USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 577 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 77 CYS SG : rot 180:sc= -0.223 USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0.0158 USER MOD Set 2.1: A 72 ASN : amide:sc= 1.23 K(o=2.2,f=-5.5!) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.941 K(o=2.2,f=0.42) USER MOD Set 3.1: A 50 GLN : amide:sc= 1.44 K(o=2.5,f=-0.27) USER MOD Set 3.2: A 64 GLN : amide:sc= 1.09 K(o=2.5,f=0.51) USER MOD Set 4.1: A 42 HIS : no HE2:sc= 0.761 K(o=2.8,f=-6.2!) USER MOD Set 4.2: A 45 ASN : amide:sc= 1.99 K(o=2.8,f=-9.4!) USER MOD Set 5.1: A 13 THR OG1 : rot -140:sc= 0.772 USER MOD Set 5.2: A 69 LYS NZ :NH3+ -157:sc= 0.946! (180deg=-0.217) USER MOD Single : A 5 ASN : amide:sc= 0.319 K(o=0.32,f=-3.6!) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 1.18 (180deg=0.546) USER MOD Single : A 19 TYR OH : rot -18:sc= 1.05 USER MOD Single : A 20 ASN : amide:sc= 1.17 K(o=1.2,f=-9.6!) USER MOD Single : A 21 GLN : amide:sc= 0.545 K(o=0.54,f=-5.3!) USER MOD Single : A 24 THR OG1 : rot 75:sc= 1.4 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= -0.451! (180deg=-0.765!) USER MOD Single : A 26 SER OG : rot -126:sc= 1.41 USER MOD Single : A 41 GLN : amide:sc= 2.16 K(o=2.2,f=-6.6!) USER MOD Single : A 43 CYS SG : rot -160:sc= 0.00604 USER MOD Single : A 46 CYS SG : rot -61:sc= -0.594 USER MOD Single : A 47 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.47) USER MOD Single : A 49 MET CE :methyl -163:sc= -0.0436 (180deg=-0.396) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00344 USER MOD Single : A 61 LYS NZ :NH3+ -149:sc= 1.14 (180deg=-0.472) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.329 USER MOD Single : A 81 THR OG1 : rot 70:sc= 0.922 USER MOD Single : A 83 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 -3.112 7.936 12.595 1.00 0.00 N ATOM 15 CA ALA A 2 -3.748 6.742 12.050 1.00 0.00 C ATOM 16 C ALA A 2 -5.245 7.034 11.879 1.00 0.00 C ATOM 17 O ALA A 2 -5.924 7.233 12.884 1.00 0.00 O ATOM 18 CB ALA A 2 -3.505 5.523 12.945 1.00 0.00 C ATOM 0 HA ALA A 2 -3.312 6.498 11.081 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.992 4.650 12.511 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.434 5.338 13.025 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.916 5.712 13.937 1.00 0.00 H new ATOM 24 N PRO A 3 -5.762 7.141 10.643 1.00 0.00 N ATOM 25 CA PRO A 3 -7.162 7.457 10.408 1.00 0.00 C ATOM 26 C PRO A 3 -8.068 6.292 10.781 1.00 0.00 C ATOM 27 O PRO A 3 -7.634 5.145 10.858 1.00 0.00 O ATOM 28 CB PRO A 3 -7.286 7.797 8.918 1.00 0.00 C ATOM 29 CG PRO A 3 -6.037 7.200 8.266 1.00 0.00 C ATOM 30 CD PRO A 3 -5.023 7.030 9.400 1.00 0.00 C ATOM 0 HA PRO A 3 -7.477 8.295 11.030 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.195 7.372 8.491 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.335 8.875 8.763 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.261 6.244 7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.649 7.857 7.488 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.525 6.063 9.331 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -4.247 7.793 9.342 1.00 0.00 H new ATOM 38 N ALA A 4 -9.357 6.590 10.963 1.00 0.00 N ATOM 39 CA ALA A 4 -10.361 5.556 11.135 1.00 0.00 C ATOM 40 C ALA A 4 -10.401 4.690 9.874 1.00 0.00 C ATOM 41 O ALA A 4 -10.344 3.465 9.933 1.00 0.00 O ATOM 42 CB ALA A 4 -11.723 6.195 11.420 1.00 0.00 C ATOM 0 H ALA A 4 -9.723 7.542 10.994 1.00 0.00 H new ATOM 0 HA ALA A 4 -10.109 4.922 11.985 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.472 5.413 11.548 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.662 6.791 12.330 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -12.006 6.836 10.585 1.00 0.00 H new ATOM 48 N ASN A 5 -10.423 5.345 8.712 1.00 0.00 N ATOM 49 CA ASN A 5 -10.372 4.723 7.391 1.00 0.00 C ATOM 50 C ASN A 5 -8.930 4.377 7.027 1.00 0.00 C ATOM 51 O ASN A 5 -8.489 4.611 5.907 1.00 0.00 O ATOM 52 CB ASN A 5 -11.014 5.632 6.327 1.00 0.00 C ATOM 53 CG ASN A 5 -10.626 7.101 6.472 1.00 0.00 C ATOM 54 OD1 ASN A 5 -10.911 7.734 7.486 1.00 0.00 O ATOM 55 ND2 ASN A 5 -9.937 7.646 5.481 1.00 0.00 N ATOM 0 H ASN A 5 -10.479 6.362 8.665 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.949 3.799 7.421 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.722 5.283 5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.099 5.542 6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.628 8.616 5.548 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.715 7.096 4.651 1.00 0.00 H new ATOM 62 N ALA A 6 -8.193 3.790 7.961 1.00 0.00 N ATOM 63 CA ALA A 6 -6.886 3.221 7.688 1.00 0.00 C ATOM 64 C ALA A 6 -7.047 1.800 7.166 1.00 0.00 C ATOM 65 O ALA A 6 -7.807 1.017 7.732 1.00 0.00 O ATOM 66 CB ALA A 6 -6.071 3.218 8.978 1.00 0.00 C ATOM 0 H ALA A 6 -8.489 3.696 8.933 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.370 3.815 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.086 2.792 8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.960 4.240 9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.584 2.620 9.731 1.00 0.00 H new ATOM 72 N VAL A 7 -6.313 1.449 6.109 1.00 0.00 N ATOM 73 CA VAL A 7 -6.179 0.056 5.734 1.00 0.00 C ATOM 74 C VAL A 7 -5.325 -0.623 6.797 1.00 0.00 C ATOM 75 O VAL A 7 -4.118 -0.384 6.892 1.00 0.00 O ATOM 76 CB VAL A 7 -5.554 -0.114 4.350 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.433 -1.602 4.002 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.398 0.565 3.270 1.00 0.00 C ATOM 0 H VAL A 7 -5.812 2.105 5.510 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.167 -0.400 5.677 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.568 0.350 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.986 -1.709 3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.803 -2.098 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.423 -2.058 4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.926 0.425 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.395 0.124 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.476 1.631 3.486 1.00 0.00 H new ATOM 88 N ALA A 8 -5.984 -1.472 7.574 1.00 0.00 N ATOM 89 CA ALA A 8 -5.368 -2.299 8.587 1.00 0.00 C ATOM 90 C ALA A 8 -4.669 -3.481 7.923 1.00 0.00 C ATOM 91 O ALA A 8 -5.154 -3.999 6.918 1.00 0.00 O ATOM 92 CB ALA A 8 -6.441 -2.799 9.553 1.00 0.00 C ATOM 0 H ALA A 8 -6.993 -1.604 7.510 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.632 -1.717 9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.979 -3.423 10.318 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.930 -1.947 10.026 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.180 -3.384 9.005 1.00 0.00 H new ATOM 98 N ALA A 9 -3.550 -3.931 8.489 1.00 0.00 N ATOM 99 CA ALA A 9 -2.858 -5.136 8.041 1.00 0.00 C ATOM 100 C ALA A 9 -3.833 -6.308 7.859 1.00 0.00 C ATOM 101 O ALA A 9 -3.761 -7.034 6.871 1.00 0.00 O ATOM 102 CB ALA A 9 -1.760 -5.491 9.047 1.00 0.00 C ATOM 0 H ALA A 9 -3.096 -3.466 9.276 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.407 -4.940 7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.241 -6.390 8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.050 -4.667 9.117 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.207 -5.669 10.025 1.00 0.00 H new ATOM 108 N ASP A 10 -4.750 -6.478 8.814 1.00 0.00 N ATOM 109 CA ASP A 10 -5.740 -7.542 8.873 1.00 0.00 C ATOM 110 C ASP A 10 -7.066 -7.163 8.198 1.00 0.00 C ATOM 111 O ASP A 10 -8.041 -7.901 8.336 1.00 0.00 O ATOM 112 CB ASP A 10 -5.969 -7.900 10.351 1.00 0.00 C ATOM 113 CG ASP A 10 -6.482 -6.706 11.149 1.00 0.00 C ATOM 114 OD1 ASP A 10 -5.771 -5.675 11.113 1.00 0.00 O ATOM 115 OD2 ASP A 10 -7.555 -6.840 11.772 1.00 0.00 O ATOM 0 H ASP A 10 -4.821 -5.840 9.607 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.358 -8.400 8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.686 -8.718 10.420 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.036 -8.256 10.788 1.00 0.00 H new ATOM 120 N ASP A 11 -7.129 -6.055 7.445 1.00 0.00 N ATOM 121 CA ASP A 11 -8.310 -5.744 6.643 1.00 0.00 C ATOM 122 C ASP A 11 -8.593 -6.924 5.699 1.00 0.00 C ATOM 123 O ASP A 11 -7.678 -7.603 5.236 1.00 0.00 O ATOM 124 CB ASP A 11 -8.105 -4.407 5.910 1.00 0.00 C ATOM 125 CG ASP A 11 -9.158 -4.007 4.889 1.00 0.00 C ATOM 126 OD1 ASP A 11 -10.188 -4.694 4.705 1.00 0.00 O ATOM 127 OD2 ASP A 11 -8.933 -2.973 4.226 1.00 0.00 O ATOM 0 H ASP A 11 -6.379 -5.367 7.378 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.190 -5.615 7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.043 -3.617 6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.140 -4.443 5.404 1.00 0.00 H new ATOM 132 N ALA A 12 -9.862 -7.164 5.380 1.00 0.00 N ATOM 133 CA ALA A 12 -10.248 -8.233 4.472 1.00 0.00 C ATOM 134 C ALA A 12 -9.698 -7.907 3.087 1.00 0.00 C ATOM 135 O ALA A 12 -9.137 -8.757 2.392 1.00 0.00 O ATOM 136 CB ALA A 12 -11.773 -8.362 4.449 1.00 0.00 C ATOM 0 H ALA A 12 -10.647 -6.624 5.744 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.839 -9.188 