USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 819 hydrogens (34 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 79 LYS NZ :NH3+ -123:sc= 2.18 (180deg=-1.35) USER MOD Set 1.2: A 92 TYR OH : rot 180:sc= 1 USER MOD Set 2.1: A 41 THR OG1 : rot -113:sc= -0.929 USER MOD Set 2.2: A 75 CYS SG : rot 180:sc= -1.75 USER MOD Set 3.1: A 37 ASN : amide:sc= 0.265 K(o=0.58,f=-0.095) USER MOD Set 3.2: A 74 SER OG : rot -158:sc= 0.319 USER MOD Set 4.1: A 27 THR OG1 : rot 170:sc= -0.029 USER MOD Set 4.2: A 40 HIS : no HD1:sc= 0.658 K(o=0.63,f=-5.4!) USER MOD Set 5.1: A 3 ASN : amide:sc= 1.04 K(o=1.1,f=-3.2) USER MOD Set 5.2: A 7 LYS NZ :NH3+ 141:sc= 0.111 (180deg=-4.22!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= 1.23 (180deg=1.05) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 1.23 (180deg=0.852) USER MOD Single : A 14 TYR OH : rot 165:sc= -0.143 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 21 ASN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 28 TYR OH : rot -39:sc= 0.123 USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 34 ASN : amide:sc= 1.09 K(o=1.1,f=-0.015) USER MOD Single : A 44 SER OG : rot 76:sc= 1.18 USER MOD Single : A 50 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.13) USER MOD Single : A 54 LYS NZ :NH3+ -126:sc= -0.358 (180deg=-1.71!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.09) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.217 X(o=0.22,f=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.31 F(o=-1.5!,f=-0.31) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= 1.2 (180deg=0.923) USER MOD Single : A 76 SER OG : rot 180:sc= 0.165 USER MOD Single : A 80 HIS : no HD1:sc=-0.00211 X(o=-0.0021,f=0) USER MOD Single : A 81 MET CE :methyl 138:sc= -0.255 (180deg=-2.06) USER MOD Single : A 84 LYS NZ :NH3+ 144:sc= 2.12 (180deg=0.994) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0983 USER MOD Single : A 89 GLN : amide:sc= 0.994 K(o=0.99,f=-0.54) USER MOD Single : A 97 HIS : no HD1:sc= -0.0422 X(o=-0.042,f=-0.051) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS :FLIP no HE2:sc= 0.225 F(o=-0.78,f=0.23) USER MOD Single : A 101 HIS : no HD1:sc= -0.0309 X(o=-0.031,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 103 ACO O2B : rot -96:sc= 0.488 USER MOD Single : A 103 ACO OAP : rot 180:sc= -0.0811 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.183 2.035 -2.590 1.00 6.95 N ATOM 2 CA MET A 1 24.598 1.930 -1.171 1.00 6.01 C ATOM 3 C MET A 1 23.624 1.051 -0.399 1.00 5.28 C ATOM 4 O MET A 1 22.500 0.819 -0.842 1.00 5.28 O ATOM 5 CB MET A 1 24.654 3.317 -0.522 1.00 5.80 C ATOM 6 CG MET A 1 25.775 4.198 -1.043 1.00 6.10 C ATOM 7 SD MET A 1 25.858 5.783 -0.190 1.00 6.20 S ATOM 8 CE MET A 1 27.241 6.543 -1.035 1.00 6.73 C ATOM 0 H1 MET A 1 25.026 2.046 -3.198 1.00 6.95 H new