 0.668 1.00 0.00 O ATOM 1176 CB SER A 71 -8.153 -9.526 0.312 1.00 0.00 C ATOM 1177 OG SER A 71 -8.506 -10.897 0.375 1.00 0.00 O ATOM 0 H SER A 71 -7.269 -8.737 -1.883 1.00 0.00 H new ATOM 0 HA SER A 71 -9.914 -9.356 -0.920 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.100 -9.430 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.278 -9.070 1.294 1.00 0.00 H new ATOM 0 HG SER A 71 -7.943 -11.350 1.037 1.00 0.00 H new ATOM 1183 N TRP A 72 -8.748 -6.362 -0.570 1.00 0.00 N ATOM 1184 CA TRP A 72 -9.044 -5.022 -0.067 1.00 0.00 C ATOM 1185 C TRP A 72 -10.517 -4.696 -0.255 1.00 0.00 C ATOM 1186 O TRP A 72 -11.212 -4.351 0.698 1.00 0.00 O ATOM 1187 CB TRP A 72 -8.189 -3.968 -0.785 1.00 0.00 C ATOM 1188 CG TRP A 72 -6.856 -3.733 -0.148 1.00 0.00 C ATOM 1189 CD1 TRP A 72 -6.444 -4.185 1.068 1.00 0.00 C ATOM 1190 CD2 TRP A 72 -5.758 -2.988 -0.694 1.00 0.00 C ATOM 1191 NE1 TRP A 72 -5.159 -3.769 1.318 1.00 0.00 N ATOM 1192 CE2 TRP A 72 -4.717 -3.030 0.254 1.00 0.00 C ATOM 1193 CE3 TRP A 72 -5.553 -2.284 -1.887 1.00 0.00 C ATOM 1194 CZ2 TRP A 72 -3.493 -2.402 0.046 1.00 0.00 C ATOM 1195 CZ3 TRP A 72 -4.331 -1.666 -2.092 1.00 0.00 C ATOM 1196 CH2 TRP A 72 -3.324 -1.717 -1.124 1.00 0.00 C ATOM 0 H TRP A 72 -7.991 -6.401 -1.253 1.00 0.00 H new ATOM 0 HA TRP A 72 -8.806 -5.004 0.997 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.037 -4.280 -1.818 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.738 -3.027 -0.814 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -7.041 -4.784 1.739 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.622 -3.977 2.160 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -6.332 -2.224 -2.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -2.705 -2.454 0.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.153 -1.135 -3.016 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.391 -1.203 -1.305 1.00 0.00 H new ATOM 1207 N LYS A 73 -10.992 -4.853 -1.481 1.00 0.00 N ATOM 1208 CA LYS A 73 -12.388 -4.606 -1.801 1.00 0.00 C ATOM 1209 C LYS A 73 -13.259 -5.738 -1.272 1.00 0.00 C ATOM 1210 O LYS A 73 -14.410 -5.527 -0.889 1.00 0.00 O ATOM 1211 CB LYS A 73 -12.564 -4.461 -3.313 1.00 0.00 C ATOM 1212 CG LYS A 73 -12.166 -3.091 -3.839 1.00 0.00 C ATOM 1213 CD LYS A 73 -13.272 -2.474 -4.678 1.00 0.00 C ATOM 1214 CE LYS A 73 -12.708 -1.669 -5.838 1.00 0.00 C ATOM 1215 NZ LYS A 73 -12.821 -0.203 -5.604 1.00 0.00 N ATOM 0 H LYS A 73 -10.426 -5.152 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.699 -3.677 -1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.967 -5.222 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.606 -4.652 -3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.932 -2.433 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.260 -3.179 -4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.921 -3.261 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.888 -1.829 -4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.661 -1.933 -5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.237 -1.932 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.425 0.310 -6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.822 0.054 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.295 0.053 -4.744 1.00 0.00 H new