4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.060 -9.163 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.134 -8.591 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.212 -7.424 4.111 1.00 0.00 H new ATOM 142 N THR A 13 -9.829 -6.636 2.707 1.00 0.00 N ATOM 143 CA THR A 13 -9.271 -6.140 1.469 1.00 0.00 C ATOM 144 C THR A 13 -7.743 -6.262 1.513 1.00 0.00 C ATOM 145 O THR A 13 -7.128 -6.692 0.540 1.00 0.00 O ATOM 146 CB THR A 13 -9.745 -4.696 1.286 1.00 0.00 C ATOM 147 OG1 THR A 13 -11.136 -4.589 1.550 1.00 0.00 O ATOM 148 CG2 THR A 13 -9.473 -4.184 -0.132 1.00 0.00 C ATOM 0 H THR A 13 -10.325 -5.931 3.253 1.00 0.00 H new ATOM 0 HA THR A 13 -9.608 -6.723 0.612 1.00 0.00 H new ATOM 0 HB THR A 13 -9.183 -4.087 1.994 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.546 -3.981 0.900 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.824 -3.156 -0.221 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.402 -4.221 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.999 -4.811 -0.852 1.00 0.00 H new ATOM 156 N ALA A 14 -7.118 -5.926 2.650 1.00 0.00 N ATOM 157 CA ALA A 14 -5.674 -6.066 2.785 1.00 0.00 C ATOM 158 C ALA A 14 -5.256 -7.506 2.542 1.00 0.00 C ATOM 159 O ALA A 14 -4.355 -7.754 1.751 1.00 0.00 O ATOM 160 CB ALA A 14 -5.179 -5.623 4.159 1.00 0.00 C ATOM 0 H ALA A 14 -7.589 -5.560 3.477 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.221 -5.416 2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.097 -5.745 4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.434 -4.575 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.652 -6.232 4.930 1.00 0.00 H new ATOM 166 N ILE A 15 -5.922 -8.450 3.204 1.00 0.00 N ATOM 167 CA ILE A 15 -5.676 -9.872 3.061 1.00 0.00 C ATOM 168 C ILE A 15 -5.747 -10.241 1.578 1.00 0.00 C ATOM 169 O ILE A 15 -4.788 -10.789 1.035 1.00 0.00 O ATOM 170 CB ILE A 15 -6.650 -10.641 3.965 1.00 0.00 C ATOM 171 CG1 ILE A 15 -6.136 -10.506 5.408 1.00 0.00 C ATOM 172 CG2 ILE A 15 -6.767 -12.116 3.560 1.00 0.00 C ATOM 173 CD1 ILE A 15 -7.169 -10.941 6.442 1.00 0.00 C ATOM 0 H ILE A 15 -6.665 -8.235 3.870 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.676 -10.152 3.392 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.652 -10.222 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.234 -11.107 5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.855 -9.469 5.594 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.466 -12.622 4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.129 -12.184 2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.789 -12.592 3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.753 -10.825 7.443 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.062 -10.323 6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.431 -11.986 6.277 1.00 0.00 H new ATOM 185 N ALA A 16 -6.846 -9.886 0.904 1.00 0.00 N ATOM 186 CA ALA A 16 -6.998 -10.129 -0.528 1.00 0.00 C ATOM 187 C ALA A 16 -5.823 -9.569 -1.345 1.00 0.00 C ATOM 188 O ALA A 16 -5.399 -10.182 -2.322 1.00 0.00 O ATOM 189 CB ALA A 16 -8.330 -9.550 -1.013 1.00 0.00 C ATOM 0 H ALA A 16 -7.648 -9.426 1.335 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.997 -11.208 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.439 -9.734 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.151 -10.027 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.350 -8.476 -0.826 1.00 0.00 H new ATOM 195 N LEU A 17 -5.298 -8.409 -0.947 1.00 0.00 N ATOM 196 CA LEU A 17 -4.206 -7.714 -1.627 1.00 0.00 C ATOM 197 C LEU A 17 -2.836 -8.093 -1.055 1.00 0.00 C ATOM 198 O LEU A 17 -1.820 -7.624 -1.558 1.00 0.00 O ATOM 199 CB LEU A 17 -4.505 -6.209 -1.632 1.00 0.00 C ATOM 200 CG LEU A 17 -5.810 -5.854 -2.370 1.00 0.00 C ATOM 201 CD1 LEU A 17 -6.042 -4.345 -2.274 1.00 0.00 C ATOM 202 CD2 LEU A 17 -5.779 -6.259 -3.850 1.00 0.00 C ATOM 0 H LEU A 17 -5.631 -7.914 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.147 -8.035 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.568 -5.854 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.674 -5.681 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.618 -6.409 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.964 -4.085 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.122 -4.055 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.205 -3.818 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.723 -5.986 -4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.960 -5.743 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.632 -7.336 -3.929 1.00 0.00 H new ATOM 214 N LYS A 18 -2.774 -8.978 -0.053 1.00 0.00 N ATOM 215 CA LYS A 18 -1.557 -9.333 0.657 1.00 0.00 C ATOM 216 C LYS A 18 -0.836 -8.084 1.173 1.00 0.00 C ATOM 217 O LYS A 18 0.393 -8.014 1.169 1.00 0.00 O ATOM 218 CB LYS A 18 -0.657 -10.180 -0.245 1.00 0.00 C ATOM 219 CG LYS A 18 -1.374 -11.394 -0.846 1.00 0.00 C ATOM 220 CD LYS A 18 -1.735 -12.421 0.239 1.00 0.00 C ATOM 221 CE LYS A 18 -1.605 -13.853 -0.295 1.00 0.00 C ATOM 222 NZ LYS A 18 -0.187 -14.253 -0.404 1.00 0.00 N ATOM 0 H LYS A 18 -3.596 -9.476 0.289 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.818 -9.930 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.273 -9.557 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.203 -10.522 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.280 -11.068 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.736 -11.862 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.081 -12.290 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.755 -12.249 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.130 -14.541 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.083 -13.925 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.122 -15.177 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.332 -13.543 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.229 -14.321 0.547 1.00 0.00 H new ATOM 236 N TYR A 19 -1.610 -7.086 1.602 1.00 0.00 N ATOM 237 CA TYR A 19 -1.043 -5.824 2.035 1.00 0.00 C ATOM 238 C TYR A 19 -0.375 -5.982 3.398 1.00 0.00 C ATOM 239 O TYR A 19 -0.873 -6.709 4.255 1.00 0.00 O ATOM 240 CB TYR A 19 -2.098 -4.708 2.021 1.00 0.00 C ATOM 241 CG TYR A 19 -1.824 -3.507 2.917 1.00 0.00 C ATOM 242 CD1 TYR A 19 -2.287 -3.524 4.246 1.00 0.00 C ATOM 243 CD2 TYR A 19 -1.187 -2.348 2.429 1.00 0.00 C ATOM 244 CE1 TYR A 19 -2.316 -2.345 4.999 1.00 0.00 C ATOM 245 CE2 TYR A 19 -1.119 -1.195 3.236 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.799 -1.157 4.463 1.00 0.00 C ATOM 247 OH TYR A 19 -1.993 0.032 5.106 1.00 0.00 O ATOM 0 H TYR A 19 -2.627 -7.134 1.656 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.269 -5.525 1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.206 -4.352 0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.056 -5.140 2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.622 -4.452 4.687 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.753 -2.344 1.440 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.737 -2.350 5.994 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.544 -0.341 2.910 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.731 -0.058 5.745 1.00 0.00 H new ATOM 257 N ASN A 20 0.714 -5.242 3.623 1.00 0.00 N ATOM 258 CA ASN A 20 1.156 -4.916 4.974 1.00 0.00 C ATOM 259 C ASN A 20 1.493 -3.427 5.009 1.00 0.00 C ATOM 260 O ASN A 20 2.083 -2.908 4.062 1.00 0.00 O ATOM 261 CB ASN A 20 2.301 -5.829 5.442 1.00 0.00 C ATOM 262 CG ASN A 20 2.715 -5.601 6.897 1.00 0.00 C ATOM 263 OD1 ASN A 20 2.222 -4.698 7.570 1.00 0.00 O ATOM 264 ND2 ASN A 20 3.657 -6.392 7.394 1.00 0.00 N ATOM 0 H ASN A 20 1.304 -4.859 2.884 1.00 0.00 H new ATOM 0 HA ASN A 20 0.360 -5.106 5.694 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.998 -6.869 5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.166 -5.670 4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.985 -6.256 8.350 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.054 -7.136 6.820 1.00 0.00 H new ATOM 271 N GLN A 21 1.080 -2.760 6.092 1.00 0.00 N ATOM 272 CA GLN A 21 1.444 -1.401 6.473 1.00 0.00 C ATOM 273 C GLN A 21 2.962 -1.260 6.552 1.00 0.00 C ATOM 274 O GLN A 21 3.522 -0.257 6.117 1.00 0.00 O ATOM 275 CB GLN A 21 0.868 -1.127 7.866 1.00 0.00 C ATOM 276 CG GLN A 21 -0.649 -0.918 7.865 1.00 0.00 C ATOM 277 CD GLN A 21 -1.236 -0.964 9.272 1.00 0.00 C ATOM 278 OE1 GLN A 21 -2.037 -1.838 9.593 1.00 0.00 O ATOM 279 NE2 GLN A 21 -0.833 -0.033 10.131 1.00 0.00 N ATOM 0 H GLN A 21 0.443 -3.186 6.765 1.00 0.00 H new ATOM 0 HA GLN A 21 1.054 -0.702 5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.112 -1.962 8.523 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.349 -0.242 8.283 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.882 0.043 7.407 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.120 -1.686 7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.167 0.680 9.835 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.190 -0.032 11.086 1.00 0.00 H new ATOM 288 N ASP A 22 3.617 -2.259 7.149 1.00 0.00 N ATOM 289 CA ASP A 22 5.066 -2.374 7.152 1.00 0.00 C ATOM 