ATOM 0 H2 MET A 1 23.588 1.219 -2.839 1.00 6.95 H new ATOM 0 H3 MET A 1 23.643 2.913 -2.730 1.00 6.95 H new ATOM 0 HA MET A 1 25.591 1.482 -1.141 1.00 6.01 H new ATOM 0 HB2 MET A 1 23.702 3.822 -0.686 1.00 5.80 H new ATOM 0 HB3 MET A 1 24.770 3.198 0.555 1.00 5.80 H new ATOM 0 HG2 MET A 1 26.726 3.677 -0.929 1.00 6.10 H new ATOM 0 HG3 MET A 1 25.632 4.370 -2.110 1.00 6.10 H new ATOM 0 HE1 MET A 1 27.420 7.535 -0.620 1.00 6.73 H new ATOM 0 HE2 MET A 1 28.131 5.928 -0.902 1.00 6.73 H new ATOM 0 HE3 MET A 1 27.015 6.630 -2.098 1.00 6.73 H new ATOM 20 N SER A 2 24.052 0.569 0.760 1.00 5.03 N ATOM 21 CA SER A 2 23.215 -0.281 1.596 1.00 4.69 C ATOM 22 C SER A 2 22.323 0.571 2.494 1.00 3.60 C ATOM 23 O SER A 2 22.368 0.472 3.720 1.00 3.51 O ATOM 24 CB SER A 2 24.091 -1.202 2.442 1.00 5.46 C ATOM 25 OG SER A 2 25.096 -1.813 1.649 1.00 6.47 O ATOM 0 H SER A 2 24.979 0.753 1.144 1.00 5.03 H new ATOM 0 HA SER A 2 22.578 -0.889 0.954 1.00 4.69 H new ATOM 0 HB2 SER A 2 24.554 -0.632 3.247 1.00 5.46 H new ATOM 0 HB3 SER A 2 23.474 -1.970 2.909 1.00 5.46 H new ATOM 0 HG SER A 2 25.646 -2.397 2.211 1.00 6.47 H new ATOM 31 N ASN A 3 21.515 1.409 1.868 1.00 3.10 N ATOM 32 CA ASN A 3 20.620 2.294 2.593 1.00 2.27 C ATOM 33 C ASN A 3 19.166 1.954 2.289 1.00 2.15 C ATOM 34 O ASN A 3 18.853 1.417 1.223 1.00 2.83 O ATOM 35 CB ASN A 3 20.910 3.752 2.219 1.00 2.40 C ATOM 36 CG ASN A 3 20.106 4.734 3.047 1.00 2.63 C ATOM 37 OD1 ASN A 3 19.820 4.489 4.221 1.00 2.70 O ATOM 38 ND2 ASN A 3 19.733 5.849 2.443 1.00 3.35 N ATOM 0 H ASN A 3 21.461 1.495 0.853 1.00 3.10 H new ATOM 0 HA ASN A 3 20.789 2.159 3.661 1.00 2.27 H new ATOM 0 HB2 ASN A 3 21.973 3.954 2.353 1.00 2.40 H new ATOM 0 HB3 ASN A 3 20.687 3.904 1.163 1.00 2.40 H new ATOM 0 HD21 ASN A 3 19.187 6.546 2.950 1.00 3.35 H new ATOM 0 HD22 ASN A 3 19.991 6.013 1.470 1.00 3.35 H new ATOM 45 N LEU A 4 18.287 2.253 3.232 1.00 1.64 N ATOM 46 CA LEU A 4 16.867 1.993 3.071 1.00 1.54 C ATOM 47 C LEU A 4 16.077 3.289 3.212 1.00 1.65 C ATOM 48 O LEU A 4 16.085 4.118 2.300 1.00 2.49 O ATOM 49 CB LEU A 4 16.381 0.943 4.084 1.00 1.47 C ATOM 50 CG LEU A 4 17.115 0.922 5.429 1.00 1.63 C ATOM 51 CD1 LEU A 4 16.131 0.691 6.568 1.00 2.06 C ATOM 52 CD2 LEU A 4 18.192 -0.155 5.431 1.00 2.10 C ATOM 0 H LEU A 4 18.536 2.680 4.124 1.00 1.64 H new ATOM 0 HA LEU A 4 16.701 1.591 2.071 1.00 1.54 H new ATOM 0 HB2 LEU A 4 15.321 1.112 4.273 1.00 1.47 H new ATOM 0 HB3 LEU A 4 16.470 -0.043 3.628 1.00 1.47 H new ATOM 0 HG LEU A 4 17.594 1.890 5.576 1.00 1.63 H new ATOM 0 HD11 LEU A 4 16.668 0.679 7.516 1.00 2.06 H new ATOM 0 HD12 LEU A 4 15.393 1.493 6.579 1.00 2.06 H new ATOM 0 HD13 LEU A 4 15.626 -0.264 6.425 1.00 2.06 H new ATOM 0 HD21 LEU A 4 18.704 -0.156 6.394 1.00 2.10 H new ATOM 0 HD22 LEU A 4 17.733 -1.129 5.263 1.00 2.10 H new ATOM 0 HD23 LEU A 4 18.912 0.049 4.638 1.00 2.10 H new ATOM 64 N GLU A 5 15.423 3.459 4.365 1.00 1.13 N ATOM 65 CA GLU A 5 14.619 4.648 4.666 1.00 1.19 C ATOM 66 C GLU A 5 13.392 4.743 3.759 1.00 1.05 C ATOM 67 O GLU A 5 13.485 4.566 2.544 1.00 1.01 O ATOM 68 CB GLU A 5 15.455 5.925 4.536 1.00 1.48 C ATOM 69 CG GLU A 5 16.747 5.900 5.334 1.00 1.61 C ATOM 70 CD GLU A 5 17.726 6.972 4.901 1.00 2.22 C ATOM 71 OE1 GLU A 5 17.777 7.291 3.693 1.00 2.91 O ATOM 72 OE2 GLU A 5 18.458 7.495 5.765 1.00 2.57 O ATOM 0 H GLU A 5 15.436 2.773 5.119 1.00 1.13 H new ATOM 0 HA GLU A 5 14.279 4.549 5.697 1.00 1.19 H new ATOM 0 HB2 GLU A 5 15.692 6.086 3.484 1.00 1.48 H new ATOM 0 HB3 GLU A 5 14.855 6.775 4.862 1.00 1.48 H new ATOM 0 HG2 GLU A 5 16.518 6.030 6.392 1.00 1.61 H new ATOM 0 HG3 GLU A 5 17.216 4.922 5.227 1.00 1.61 H new ATOM 79 N ILE A 6 12.241 5.026 4.352 1.00 1.00 N ATOM 80 CA ILE A 6 11.013 5.164 3.588 1.00 0.88 C ATOM 81 C ILE A 6 10.953 6.547 2.953 1.00 0.86 C ATOM 82 O ILE A 6 10.622 7.538 3.611 1.00 0.90 O ATOM 83 CB ILE A 6 9.757 4.947 4.458 1.00 0.86 C ATOM 84 CG1 ILE A 6 9.851 3.623 5.220 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.506 4.967 3.589 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.746 3.417 6.234 1.00 0.92 C ATOM 0 H ILE A 6 12.133 5.164 5.357 1.00 1.00 H new ATOM 0 HA ILE A 6 11.022 4.393 2.817 1.00 0.88 H new ATOM 0 HB ILE A 6 9.695 5.758 5.184 1.00 0.86 H new ATOM 0 HG12 ILE A 6 9.831 2.801 4.504 1.00 0.94 H new ATOM 0 HG13 ILE A 6 10.813 3.577 5.731 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.626 4.813 4.214 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.429 5.930 3.085 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.567 4.172 2.846 1.00 0.79 H new ATOM 0 HD11 ILE A 6 8.883 2.457 6.731 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.777 4.217 6.974 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.781 3.429 5.728 1.00 0.92 H new ATOM 98 N LYS A 7 11.308 6.614 1.684 1.00 0.86 N ATOM 99 CA LYS A 7 11.304 7.864 0.955 1.00 0.89 C ATOM 100 C LYS A 7 9.938 8.082 0.322 1.00 0.79 C ATOM 101 O LYS A 7 9.331 7.143 -0.197 1.00 0.74 O ATOM 102 CB LYS A 7 12.383 7.850 -0.134 1.00 0.99 C ATOM 103 CG LYS A 7 13.700 7.211 0.289 1.00 1.10 C ATOM 104 CD LYS A 7 14.499 8.120 1.209 1.00 1.61 C ATOM 105 CE LYS A 7 15.991 8.018 0.935 1.00 1.77 C ATOM 106 NZ LYS A 7 16.557 6.717 1.378 1.00 2.23 N ATOM 0 H LYS A 7 11.605 5.808 1.134 1.00 0.86 H new ATOM 0 HA LYS A 7 11.517 8.677 1.649 1.00 0.89 H new ATOM 0 HB2 LYS A 7 11.997 7.316 -1.003 1.00 0.99 H new ATOM 0 HB3 LYS A 7 12.576 8.875 -0.450 1.00 0.99 H new ATOM 0 HG2 LYS A 7 13.500 6.267 0.795 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.292 6.979 -0.596 1.00 1.10 H new ATOM 0 HD2 LYS A 7 14.173 9.152 1.076 1.00 1.61 H new ATOM 0 HD3 LYS A 7 14.300 7.855 2.247 1.00 