290 C ASP A 22 5.474 -3.181 5.916 1.00 0.00 C ATOM 291 O ASP A 22 5.326 -4.400 5.864 1.00 0.00 O ATOM 292 CB ASP A 22 5.569 -2.908 8.507 1.00 0.00 C ATOM 293 CG ASP A 22 6.006 -4.361 8.533 1.00 0.00 C ATOM 294 OD1 ASP A 22 7.165 -4.634 8.131 1.00 0.00 O ATOM 295 OD2 ASP A 22 5.311 -5.190 9.166 1.00 0.00 O ATOM 0 H ASP A 22 3.146 -3.015 7.647 1.00 0.00 H new ATOM 0 HA ASP A 22 5.559 -1.405 7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.409 -2.292 8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.776 -2.775 9.243 1.00 0.00 H new ATOM 300 N ALA A 23 5.937 -2.491 4.873 1.00 0.00 N ATOM 301 CA ALA A 23 6.333 -3.157 3.642 1.00 0.00 C ATOM 302 C ALA A 23 7.408 -4.220 3.895 1.00 0.00 C ATOM 303 O ALA A 23 7.384 -5.282 3.277 1.00 0.00 O ATOM 304 CB ALA A 23 6.790 -2.114 2.628 1.00 0.00 C ATOM 0 H ALA A 23 6.045 -1.477 4.860 1.00 0.00 H new ATOM 0 HA ALA A 23 5.472 -3.686 3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.087 -2.610 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.972 -1.424 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.638 -1.561 3.032 1.00 0.00 H new ATOM 310 N THR A 24 8.342 -3.944 4.809 1.00 0.00 N ATOM 311 CA THR A 24 9.418 -4.840 5.201 1.00 0.00 C ATOM 312 C THR A 24 8.939 -6.278 5.437 1.00 0.00 C ATOM 313 O THR A 24 9.477 -7.201 4.832 1.00 0.00 O ATOM 314 CB THR A 24 10.128 -4.236 6.422 1.00 0.00 C ATOM 315 OG1 THR A 24 9.254 -3.365 7.123 1.00 0.00 O ATOM 316 CG2 THR A 24 11.326 -3.393 5.974 1.00 0.00 C ATOM 0 H THR A 24 8.365 -3.056 5.311 1.00 0.00 H new ATOM 0 HA THR A 24 10.131 -4.927 4.381 1.00 0.00 H new ATOM 0 HB THR A 24 10.445 -5.062 7.058 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.596 -3.893 7.622 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.821 -2.970 6.848 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.029 -4.022 5.428 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.982 -2.586 5.327 1.00 0.00 H new ATOM 324 N LYS A 25 7.928 -6.488 6.286 1.00 0.00 N ATOM 325 CA LYS A 25 7.338 -7.807 6.498 1.00 0.00 C ATOM 326 C LYS A 25 6.037 -7.960 5.707 1.00 0.00 C ATOM 327 O LYS A 25 5.065 -8.544 6.184 1.00 0.00 O ATOM 328 CB LYS A 25 7.088 -8.009 7.985 1.00 0.00 C ATOM 329 CG LYS A 25 8.392 -8.085 8.790 1.00 0.00 C ATOM 330 CD LYS A 25 8.094 -8.219 10.290 1.00 0.00 C ATOM 331 CE LYS A 25 8.245 -6.892 11.046 1.00 0.00 C ATOM 332 NZ LYS A 25 7.460 -5.796 10.450 1.00 0.00 N ATOM 0 H LYS A 25 7.499 -5.749 6.843 1.00 0.00 H new ATOM 0 HA LYS A 25 8.031 -8.568 6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.478 -7.189 8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.518 -8.926 8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.984 -8.936 8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.989 -7.191 8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.079 -8.594 10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.766 -8.959 10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.934 -7.033 12.081 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.297 -6.609 11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.507 -4.960 11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.849 -5.558 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.469 -6.095 10.346 1.00 0.00 H new ATOM 346 N SER A 26 6.010 -7.430 4.492 1.00 0.00 N ATOM 347 CA SER A 26 5.069 -7.844 3.465 1.00 0.00 C ATOM 348 C SER A 26 5.614 -9.065 2.714 1.00 0.00 C ATOM 349 O SER A 26 6.684 -9.581 3.030 1.00 0.00 O ATOM 350 CB SER A 26 4.832 -6.682 2.501 1.00 0.00 C ATOM 351 OG SER A 26 3.717 -6.990 1.695 1.00 0.00 O ATOM 0 H SER A 26 6.648 -6.693 4.190 1.00 0.00 H new ATOM 0 HA SER A 26 4.122 -8.122 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.656 -5.760 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.714 -6.518 1.881 1.00 0.00 H new ATOM 0 HG SER A 26 3.964 -6.909 0.750 1.00 0.00 H new ATOM 357 N GLU A 27 4.899 -9.477 1.663 1.00 0.00 N ATOM 358 CA GLU A 27 5.332 -10.532 0.755 1.00 0.00 C ATOM 359 C GLU A 27 6.286 -9.994 -0.315 1.00 0.00 C ATOM 360 O GLU A 27 6.763 -10.765 -1.140 1.00 0.00 O ATOM 361 CB GLU A 27 4.113 -11.204 0.103 1.00 0.00 C ATOM 362 CG GLU A 27 3.257 -11.897 1.168 1.00 0.00 C ATOM 363 CD GLU A 27 2.105 -12.711 0.595 1.00 0.00 C ATOM 364 OE1 GLU A 27 1.786 -12.589 -0.609 1.00 0.00 O ATOM 365 OE2 GLU A 27 1.497 -13.487 1.365 1.00 0.00 O ATOM 0 H GLU A 27 3.992 -9.079 1.420 1.00 0.00 H new ATOM 0 HA GLU A 27 5.876 -11.275 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.517 -10.459 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.443 -11.932 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.893 -12.553 1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.856 -11.143 1.845 1.00 0.00 H new ATOM 372 N ARG A 28 6.562 -8.686 -0.334 1.00 0.00 N ATOM 373 CA ARG A 28 7.233 -8.025 -1.442 1.00 0.00 C ATOM 374 C ARG A 28 8.518 -8.718 -1.895 1.00 0.00 C ATOM 375 O ARG A 28 8.704 -8.938 -3.087 1.00 0.00 O ATOM 376 CB ARG A 28 7.424 -6.538 -1.134 1.00 0.00 C ATOM 377 CG ARG A 28 8.233 -6.234 0.123 1.00 0.00 C ATOM 378 CD ARG A 28 8.446 -4.726 0.229 1.00 0.00 C ATOM 379 NE ARG A 28 9.473 -4.401 1.235 1.00 0.00 N ATOM 380 CZ ARG A 28 9.958 -3.174 1.477 1.00 0.00 C ATOM 381 NH1 ARG A 28 9.559 -2.123 0.764 1.00 0.00 N ATOM 382 NH2 ARG A 28 10.916 -2.979 2.382 1.00 0.00 N ATOM 0 H ARG A 28 6.320 -8.056 0.431 1.00 0.00 H new ATOM 0 HA ARG A 28 6.578 -8.108 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.915 -6.067 -1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.442 -6.075 -1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.709 -6.602 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.194 -6.747 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.746 -4.330 -0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.507 -4.241 0.495 1.00 0.00 H new ATOM 0 HE ARG A 28 9.845 -5.171 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.873 -2.243 0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.939 -1.198 0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.293 -3.770 2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.273 -2.039 2.553 1.00 0.00 H new ATOM 396 N VAL A 29 9.387 -9.091 -0.958 1.00 0.00 N ATOM 397 CA VAL A 29 10.621 -9.825 -1.235 1.00 0.00 C ATOM 398 C VAL A 29 10.326 -11.144 -1.952 1.00 0.00 C ATOM 399 O VAL A 29 11.005 -11.497 -2.912 1.00 0.00 O ATOM 400 CB VAL A 29 11.400 -9.991 0.083 1.00 0.00 C ATOM 401 CG1 VAL A 29 11.942 -11.400 0.350 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.560 -8.992 0.154 1.00 0.00 C ATOM 0 H VAL A 29 9.252 -8.888 0.032 1.00 0.00 H new ATOM 0 HA VAL A 29 11.255 -9.266 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 29 10.661 -9.796 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.474 -11.411 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.113 -12.107 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.625 -11.685 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 29 13.098 -9.125 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.239 -9.163 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.169 -7.976 0.101 1.00 0.00 H new ATOM 412 N ALA A 30 9.312 -11.870 -1.479 1.00 0.00 N ATOM 413 CA ALA A 30 8.923 -13.155 -2.046 1.00 0.00 C ATOM 414 C ALA A 30 8.327 -12.963 -3.442 1.00 0.00 C ATOM 415 O ALA A 30 8.666 -13.679 -4.379 1.00 0.00 O ATOM 416 CB ALA A 30 7.938 -13.863 -1.107 1.00 0.00 C ATOM 0 H ALA A 30 8.737 -11.579 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 30 9.806 -13.785 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.651 -14.823 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.411 -14.026 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.050 -13.244 -0.977 1.00 0.00 H new ATOM 422 N ALA A 31 7.421 -11.993 -3.568 1.00 0.00 N ATOM 423 CA ALA A 31 6.723 -11.682 -4.804 1.00 0.00 C ATOM 424 C ALA A 31 7.685 -11.143 -5.867 1.00 0.00 C ATOM 425 O ALA A 31 7.527 -11.442 -7.048 1.00 0.00 O ATOM 426 CB ALA A 31 5.612 -10.672 -4.500 1.00 0.00 C ATOM 0 H ALA A 31 7.149 -11.390 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 31 6.285 -12.594 -5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.079 -10.429 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.916 -11.103 -3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.049 -9.764 -4.084 1.00 0.00 H new ATOM 432 N ALA A 32 8.647 -10.317 -5.441 1.00 0.00 N ATOM 433 CA ALA A 32 9.617 -9.613 -6.271 1.00 0.00 C ATOM 434 C ALA A 32 8.970 -9.049 -7.538 1.00 0.00 C ATOM 435 O ALA A 32 9.398 -9.337 -8.655 1.00 0.00 O ATOM 436 CB ALA A 32 10.819 -10.515 -6.564 1.00 0.00 C ATOM 0 H ALA A 32 8.772 -10.114 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 32 9.989 -8.750 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.535 -9.977 -7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.295 -10.803 -5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.483 -11.409 -7.090 1.00 0.00 H new ATOM 442 N ARG A 33 7.919 -8.243 -7.357 1.00 0.00 N ATOM 443 CA ARG A 33 7.167 -7.690 -8.475 1.00 0.00 C ATOM 444 C ARG A 33 8.072 -6.824 -9.356 1.00 0.00 C ATOM 445 O ARG A 33 9.034 -6.241 -8.859 1.00 0.00 O ATOM 446 CB ARG A 33 5.960 -6.897 -7.959 1.00 0.00 C ATOM 447 CG ARG A 33 4.886 -7.831 -7.418 1.00 0.00 C ATOM 448 CD ARG A 33 3.862 -8.193 -8.483 1.00 0.00 C ATOM 449 NE ARG A 33 2.990 -7.042 -8.774 1.00 0.00 N ATOM 450 CZ ARG A 33 2.694 -6.537 -9.981 1.00 0.00 C ATOM 451 NH1 ARG A 33 2.915 -7.257 -11.086 1.00 0.00 N ATOM 452 NH2 ARG A 33 2.186 -5.309 -10.073 1.00 0.00 N ATOM 0 H ARG A 33 7.573 -7.961 -6.440 1.00 0.00 H new ATOM 0 HA ARG A 33 6.794 -8.508 -9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.279 -6.211 -7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.547 -6.290 -8.765 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.353 -8.740 -7.039 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.382 -7.356 -6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.372 -8.510 -9.393 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.260 -9.036 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 33 2.565 -6.579 -7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.310 -8.194 -11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.688 -6.869 -12.002 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.025 -4.759 -9.229 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.959 -4.918 -10.987 1.00 0.00 H new ATOM 466 N PRO A 34 7.780 -6.740 -10.659 1.00 0.00 N ATOM 467 CA PRO A 34 8.601 -6.012 -11.608 1.00 0.00 C ATOM 468 C PRO A 34 8.535 -4.506 -11.343 1.00 0.00 C ATOM 469 O PRO A 34 7.490 -3.984 -10.961 1.00 0.00 O ATOM 470 CB PRO A 34 8.031 -6.369 -12.984 1.00 0.00 C ATOM 471 CG PRO A 34 6.563 -6.688 -12.689 1.00 0.00 C ATOM 472 CD PRO A 34 6.625 -7.336 -11.306 1.00 0.00 C ATOM 0 HA PRO A 34 9.655 -6.279 -11.532 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.129 -5.541 -13.686 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.547 -7.223 -13.423 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.947 -5.789 -12.686 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.139 -7.363 -13.433 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.714 -7.144 -10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.731 -8.418 -11.382 1.00 0.00 H new ATOM 480 N GLY A 35 9.654 -3.813 -11.579 1.00 0.00 N ATOM 481 CA GLY A 35 9.752 -2.365 -11.481 1.00 0.00 C ATOM 482 C GLY A 35 11.079 -1.950 -10.854 1.00 0.00 C ATOM 483 O GLY A 35 11.892 -1.295 -11.499 1.00 0.00 O ATOM 0 H GLY A 35 10.531 -4.258 -11.849 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.660 -1.922 -12.473 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.926 -1.980 -10.882 1.00 0.00 H new ATOM 487 N LEU A 36 11.285 -2.327 -9.592 1.00 0.00 N ATOM 488 CA LEU A 36 12.425 -1.953 -8.757 1.00 0.00 C ATOM 489 C LEU A 36 12.585 -3.094 -7.742 1.00 0.00 C ATOM 490 O LEU A 36 11.684 -3.929 -7.646 1.00 0.00 O ATOM 491 CB LEU A 36 12.136 -0.590 -8.097 1.00 0.00 C ATOM 492 CG LEU A 36 13.175 0.523 -8.326 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.396 0.854 -9.806 1.00 0.00 C ATOM 494 CD2 LEU A 36 12.704 1.789 -7.602 1.00 0.00 C ATOM 0 H LEU A 36 10.627 -2.932 -9.100 1.00 0.00 H new ATOM 0 HA LEU A 36 13.354 -1.829 -9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.171 -0.235 -8.459 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.036 -0.746 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 36 14.126 0.161 -7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.140 1.646 -9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.748 -0.035 -10.329 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.457 1.187 -10.248 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.430 2.587 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.737 2.097 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.609 1.584 -6.536 1.00 0.00 H new ATOM 506 N PRO A 37 13.700 -3.187 -7.005 1.00 0.00 N ATOM 507 CA PRO A 37 13.967 -4.312 -6.127 1.00 0.00 C ATOM 508 C PRO A 37 13.023 -4.228 -4.923 1.00 0.00 C ATOM 509 O PRO A 37 12.593 -3.128 -4.561 1.00 0.00 O ATOM 510 CB PRO A 37 15.450 -4.197 -5.765 1.00 0.00 C ATOM 511 CG PRO A 37 15.742 -2.700 -5.870 1.00 0.00 C ATOM 512 CD PRO A 37 14.691 -2.146 -6.837 1.00 0.00 C ATOM 0 HA PRO A 37 13.785 -5.288 -6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.646 -4.572 -4.761 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.073 -4.774 -6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.672 -2.217 -4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.751 -2.522 -6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.237 -1.239 -6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.144 -1.883 -7.793 1.00 0.00 H new ATOM 520 N PRO A 38 12.648 -5.370 -4.323 1.00 0.00 N ATOM 521 CA PRO A 38 11.482 -5.462 -3.463 1.00 0.00 C ATOM 522 C PRO A 38 11.528 -4.430 -2.347 1.00 0.00 C ATOM 523 O PRO A 38 10.539 -3.752 -2.095 1.00 0.00 O ATOM 524 CB PRO A 38 11.413 -6.904 -2.952 1.00 0.00 C ATOM 525 CG PRO A 38 12.794 -7.486 -3.251 1.00 0.00 C ATOM 526 CD PRO A 38 13.308 -6.660 -4.430 1.00 0.00 C ATOM 0 HA PRO A 38 10.570 -5.231 -4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.192 -6.936 -1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.628 -7.466 -3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.456 -7.402 -2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.733 -8.544 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.392 -6.550 -4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.073 -7.143 -5.379 1.00 0.00 H new ATOM 534 N GLU A 39 12.678 -4.255 -1.703 1.00 0.00 N ATOM 535 CA GLU A 39 12.738 -3.391 -0.544 1.00 0.00 C ATOM 536 C GLU A 39 12.453 -1.910 -0.843 1.00 0.00 C ATOM 537 O GLU A 39 11.953 -1.198 0.038 1.00 0.00 O ATOM 538 CB GLU A 39 13.973 -3.701 0.297 1.00 0.00 C ATOM 539 CG GLU A 39 13.903 -5.153 0.819 1.00 0.00 C ATOM 540 CD GLU A 39 12.715 -5.350 1.761 1.00 0.00 C ATOM 541 OE1 GLU A 39 12.759 -4.776 2.872 1.00 0.00 O ATOM 542 OE2 GLU A 39 11.677 -5.889 1.322 1.00 0.00 O ATOM 0 H GLU A 39 13.562 -4.693 -1.962 1.00 0.00 H new ATOM 0 HA GLU A 39 11.892 -3.628 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.874 -3.563 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.037 -3.007 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.820 -5.840 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.828 -5.399 1.341 1.00 0.00 H new ATOM 549 N GLU A 40 12.644 -1.463 -2.088 1.00 0.00 N ATOM 550 CA GLU A 40 12.239 -0.123 -2.500 1.00 0.00 C ATOM 551 C GLU A 40 10.729 -0.026 -2.753 1.00 0.00 C ATOM 552 O GLU A 40 10.192 1.078 -2.838 1.00 0.00 O ATOM 553 CB GLU A 40 13.001 0.293 -3.760 1.00 0.00 C ATOM 554 CG GLU A 40 14.509 0.407 -3.514 1.00 0.00 C ATOM 555 CD GLU A 40 15.204 1.009 -4.729 1.00 0.00 C ATOM 556 OE1 GLU A 40 14.841 2.155 -5.068 1.00 0.00 O ATOM 557 OE2 GLU A 40 16.061 0.308 -5.305 1.00 0.00 O ATOM 0 H GLU A 40 13.079 -2.015 -2.828 1.00 0.00 H new ATOM 0 HA GLU A 40 12.481 0.554 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.818 -0.435 -4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.619 1.251 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.694 1.027 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.924 -0.578 -3.301 1.00 0.00 H new ATOM 564 N GLN A 41 10.030 -1.152 -2.906 1.00 0.00 N ATOM 565 CA GLN A 41 8.628 -1.165 -3.288 1.00 0.00 C ATOM 566 C GLN A 41 7.753 -0.816 -2.091 1.00 0.00 C ATOM 567 O GLN A 41 7.787 -1.521 -1.083 1.00 0.00 O ATOM 568 CB GLN A 41 8.222 -2.548 -3.807 1.00 0.00 C ATOM 569 CG GLN A 41 9.090 -3.025 -4.973 1.00 0.00 C ATOM 570 CD GLN A 41 8.564 -4.317 -5.589 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.513 -4.829 -5.205 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.300 -4.848 -6.554 1.00 0.00 N ATOM 0 H GLN A 41 10.427 -2.081 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 41 8.489 -0.426 -4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.288 -3.270 -2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.180 -2.520 -4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.128 -2.249 -5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.111 -3.180 -4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.166 -4.393 -6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.001 -5.712 -7.007 1.00 0.00 H new ATOM 581 N HIS A 42 6.933 0.226 -2.198 1.00 0.00 N ATOM 582 CA HIS A 42 5.847 0.474 -1.261 1.00 0.00 C ATOM 583 C HIS A 42 4.847 1.439 -1.900 1.00 0.00 C ATOM 584 O HIS A 42 5.151 2.012 -2.948 1.00 0.00 O ATOM 585 CB HIS A 42 6.375 0.929 0.117 1.00 0.00 C ATOM 586 CG HIS A 42 7.723 1.601 0.161 1.00 0.00 C ATOM 587 ND1 HIS A 42 8.244 2.444 -0.797 1.00 0.00 N ATOM 588 CD2 HIS A 42 8.679 1.407 1.120 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.505 2.744 -0.443 1.00 0.00 C ATOM 590 NE2 HIS A 42 9.790 2.129 0.722 1.00 0.00 N ATOM 0 H HIS A 42 7.005 0.923 -2.940 1.00 0.00 H new ATOM 0 HA HIS A 42 5.314 -0.454 -1.053 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.644 1.614 0.547 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.414 0.055 0.767 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.758 2.781 -1.628 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.585 0.807 2.013 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.180 3.375 -1.001 1.00 0.00 H new ATOM 599 N CYS A 43 3.665 1.599 -1.298 1.00 0.00 N ATOM 600 CA CYS A 43 2.589 2.452 -1.785 1.00 0.00 C ATOM 601 C CYS A 43 3.135 3.844 -2.145 1.00 0.00 C ATOM 602 O CYS A 43 2.791 4.417 -3.177 1.00 0.00 O ATOM 603 CB CYS A 43 1.468 2.516 -0.774 1.00 0.00 C ATOM 604 SG CYS A 43 0.702 0.897 -0.432 1.00 0.00 S ATOM 0 H CYS A 43 3.428 1.120 -0.429 1.00 0.00 H new ATOM 0 HA CYS A 43 2.172 2.023 -2.696 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.853 2.931 0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.702 3.202 -1.136 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.476 1.075 0.089 1.00 0.00 H new ATOM 609 N ALA A 44 4.051 4.361 -1.315 1.00 0.00 N ATOM 610 CA ALA A 44 4.821 5.582 -1.539 1.00 0.00 C ATOM 611 C ALA A 44 5.210 5.783 -3.007 1.00 0.00 C ATOM 612 O ALA A 44 5.103 6.892 -3.529 1.00 0.00 O ATOM 613 CB ALA A 44 6.093 5.547 -0.686 1.00 0.00 C ATOM 0 H ALA A 44 4.283 3.914 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 44 4.181 6.417 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.668 6.458 -0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.823 5.476 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.695 4.682 -0.965 1.00 0.00 H new ATOM 619 N ASN A 45 5.695 4.720 -3.654 1.00 0.00 N ATOM 620 CA ASN A 45 6.132 4.718 -5.044 1.00 0.00 C ATOM 621 C ASN A 45 5.337 3.689 -5.847 1.00 0.00 C ATOM 622 O ASN A 45 5.908 3.016 -6.707 1.00 0.00 O ATOM 623 CB ASN A 45 7.656 4.510 -5.140 1.00 0.00 C ATOM 624 CG ASN A 45 8.186 3.239 -4.466 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.660 2.777 -3.455 1.00 0.00 O ATOM 626 ND2 ASN A 45 9.291 2.690 -4.952 1.00 0.00 N ATOM 0 H ASN A 45 5.796 3.809 -3.206 1.00 0.00 H new ATOM 0 HA ASN A 45 5.928 5.693 -5.487 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.938 4.488 -6.193 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.153 5.372 -4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.706 1.883 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.725 3.075 -5.791 1.00 0.00 H new ATOM 633 N CYS A 46 4.023 3.612 -5.608 1.00 0.00 N ATOM 634 CA CYS A 46 3.102 2.732 -6.316 1.00 0.00 C ATOM 635 C CYS A 46 2.191 3.510 -7.279 1.00 0.00 C ATOM 636 O CYS A 46 1.767 4.637 -7.008 1.00 0.00 O ATOM 637 CB CYS A 46 2.283 1.984 -5.314 1.00 0.00 C ATOM 638 SG CYS A 46 1.201 0.792 -6.120 1.00 0.00 S ATOM 0 H CYS A 46 3.563 4.179 -4.895 1.00 0.00 H new ATOM 0 HA CYS A 46 3.683 2.036 -6.921 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.941 1.468 -4.615 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.686 2.686 -4.731 1.00 0.00 H new ATOM 0 HG CYS A 46 0.383 1.416 -6.914 1.00 0.00 H new ATOM 643 N GLN A 47 1.894 2.905 -8.426 1.00 0.00 N ATOM 644 CA GLN A 47 1.022 3.452 -9.441 1.00 0.00 C ATOM 645 C GLN A 47 -0.391 3.622 -8.880 1.00 0.00 C ATOM 646 O GLN A 47 -0.937 2.727 -8.240 1.00 0.00 O ATOM 647 CB GLN A 47 1.048 2.543 -10.676 1.00 0.00 C ATOM 648 CG GLN A 47 0.639 3.325 -11.924 1.00 0.00 C ATOM 649 CD GLN A 47 0.718 2.470 -13.185 1.00 0.00 C ATOM 650 OE1 GLN A 47 0.408 1.284 -13.170 1.00 0.00 O ATOM 651 NE2 GLN A 47 1.150 3.061 -14.294 1.00 0.00 N ATOM 0 H GLN A 47 2.270 1.990 -8.675 1.00 0.00 H new ATOM 0 HA GLN A 47 1.371 4.439 -9.744 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.048 2.130 -10.810 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.372 1.701 -10.529 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.378 3.697 -11.801 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.286 4.195 -12.035 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.402 4.049 -14.280 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.230 2.526 -15.159 1.00 0.00 H new ATOM 660 N PHE A 48 -0.972 4.797 -9.113 1.00 0.00 N ATOM 661 CA PHE A 48 -2.293 5.190 -8.653 1.00 0.00 C ATOM 662 C PHE A 48 -2.361 5.345 -7.131 1.00 0.00 C ATOM 663 O PHE A 48 -3.459 5.395 -6.577 1.00 0.00 O ATOM 664 CB PHE A 48 -3.387 4.248 -9.176 1.00 0.00 C ATOM 665 CG PHE A 48 -3.180 3.691 -10.572 1.00 0.00 C ATOM 666 CD1 PHE A 48 -3.262 4.529 -11.699 1.00 0.00 C ATOM 667 CD2 PHE A 48 -2.878 2.327 -10.736 1.00 0.00 C ATOM 668 CE1 PHE A 48 -3.021 4.006 -12.983 1.00 0.00 C ATOM 669 CE2 PHE A 48 -2.594 1.813 -12.012 1.00 0.00 C ATOM 670 CZ PHE A 48 -2.678 2.650 -13.139 1.00 0.00 C ATOM 0 H PHE A 48 -0.511 5.530 -9.652 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.485 6.176 -9.077 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.479 3.411 -8.483 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.337 4.782 -9.158 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.510 5.573 -11.579 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.864 1.672 -9.877 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.099 4.646 -13.850 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.312 0.777 -12.127 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.479 2.253 -14.123 1.00 0.00 H new ATOM 680 N MET A 49 -1.221 5.482 -6.442 1.00 0.00 N ATOM 681 CA MET A 49 -1.234 6.034 -5.097 1.00 0.00 C ATOM 682 C MET A 49 -1.456 7.541 -5.228 1.00 0.00 C ATOM 683 O MET A 49 -0.674 8.209 -5.913 1.00 0.00 O ATOM 684 CB MET A 49 0.061 5.678 -4.360 1.00 0.00 C ATOM 685 CG MET A 49 0.019 6.125 -2.891 1.00 0.00 C ATOM 686 SD MET A 49 0.282 7.887 -2.554 1.00 0.00 S ATOM 687 CE MET A 49 1.959 8.121 -3.182 1.00 0.00 C ATOM 0 H MET A 49 -0.299 5.222 -6.792 1.00 0.00 H new ATOM 0 HA MET A 49 -2.038 5.610 -4.496 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.223 4.601 -4.408 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.906 6.150 -4.860 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.950 5.843 -2.480 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.774 5.560 -2.344 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.371 9.048 -2.783 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.584 7.283 -2.872 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.936 8.173 -4.271 1.00 0.00 H new ATOM 697 N GLN A 50 -2.536 8.051 -4.631 1.00 0.00 N ATOM 698 CA GLN A 50 -2.961 9.441 -4.707 1.00 0.00 C ATOM 699 C GLN A 50 -2.716 10.104 -3.349 1.00 0.00 C ATOM 700 O GLN A 50 -3.122 9.568 -2.315 1.00 0.00 O ATOM 701 CB GLN A 50 -4.452 9.481 -5.061 1.00 0.00 C ATOM 702 CG GLN A 50 -4.750 8.793 -6.404 1.00 0.00 C ATOM 703 CD GLN A 50 -6.204 8.352 -6.500 1.00 0.00 C ATOM 704 OE1 GLN A 50 -6.925 8.732 -7.418 1.00 0.00 O ATOM 705 NE2 GLN A 50 -6.646 7.505 -5.577 1.00 0.00 N ATOM 0 H GLN A 50 -3.159 7.480 -4.060 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.399 9.976 -5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.024 8.995 -4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.786 10.518 -5.104 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.522 9.477 -7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.098 7.927 -6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.028 7.204 -4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.603 7.156 -5.622 1.00 0.00 H new ATOM 714 N ALA A 51 -2.053 11.261 -3.340 1.00 0.00 N ATOM 715 CA ALA A 51 -1.791 12.036 -2.127 1.00 0.00 C ATOM 716 C ALA A 51 -2.827 13.143 -1.936 1.00 0.00 C ATOM 717 O ALA A 51 -3.159 13.513 -0.814 1.00 0.00 O ATOM 718 CB ALA A 51 -0.368 12.592 -2.154 1.00 0.00 C ATOM 0 H ALA A 51 -1.678 11.691 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.879 11.371 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.185 13.167 -1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.343 11.768 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.246 13.238 -3.023 1.00 0.00 H new ATOM 724 N ASP A 52 -3.353 13.628 -3.057 1.00 0.00 N ATOM 725 CA ASP A 52 -4.495 14.511 -3.215 1.00 0.00 C ATOM 726 C ASP A 52 -5.787 13.918 -2.637 1.00 0.00 C ATOM 727 O ASP A 52 -6.742 14.658 -2.406 1.00 0.00 O ATOM 728 CB ASP A 52 -4.662 14.755 -4.723 1.00 0.00 C ATOM 729 CG ASP A 52 -4.730 13.439 -5.495 1.00 0.00 C ATOM 730 OD1 ASP A 52 -3.675 12.758 -5.516 1.00 0.00 O ATOM 731 OD2 ASP A 52 -5.828 13.112 -5.987 1.00 0.00 O ATOM 0 H ASP A 52 -2.948 13.387 -3.962 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.313 15.435 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.570 15.331 -4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.828 15.352 -5.091 1.00 0.00 H new ATOM 736 N ALA A 53 -5.835 12.601 -2.414 1.00 0.00 N ATOM 737 CA ALA A 53 -7.009 11.902 -1.911 1.00 0.00 C ATOM 738 C ALA A 53 -7.516 12.530 -0.610 1.00 0.00 C ATOM 739 O ALA A 53 -6.919 12.336 0.447 1.00 0.00 O ATOM 740 CB ALA A 53 -6.662 10.426 -1.704 1.00 0.00 C ATOM 0 H ALA A 53 -5.041 11.984 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.812 11.987 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.537 9.896 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.353 9.988 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.848 10.341 -0.984 1.00 0.00 H new ATOM 746 N ALA A 54 -8.626 13.273 -0.681 1.00 0.00 N ATOM 747 CA ALA A 54 -9.236 13.910 0.476 