1.61 H new ATOM 0 HE2 LYS A 7 16.172 8.146 -0.132 1.00 1.77 H new ATOM 0 HE3 LYS A 7 16.509 8.830 1.446 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 17.260 6.390 0.685 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 17.014 6.835 2.305 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 15.794 6.015 1.455 1.00 2.23 H new ATOM 120 N GLN A 8 9.451 9.310 0.376 1.00 0.81 N ATOM 121 CA GLN A 8 8.156 9.631 -0.202 1.00 0.78 C ATOM 122 C GLN A 8 8.328 10.549 -1.404 1.00 0.90 C ATOM 123 O GLN A 8 9.119 11.498 -1.373 1.00 1.15 O ATOM 124 CB GLN A 8 7.231 10.274 0.837 1.00 0.93 C ATOM 125 CG GLN A 8 7.831 11.480 1.535 1.00 1.29 C ATOM 126 CD GLN A 8 6.932 12.029 2.628 1.00 1.76 C ATOM 127 OE1 GLN A 8 5.708 11.919 2.560 1.00 2.52 O ATOM 128 NE2 GLN A 8 7.529 12.631 3.643 1.00 1.94 N ATOM 0 H GLN A 8 9.930 10.098 0.812 1.00 0.81 H new ATOM 0 HA GLN A 8 7.692 8.702 -0.533 1.00 0.78 H new ATOM 0 HB2 GLN A 8 6.305 10.574 0.347 1.00 0.93 H new ATOM 0 HB3 GLN A 8 6.968 9.527 1.586 1.00 0.93 H new ATOM 0 HG2 GLN A 8 8.794 11.204 1.966 1.00 1.29 H new ATOM 0 HG3 GLN A 8 8.023 12.262 0.800 1.00 1.29 H new ATOM 0 HE21 GLN A 8 8.546 12.704 3.666 1.00 1.94 H new ATOM 0 HE22 GLN A 8 6.972 13.023 4.403 1.00 1.94 H new ATOM 137 N GLY A 9 7.612 10.243 -2.468 1.00 0.87 N ATOM 138 CA GLY A 9 7.684 11.037 -3.675 1.00 1.04 C ATOM 139 C GLY A 9 6.697 10.563 -4.716 1.00 0.71 C ATOM 140 O GLY A 9 6.356 9.385 -4.740 1.00 0.83 O ATOM 0 H GLY A 9 6.974 9.449 -2.520 1.00 0.87 H new ATOM 0 HA2 GLY A 9 7.486 12.082 -3.435 1.00 1.04 H new ATOM 0 HA3 GLY A 9 8.694 10.989 -4.082 1.00 1.04 H new ATOM 144 N GLU A 10 6.248 11.492 -5.567 1.00 1.04 N ATOM 145 CA GLU A 10 5.283 11.223 -6.649 1.00 0.82 C ATOM 146 C GLU A 10 4.141 10.298 -6.209 1.00 0.70 C ATOM 147 O GLU A 10 3.738 9.400 -6.952 1.00 0.72 O ATOM 148 CB GLU A 10 5.985 10.666 -7.905 1.00 0.79 C ATOM 149 CG GLU A 10 6.795 9.393 -7.679 1.00 1.82 C ATOM 150 CD GLU A 10 7.337 8.802 -8.963 1.00 2.48 C ATOM 151 OE1 GLU A 10 7.951 9.545 -9.756 1.00 3.19 O ATOM 152 OE2 GLU A 10 7.157 7.585 -9.181 1.00 2.65 O ATOM 0 H GLU A 10 6.546 12.467 -5.526 1.00 1.04 H new ATOM 0 HA GLU A 10 4.834 12.183 -6.903 1.00 0.82 H new ATOM 0 HB2 GLU A 10 5.231 10.469 -8.667 1.00 0.79 H new ATOM 0 HB3 GLU A 10 6.647 11.434 -8.304 1.00 0.79 H new ATOM 0 HG2 GLU A 10 7.625 9.611 -7.007 1.00 1.82 H new ATOM 0 HG3 GLU A 10 6.168 8.653 -7.181 1.00 1.82 H new ATOM 159 N ASN A 11 3.607 10.554 -5.009 1.00 0.63 N ATOM 160 CA ASN A 11 2.510 9.757 -4.446 1.00 0.59 C ATOM 161 C ASN A 11 2.918 8.294 -4.332 1.00 0.47 C ATOM 162 O ASN A 11 2.171 7.388 -4.714 1.00 0.44 O ATOM 163 CB ASN A 11 1.242 9.882 -5.299 1.00 0.71 C ATOM 164 CG ASN A 11 0.664 11.279 -5.287 1.00 0.73 C ATOM 165 OD1 ASN A 11 -0.110 11.639 -4.403 1.00 1.10 O ATOM 166 ND2 ASN A 11 1.034 12.076 -6.277 