1.00 0.00 C ATOM 748 C ALA A 54 -9.406 12.899 1.613 1.00 0.00 C ATOM 749 O ALA A 54 -10.018 11.851 1.422 1.00 0.00 O ATOM 750 CB ALA A 54 -10.585 14.519 0.089 1.00 0.00 C ATOM 0 H ALA A 54 -9.125 13.446 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.582 14.709 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.034 14.993 0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.437 15.264 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.247 13.734 -0.278 1.00 0.00 H new ATOM 756 N GLY A 55 -8.835 13.210 2.779 1.00 0.00 N ATOM 757 CA GLY A 55 -8.773 12.306 3.918 1.00 0.00 C ATOM 758 C GLY A 55 -7.337 11.877 4.216 1.00 0.00 C ATOM 759 O GLY A 55 -7.029 11.567 5.363 1.00 0.00 O ATOM 0 H GLY A 55 -8.397 14.114 2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.197 12.795 4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.383 11.425 3.718 1.00 0.00 H new ATOM 763 N ALA A 56 -6.463 11.849 3.200 1.00 0.00 N ATOM 764 CA ALA A 56 -5.045 11.551 3.346 1.00 0.00 C ATOM 765 C ALA A 56 -4.432 12.368 4.490 1.00 0.00 C ATOM 766 O ALA A 56 -4.746 13.549 4.632 1.00 0.00 O ATOM 767 CB ALA A 56 -4.337 11.845 2.017 1.00 0.00 C ATOM 0 H ALA A 56 -6.736 12.038 2.236 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.917 10.498 3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.274 11.625 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.765 11.223 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.468 12.896 1.760 1.00 0.00 H new ATOM 773 N THR A 57 -3.576 11.738 5.301 1.00 0.00 N ATOM 774 CA THR A 57 -2.952 12.375 6.461 1.00 0.00 C ATOM 775 C THR A 57 -1.426 12.348 6.345 1.00 0.00 C ATOM 776 O THR A 57 -0.885 12.587 5.264 1.00 0.00 O ATOM 777 CB THR A 57 -3.517 11.848 7.797 1.00 0.00 C ATOM 778 OG1 THR A 57 -2.980 10.593 8.143 1.00 0.00 O ATOM 779 CG2 THR A 57 -5.036 11.689 7.789 1.00 0.00 C ATOM 0 H THR A 57 -3.296 10.766 5.169 1.00 0.00 H new ATOM 0 HA THR A 57 -3.224 13.431 6.465 1.00 0.00 H new ATOM 0 HB THR A 57 -3.230 12.608 8.524 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.363 10.297 8.995 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.368 11.315 8.758 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.502 12.655 7.594 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.324 10.983 7.010 1.00 0.00 H new ATOM 787 N ASP A 58 -0.718 12.097 7.446 1.00 0.00 N ATOM 788 CA ASP A 58 0.707 12.230 7.573 1.00 0.00 C ATOM 789 C ASP A 58 1.314 11.084 6.760 1.00 0.00 C ATOM 790 O ASP A 58 1.855 11.298 5.672 1.00 0.00 O ATOM 791 CB ASP A 58 1.139 12.210 9.064 1.00 0.00 C ATOM 792 CG ASP A 58 0.132 12.494 10.186 1.00 0.00 C ATOM 793 OD1 ASP A 58 -1.080 12.649 9.917 1.00 0.00 O ATOM 794 OD2 ASP A 58 0.550 12.361 11.357 1.00 0.00 O ATOM 0 H ASP A 58 -1.159 11.780 8.309 1.00 0.00 H new ATOM 0 HA ASP A 58 1.062 13.187 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.564 11.225 9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.947 12.933 9.171 1.00 0.00 H new ATOM 799 N GLU A 59 1.137 9.845 7.224 1.00 0.00 N ATOM 800 CA GLU A 59 1.677 8.660 6.607 1.00 0.00 C ATOM 801 C GLU A 59 0.683 8.074 5.610 1.00 0.00 C ATOM 802 O GLU A 59 1.009 7.094 4.945 1.00 0.00 O ATOM 803 CB GLU A 59 1.947 7.618 7.697 1.00 0.00 C ATOM 804 CG GLU A 59 2.631 8.129 8.979 1.00 0.00 C ATOM 805 CD GLU A 59 1.633 8.556 10.049 1.00 0.00 C ATOM 806 OE1 GLU A 59 0.522 8.995 9.675 1.00 0.00 O ATOM 807 OE2 GLU A 59 1.949 8.480 11.256 1.00 0.00 O ATOM 0 H GLU A 59 0.596 9.647 8.065 1.00 0.00 H new ATOM 0 HA GLU A 59 2.596 8.922 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.997 7.161 7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.567 6.830 7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.274 7.345 9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.274 8.973 8.731 1.00 0.00 H new ATOM 814 N TRP A 60 -0.543 8.606 5.559 1.00 0.00 N ATOM 815 CA TRP A 60 -1.674 7.864 5.029 1.00 0.00 C ATOM 816 C TRP A 60 -2.199 8.485 3.750 1.00 0.00 C ATOM 817 O TRP A 60 -2.467 9.685 3.729 1.00 0.00 O ATOM 818 CB TRP A 60 -2.754 7.787 6.093 1.00 0.00 C ATOM 819 CG TRP A 60 -2.305 7.091 7.326 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.714 7.694 8.373 1.00 0.00 C ATOM 821 CD2 TRP A 60 -2.355 5.671 7.653 1.00 0.00 C ATOM 822 NE1 TRP A 60 -1.391 6.757 9.323 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.806 5.500 8.956 1.00 0.00 C ATOM 824 CE3 TRP A 60 -2.835 4.517 7.001 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -1.787 4.263 9.606 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -2.785 3.258 7.630 1.00 0.00 C ATOM 827 CH2 TRP A 60 -2.309 3.139 8.950 1.00 0.00 C ATOM 0 H TRP A 60 -0.769 9.547 5.880 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.350 6.856 4.772 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -3.077 8.796 6.349 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.622 7.269 5.685 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.523 8.754 8.454 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.903 6.968 10.194 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.247 4.600 6.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.376 4.174 10.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.114 2.378 7.097 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.346 2.185 9.455 1.00 0.00 H new ATOM 838 N LYS A 61 -2.304 7.678 2.691 1.00 0.00 N ATOM 839 CA LYS A 61 -2.622 8.143 1.346 1.00 0.00 C ATOM 840 C LYS A 61 -3.606 7.207 0.626 1.00 0.00 C ATOM 841 O LYS A 61 -3.925 6.121 1.108 1.00 0.00 O ATOM 842 CB LYS A 61 -1.326 8.357 0.541 1.00 0.00 C ATOM 843 CG LYS A 61 -0.772 9.787 0.628 1.00 0.00 C ATOM 844 CD LYS A 61 0.151 10.102 1.816 1.00 0.00 C ATOM 845 CE LYS A 61 -0.143 11.516 2.344 1.00 0.00 C ATOM 846 NZ LYS A 61 0.798 11.973 3.388 1.00 0.00 N ATOM 0 H LYS A 61 -2.168 6.669 2.749 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.132 9.103 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.568 7.661 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.514 8.113 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.225 9.996 -0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.615 10.477 0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.001 9.369 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.194 10.029 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.114 12.218 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.156 11.540 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.306 12.615 4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.158 11.152 3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.593 12.475 2.943 1.00 0.00 H new ATOM 860 N GLY A 62 -4.120 7.665 -0.520 1.00 0.00 N ATOM 861 CA GLY A 62 -5.248 7.065 -1.218 1.00 0.00 C ATOM 862 C GLY A 62 -4.817 6.178 -2.383 1.00 0.00 C ATOM 863 O GLY A 62 -4.761 6.634 -3.528 1.00 0.00 O ATOM 0 H GLY A 62 -3.748 8.487 -0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.833 6.473 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.901 7.854 -1.590 1.00 0.00 H new ATOM 867 N CYS A 63 -4.565 4.897 -2.112 1.00 0.00 N ATOM 868 CA CYS A 63 -4.445 3.893 -3.160 1.00 0.00 C ATOM 869 C CYS A 63 -5.749 3.854 -3.962 1.00 0.00 C ATOM 870 O CYS A 63 -6.809 3.560 -3.409 1.00 0.00 O ATOM 871 CB CYS A 63 -4.134 2.556 -2.546 1.00 0.00 C ATOM 872 SG CYS A 63 -4.070 1.307 -3.847 1.00 0.00 S ATOM 0 H CYS A 63 -4.440 4.532 -1.168 1.00 0.00 H new ATOM 0 HA CYS A 63 -3.629 4.146 -3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.181 2.598 -2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.895 2.294 -1.811 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.799 0.148 -3.323 1.00 0.00 H new ATOM 877 N GLN A 64 -5.700 4.189 -5.254 1.00 0.00 N ATOM 878 CA GLN A 64 -6.901 4.315 -6.069 1.00 0.00 C ATOM 879 C GLN A 64 -7.712 3.018 -6.105 1.00 0.00 C ATOM 880 O GLN A 64 -8.940 3.055 -6.133 1.00 0.00 O ATOM 881 CB GLN A 64 -6.520 4.795 -7.474 1.00 0.00 C ATOM 882 CG GLN A 64 -7.726 5.393 -8.201 1.00 0.00 C ATOM 883 CD GLN A 64 -7.346 5.855 -9.603 1.00 0.00 C ATOM 884 OE1 GLN A 64 -7.361 5.071 -10.544 1.00 0.00 O ATOM 885 NE2 GLN A 64 -6.991 7.127 -9.757 1.00 0.00 N ATOM 0 H GLN A 64 -4.833 4.378 -5.757 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.552 5.060 -5.612 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.728 5.541 -7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.122 3.960 -8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.522 4.651 -8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.118 6.235 -7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.988 7.756 -8.954 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.721 7.473 -10.678 1.00 0.00 H new ATOM 894 N LEU A 65 -7.035 1.867 -6.071 1.00 0.00 N ATOM 895 CA LEU A 65 -7.690 0.564 -6.060 1.00 0.00 C ATOM 896 C LEU A 65 -8.281 0.233 -4.681 1.00 0.00 C ATOM 897 O LEU A 65 -8.856 -0.842 -4.512 1.00 0.00 O ATOM 898 CB LEU A 65 -6.695 -0.527 -6.496 1.00 0.00 C ATOM 899 CG LEU A 65 -6.247 -0.502 -7.972 1.00 0.00 C ATOM 900 CD1 LEU A 65 -7.431 -0.583 -8.943 1.00 0.00 C ATOM 901 CD2 LEU A 65 -5.360 0.694 -8.334 1.00 0.00 C ATOM 0 H LEU A 65 -6.016 1.816 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.519 0.600 -6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.807 -0.449 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.144 -1.499 -6.293 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.637 -1.399 -8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.063 -0.562 -9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.978 -1.510 -8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.095 0.266 -8.779 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.088 0.639 -9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.904 1.620 -8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.457 0.675 -7.724 1.00 0.00 H new ATOM 913 N PHE A 66 -8.153 1.129 -3.695 1.00 0.00 N ATOM 914 CA PHE A 66 -8.473 0.887 -2.295 1.00 0.00 C ATOM 915 C PHE A 66 -9.443 1.974 -1.808 1.00 0.00 C ATOM 916 O PHE A 66 -9.091 2.797 -0.965 1.00 0.00 O ATOM 917 CB PHE A 66 -7.133 0.874 -1.530 1.00 0.00 C ATOM 918 CG PHE A 66 -6.909 -0.267 -0.564 1.00 0.00 C ATOM 919 CD1 PHE A 66 -7.911 -0.657 0.342 1.00 0.00 C ATOM 920 CD2 PHE A 66 -5.660 -0.916 -0.552 1.00 0.00 C ATOM 921 CE1 PHE A 66 -7.690 -1.757 1.186 1.00 0.00 C ATOM 922 CE2 PHE A 66 -5.442 -2.013 0.295 1.00 0.00 C ATOM 923 CZ PHE A 66 -6.483 -2.472 1.119 1.00 0.00 C ATOM 0 H PHE A 66 -7.811 2.075 -3.863 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.976 -0.066 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.325 0.863 -2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.049 1.809 -0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.844 -0.114 0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.867 -0.568 -1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.452 -2.055 1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.479 -2.502 0.313 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.355 -3.373 1.700 1.00 0.00 H new ATOM 933 N PRO A 67 -10.671 2.017 -2.346 1.00 0.00 N ATOM 934 CA PRO A 67 -11.552 3.162 -2.193 1.00 0.00 C ATOM 935 C PRO A 67 -12.033 3.325 -0.752 1.00 0.00 C ATOM 936 O PRO A 67 -12.178 2.352 -0.012 1.00 0.00 O ATOM 937 CB PRO A 67 -12.717 2.920 -3.156 1.00 0.00 C ATOM 938 CG PRO A 67 -12.751 1.398 -3.299 1.00 0.00 C ATOM 939 CD PRO A 67 -11.276 1.007 -3.196 1.00 0.00 C ATOM 0 HA PRO A 67 -11.032 4.092 -2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.655 3.307 -2.757 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.553 3.410 -4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.347 0.933 -2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.184 1.092 -4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.162 0.012 -2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.805 0.986 -4.179 1.00 0.00 H new ATOM 947 N GLY A 68 -12.262 4.576 -0.344 1.00 0.00 N ATOM 948 CA GLY A 68 -12.777 4.943 0.969 1.00 0.00 C ATOM 949 C GLY A 68 -11.688 4.897 2.040 1.00 0.00 C ATOM 950 O GLY A 68 -11.571 5.804 2.862 1.00 0.00 O ATOM 0 H GLY A 68 -12.087 5.384 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.201 5.946 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.586 4.266 1.244 1.00 0.00 H new ATOM 954 N LYS A 69 -10.908 3.818 2.040 1.00 0.00 N ATOM 955 CA LYS A 69 -9.837 3.595 2.997 1.00 0.00 C ATOM 956 C LYS A 69 -8.590 4.388 2.557 1.00 0.00 C ATOM 957 O LYS A 69 -8.557 4.936 1.458 1.00 0.00 O ATOM 958 CB LYS A 69 -9.536 2.090 3.111 1.00 0.00 C ATOM 959 CG LYS A 69 -10.759 1.191 2.852 1.00 0.00 C ATOM 960 CD LYS A 69 -10.581 -0.216 3.442 1.00 0.00 C ATOM 961 CE LYS A 69 -11.545 -1.215 2.776 1.00 0.00 C ATOM 962 NZ LYS A 69 -11.356 -2.588 3.289 1.00 0.00 N ATOM 0 H LYS A 69 -11.008 3.063 1.361 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.140 3.947 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.750 1.831 2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.148 1.881 4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.646 1.654 3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.930 1.114 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.552 -0.547 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.762 -0.190 4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.573 -0.900 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.389 -1.206 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.708 -3.272 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.345 -2.758 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.882 -2.702 4.179 1.00 0.00 H new ATOM 976 N LEU A 70 -7.557 4.435 3.401 1.00 0.00 N ATOM 977 CA LEU A 70 -6.260 5.030 3.101 1.00 0.00 C ATOM 978 C LEU A 70 -5.178 4.014 3.450 1.00 0.00 C ATOM 979 O LEU A 70 -5.181 3.477 4.559 1.00 0.00 O ATOM 980 CB LEU A 70 -6.043 6.288 3.948 1.00 0.00 C ATOM 981 CG LEU A 70 -7.027 7.420 3.632 1.00 0.00 C ATOM 982 CD1 LEU A 70 -7.005 8.417 4.791 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.682 8.134 2.321 1.00 0.00 C ATOM 0 H LEU A 70 -7.606 4.046 4.343 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.219 5.301 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.131 6.025 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.026 6.649 3.793 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.022 6.992 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.700 9.231 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.301 7.912 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.999 8.820 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.406 8.928 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.683 8.563 2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.712 7.419 1.499 1.00 0.00 H new ATOM 995 N ILE A 71 -4.251 3.755 2.529 1.00 0.00 N ATOM 996 CA ILE A 71 -3.083 2.940 2.825 1.00 0.00 C ATOM 997 C ILE A 71 -2.075 3.788 3.582 1.00 0.00 C ATOM 998 O ILE A 71 -2.203 5.012 3.617 1.00 0.00 O ATOM 999 CB ILE A 71 -2.486 2.331 1.545 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -2.162 3.310 0.401 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -3.474 1.284 1.021 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -1.097 4.370 0.691 1.00 0.00 C ATOM 0 H ILE A 71 -4.290 4.101 1.570 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.373 2.097 3.452 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.520 1.922 1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.839 2.730 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.083 3.820 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.078 0.833 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.619 0.511 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.429 1.762 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.959 4.997 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.418 4.988 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.155 3.881 0.940 1.00 0.00 H new ATOM 1014 N ASN A 72 -1.063 3.155 4.174 1.00 0.00 N ATOM 1015 CA ASN A 72 0.102 3.868 4.664 1.00 0.00 C ATOM 1016 C ASN A 72 1.147 3.838 3.555 1.00 0.00 C ATOM 1017 O ASN A 72 1.406 2.765 3.016 1.00 0.00 O ATOM 1018 CB ASN A 72 0.627 3.183 5.928 1.00 0.00 C ATOM 1019 CG ASN A 72 1.696 4.030 6.607 1.00 0.00 C ATOM 1020 OD1 ASN A 72 2.731 4.336 6.019 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.453 4.418 7.856 1.00 0.00 N ATOM 0 H ASN A 72 -1.032 2.146 4.323 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.141 4.899 4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.197 3.009 6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.040 2.207 5.672 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.136 4.987 8.355 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.583 4.146 8.314 1.00 0.00 H new ATOM 1028 N VAL A 73 1.749 4.981 3.210 1.00 0.00 N ATOM 1029 CA VAL A 73 2.759 5.083 2.152 1.00 0.00 C ATOM 1030 C VAL A 73 3.835 4.012 2.289 1.00 0.00 C ATOM 1031 O VAL A 73 4.348 3.484 1.307 1.00 0.00 O ATOM 1032 CB VAL A 73 3.421 6.471 2.157 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.373 7.536 1.883 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.176 6.818 3.451 1.00 0.00 C ATOM 0 H VAL A 73 1.546 5.872 3.663 1.00 0.00 H new ATOM 0 HA VAL A 73 2.239 4.932 1.206 1.00 0.00 H new ATOM 0 HB VAL A 73 4.174 6.442 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.844 8.519 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.917 7.356 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.605 7.498 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.610 7.814 3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.484 6.796 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.970 6.090 3.615 1.00 0.00 H new ATOM 1044 N ASN A 74 4.199 3.731 3.534 1.00 0.00 N ATOM 1045 CA ASN A 74 5.262 2.792 3.873 1.00 0.00 C ATOM 1046 C ASN A 74 4.877 1.331 3.623 1.00 0.00 C ATOM 1047 O ASN A 74 5.748 0.467 3.728 1.00 0.00 O ATOM 1048 CB ASN A 74 5.614 2.952 5.355 1.00 0.00 C ATOM 1049 CG ASN A 74 6.199 4.317 5.671 1.00 0.00 C ATOM 1050 OD1 ASN A 74 7.347 4.612 5.357 1.00 0.00 O ATOM 1051 ND2 ASN A 74 5.391 5.152 6.302 1.00 0.00 N ATOM 0 H ASN A 74 3.757 