1.00 1.38 N ATOM 0 H ASN A 11 3.920 11.314 -4.404 1.00 0.63 H new ATOM 0 HA ASN A 11 2.293 10.144 -3.450 1.00 0.59 H new ATOM 0 HB2 ASN A 11 1.471 9.597 -6.326 1.00 0.71 H new ATOM 0 HB3 ASN A 11 0.493 9.180 -4.933 1.00 0.71 H new ATOM 0 HD21 ASN A 11 0.674 13.029 -6.326 1.00 1.38 H new ATOM 0 HD22 ASN A 11 1.679 11.737 -6.991 1.00 1.38 H new ATOM 173 N LYS A 12 4.103 8.072 -3.791 1.00 0.45 N ATOM 174 CA LYS A 12 4.638 6.732 -3.646 1.00 0.43 C ATOM 175 C LYS A 12 5.635 6.655 -2.494 1.00 0.46 C ATOM 176 O LYS A 12 6.511 7.512 -2.353 1.00 0.55 O ATOM 177 CB LYS A 12 5.314 6.312 -4.961 1.00 0.50 C ATOM 178 CG LYS A 12 6.409 5.268 -4.804 1.00 0.65 C ATOM 179 CD LYS A 12 7.144 5.029 -6.114 1.00 0.59 C ATOM 180 CE LYS A 12 8.190 6.101 -6.372 1.00 0.73 C ATOM 181 NZ LYS A 12 8.741 6.011 -7.749 1.00 0.94 N ATOM 0 H LYS A 12 4.716 8.809 -3.443 1.00 0.45 H new ATOM 0 HA LYS A 12 3.817 6.052 -3.419 1.00 0.43 H new ATOM 0 HB2 LYS A 12 4.553 5.923 -5.637 1.00 0.50 H new ATOM 0 HB3 LYS A 12 5.739 7.197 -5.435 1.00 0.50 H new ATOM 0 HG2 LYS A 12 7.117 5.594 -4.042 1.00 0.65 H new ATOM 0 HG3 LYS A 12 5.973 4.332 -4.454 1.00 0.65 H new ATOM 0 HD2 LYS A 12 7.623 4.050 -6.090 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.428 5.013 -6.936 1.00 0.59 H new ATOM 0 HE2 LYS A 12 7.747 7.085 -6.221 1.00 0.73 H new ATOM 0 HE3 LYS A 12 8.999 6.001 -5.649 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 9.532 6.678 -7.851 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 9.079 5.043 -7.925 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 7.998 6.248 -8.437 1.00 0.94 H new ATOM 195 N PHE A 13 5.473 5.639 -1.663 1.00 0.46 N ATOM 196 CA PHE A 13 6.373 5.402 -0.548 1.00 0.50 C ATOM 197 C PHE A 13 7.289 4.254 -0.936 1.00 0.50 C ATOM 198 O PHE A 13 6.813 3.151 -1.209 1.00 0.46 O ATOM 199 CB PHE A 13 5.601 5.048 0.728 1.00 0.51 C ATOM 200 CG PHE A 13 4.978 6.226 1.421 1.00 0.53 C ATOM 201 CD1 PHE A 13 5.749 7.094 2.174 1.00 0.63 C ATOM 202 CD2 PHE A 13 3.616 6.459 1.325 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.174 8.175 2.817 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.034 7.536 1.965 1.00 0.59 C ATOM 205 CZ PHE A 13 3.814 8.396 2.712 1.00 0.65 C ATOM 0 H PHE A 13 4.717 4.958 -1.742 1.00 0.46 H new ATOM 0 HA PHE A 13 6.944 6.306 -0.339 1.00 0.50 H new ATOM 0 HB2 PHE A 13 4.818 4.333 0.478 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.278 4.550 1.422 1.00 0.51 H new ATOM 0 HD1 PHE A 13 6.812 6.925 2.261 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.001 5.790 0.742 1.00 0.54 H new ATOM 0 HE1 PHE A 13 5.787 8.846 3.401 1.00 0.69 H new ATOM 0 HE2 PHE A 13 1.971 7.705 1.881 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.362 9.239 3.213 1.00 0.65 H new ATOM 215 N TYR A 14 8.585 4.504 -0.991 1.00 0.60 N ATOM 216 CA TYR A 14 