4.156 4.350 1.00 0.00 H new ATOM 0 HA ASN A 74 6.109 3.024 3.228 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.718 2.796 5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.328 2.180 5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.715 6.087 6.548 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.443 4.861 6.542 1.00 0.00 H new ATOM 1058 N GLY A 75 3.605 1.045 3.336 1.00 0.00 N ATOM 1059 CA GLY A 75 3.107 -0.307 3.142 1.00 0.00 C ATOM 1060 C GLY A 75 3.274 -0.771 1.705 1.00 0.00 C ATOM 1061 O GLY A 75 3.854 -0.069 0.887 1.00 0.00 O ATOM 0 H GLY A 75 2.886 1.761 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.637 -0.988 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.053 -0.349 3.417 1.00 0.00 H new ATOM 1065 N TRP A 76 2.806 -1.978 1.399 1.00 0.00 N ATOM 1066 CA TRP A 76 2.901 -2.588 0.077 1.00 0.00 C ATOM 1067 C TRP A 76 1.709 -3.522 -0.065 1.00 0.00 C ATOM 1068 O TRP A 76 1.247 -4.007 0.968 1.00 0.00 O ATOM 1069 CB TRP A 76 4.208 -3.386 0.002 1.00 0.00 C ATOM 1070 CG TRP A 76 4.492 -4.134 -1.268 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.379 -3.741 -2.205 1.00 0.00 C ATOM 1072 CD2 TRP A 76 4.040 -5.460 -1.691 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.527 -4.724 -3.159 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.714 -5.804 -2.900 1.00 0.00 C ATOM 1075 CE3 TRP A 76 3.177 -6.436 -1.150 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.551 -7.048 -3.527 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 3.053 -7.709 -1.732 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.743 -8.019 -2.916 1.00 0.00 C ATOM 0 H TRP A 76 2.338 -2.574 2.082 1.00 0.00 H new ATOM 0 HA TRP A 76 2.897 -1.842 -0.718 1.00 0.00 H new ATOM 0 HB2 TRP A 76 5.034 -2.696 0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.212 -4.103 0.823 1.00 0.00 H new ATOM 0 HD1 TRP A 76 5.898 -2.794 -2.207 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.159 -4.660 -3.957 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.599 -6.200 -0.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 5.041 -7.256 -4.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.424 -8.453 -1.267 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.652 -9.002 -3.355 1.00 0.00 H new ATOM 1089 N CYS A 77 1.265 -3.787 -1.302 1.00 0.00 N ATOM 1090 CA CYS A 77 0.331 -4.852 -1.659 1.00 0.00 C ATOM 1091 C CYS A 77 0.804 -5.548 -2.944 1.00 0.00 C ATOM 1092 O CYS A 77 1.664 -5.030 -3.656 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.082 -4.337 -1.796 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.402 -3.686 -3.456 1.00 0.00 S ATOM 0 H CYS A 77 1.562 -3.240 -2.110 1.00 0.00 H new ATOM 0 HA CYS A 77 0.317 -5.583 -0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.785 -5.141 -1.579 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.257 -3.554 -1.058 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.628 -3.258 -3.525 1.00 0.00 H new ATOM 1099 N ALA A 78 0.246 -6.727 -3.239 1.00 0.00 N ATOM 1100 CA ALA A 78 0.571 -7.539 -4.410 1.00 0.00 C ATOM 1101 C ALA A 78 0.543 -6.711 -5.694 1.00 0.00 C ATOM 1102 O ALA A 78 1.438 -6.803 -6.540 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.404 -8.715 -4.494 1.00 0.00 C ATOM 0 H ALA A 78 -0.467 -7.154 -2.648 1.00 0.00 H new ATOM 0 HA ALA A 78 1.587 -7.919 -4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.166 -9.324 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.319 -9.323 -3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.423 -8.337 -4.583 1.00 0.00 H new ATOM 1109 N SER A 79 -0.494 -5.888 -5.835 1.00 0.00 N ATOM 1110 CA SER A 79 -0.709 -5.047 -6.993 1.00 0.00 C ATOM 1111 C SER A 79 0.394 -4.002 -7.190 1.00 0.00 C ATOM 1112 O SER A 79 0.411 -3.386 -8.257 1.00 0.00 O ATOM 1113 CB SER A 79 -2.083 -4.382 -6.877 1.00 0.00 C ATOM 1114 OG SER A 79 -3.025 -5.334 -6.415 1.00 0.00 O ATOM 0 H SER A 79 -1.221 -5.791 -5.126 1.00 0.00 H new ATOM 0 HA SER A 79 -0.675 -5.681 -7.879 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.035 -3.538 -6.189 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.392 -3.987 -7.845 1.00 0.00 H new ATOM 0 HG SER A 79 -3.906 -4.912 -6.338 1.00 0.00 H new ATOM 1120 N TRP A 80 1.301 -3.799 -6.216 1.00 0.00 N ATOM 1121 CA TRP A 80 2.375 -2.816 -6.318 1.00 0.00 C ATOM 1122 C TRP A 80 2.978 -2.805 -7.716 1.00 0.00 C ATOM 1123 O TRP A 80 3.366 -3.853 -8.234 1.00 0.00 O ATOM 1124 CB TRP A 80 3.486 -3.023 -5.282 1.00 0.00 C ATOM 1125 CG TRP A 80 4.511 -1.926 -5.322 1.00 0.00 C ATOM 1126 CD1 TRP A 80 4.459 -0.796 -4.587 1.00 0.00 C ATOM 1127 CD2 TRP A 80 5.649 -1.758 -6.224 1.00 0.00 C ATOM 1128 NE1 TRP A 80 5.447 0.075 -4.993 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.218 -0.466 -6.002 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.251 -2.561 -7.216 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 7.324 -0.001 -6.733 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.374 -2.114 -7.935 1.00 0.00 C ATOM 1133 CH2 TRP A 80 7.913 -0.838 -7.695 1.00 0.00 C ATOM 0 H TRP A 80 1.302 -4.318 -5.338 1.00 0.00 H new ATOM 0 HA TRP A 80 1.912 -1.851 -6.110 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.047 -3.071 -4.286 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.974 -3.981 -5.462 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.748 -0.602 -3.797 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.591 1.004 -4.597 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.841 -3.538 -7.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.717 0.989 -6.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.826 -2.756 -8.677 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.777 -0.502 -8.249 1.00 0.00 H new ATOM 1144 N THR A 81 3.001 -1.630 -8.334 1.00 0.00 N ATOM 1145 CA THR A 81 3.465 -1.377 -9.684 1.00 0.00 C ATOM 1146 C THR A 81 4.146 -0.022 -9.583 1.00 0.00 C ATOM 1147 O THR A 81 3.604 0.847 -8.915 1.00 0.00 O ATOM 1148 CB THR A 81 2.239 -1.346 -10.612 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.631 -2.625 -10.628 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.583 -0.933 -12.045 1.00 0.00 C ATOM 0 H THR A 81 2.675 -0.780 -7.874 1.00 0.00 H new ATOM 0 HA THR A 81 4.146 -2.127 -10.085 1.00 0.00 H new ATOM 0 HB THR A 81 1.557 -0.594 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.216 -2.801 -9.758 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.677 -0.930 -12.650 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.020 0.066 -12.041 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.298 -1.640 -12.466 1.00 0.00 H new ATOM 1158 N LEU A 82 5.331 0.158 -10.164 1.00 0.00 N ATOM 1159 CA LEU A 82 6.121 1.369 -9.964 1.00 0.00 C ATOM 1160 C LEU A 82 5.296 2.620 -10.308 1.00 0.00 C ATOM 1161 O LEU A 82 4.660 2.663 -11.361 1.00 0.00 O ATOM 1162 CB LEU A 82 7.393 1.245 -10.816 1.00 0.00 C ATOM 1163 CG LEU A 82 8.595 2.090 -10.356 1.00 0.00 C ATOM 1164 CD1 LEU A 82 9.771 1.785 -11.290 1.00 0.00 C ATOM 1165 CD2 LEU A 82 8.346 3.602 -10.372 1.00 0.00 C ATOM 0 H LEU A 82 5.767 -0.527 -10.782 1.00 0.00 H new ATOM 0 HA LEU A 82 6.406 1.480 -8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.695 0.198 -10.833 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.149 1.523 -11.841 1.00 0.00 H new ATOM 0 HG LEU A 82 8.793 1.820 -9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.638 2.371 -10.987 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.013 0.724 -11.235 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.499 2.043 -12.314 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.242 4.122 -10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.102 3.920 -11.386 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.516 3.841 -9.707 1.00 0.00 H new ATOM 1177 N LYS A 83 5.300 3.621 -9.418 1.00 0.00 N ATOM 1178 CA LYS A 83 4.723 4.947 -9.625 1.00 0.00 C ATOM 1179 C LYS A 83 5.098 5.537 -10.992 1.00 0.00 C ATOM 1180 O LYS A 83 6.084 6.255 -11.132 1.00 0.00 O ATOM 1181 CB LYS A 83 5.109 5.864 -8.442 1.00 0.00 C ATOM 1182 CG LYS A 83 4.837 7.375 -8.584 1.00 0.00 C ATOM 1183 CD LYS A 83 3.374 7.726 -8.882 1.00 0.00 C ATOM 1184 CE LYS A 83 2.506 7.791 -7.616 1.00 0.00 C ATOM 1185 NZ LYS A 83 1.078 7.915 -7.967 1.00 0.00 N ATOM 0 H LYS A 83 5.725 3.520 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 83 3.637 4.862 -9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.579 5.510 -7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.174 5.732 -8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.138 7.875 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.464 7.772 -9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.333 8.687 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.959 6.984 -9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.661 6.894 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.810 8.640 -7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.544 8.242 -7.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.969 8.601 -8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.713 6.989 -8.270 1.00 0.00 H new