9.519 3.464 -1.387 1.00 0.64 C ATOM 217 C TYR A 14 10.731 3.399 -0.471 1.00 0.69 C ATOM 218 O TYR A 14 11.199 4.414 0.043 1.00 0.75 O ATOM 219 CB TYR A 14 9.964 3.661 -2.842 1.00 0.67 C ATOM 220 CG TYR A 14 10.696 4.960 -3.116 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.005 6.160 -3.246 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.079 4.982 -3.255 1.00 0.93 C ATOM 223 CE1 TYR A 14 10.672 7.342 -3.500 1.00 0.92 C ATOM 224 CE2 TYR A 14 12.752 6.162 -3.510 1.00 1.04 C ATOM 225 CZ TYR A 14 12.044 7.339 -3.633 1.00 1.03 C ATOM 226 OH TYR A 14 12.714 8.515 -3.884 1.00 1.16 O ATOM 0 H TYR A 14 9.011 5.404 -0.770 1.00 0.60 H new ATOM 0 HA TYR A 14 8.992 2.514 -1.300 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.611 2.830 -3.124 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.085 3.614 -3.485 1.00 0.67 H new ATOM 0 HD1 TYR A 14 8.930 6.167 -3.147 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.637 4.062 -3.162 1.00 0.93 H new ATOM 0 HE1 TYR A 14 10.121 8.266 -3.594 1.00 0.92 H new ATOM 0 HE2 TYR A 14 13.827 6.162 -3.612 1.00 1.04 H new ATOM 0 HH TYR A 14 13.671 8.389 -3.713 1.00 1.16 H new ATOM 236 N ILE A 15 11.224 2.188 -0.278 1.00 0.71 N ATOM 237 CA ILE A 15 12.390 1.947 0.549 1.00 0.78 C ATOM 238 C ILE A 15 13.556 1.519 -0.332 1.00 0.92 C ATOM 239 O ILE A 15 13.474 0.511 -1.046 1.00 0.92 O ATOM 240 CB ILE A 15 12.118 0.865 1.624 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.253 1.439 2.748 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.423 0.315 2.188 1.00 0.80 C ATOM 243 CD1 ILE A 15 11.030 0.481 3.896 1.00 0.71 C ATOM 0 H ILE A 15 10.826 1.345 -0.691 1.00 0.71 H new ATOM 0 HA ILE A 15 12.634 2.874 1.068 1.00 0.78 H new ATOM 0 HB ILE A 15 11.580 0.043 1.151 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.724 2.345 3.129 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.286 1.731 2.337 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.204 -0.443 2.940 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.008 -0.131 1.384 1.00 0.80 H new ATOM 0 HG23 ILE A 15 13.992 1.125 2.644 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.408 0.959 4.653 1.00 0.71 H new ATOM 0 HD12 ILE A 15 10.531 -0.416 3.530 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.990 0.208 4.334 1.00 0.71 H new ATOM 255 N GLY A 16 14.622 2.298 -0.300 1.00 1.09 N ATOM 256 CA GLY A 16 15.785 1.987 -1.095 1.00 1.26 C ATOM 257 C GLY A 16 16.772 3.133 -1.132 1.00 1.42 C ATOM 258 O GLY A 16 16.440 4.260 -0.752 1.00 1.52 O ATOM 0 H GLY A 16 14.702 3.143 0.265 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.274 1.101 -0.690 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.475 1.744 -2.111 1.00 1.26 H new ATOM 262 N ASP A 17 17.982 2.842 -1.584 1.00 1.55 N ATOM 263 CA ASP A 17 19.036 3.843 -1.677 1.00 1.74 C ATOM 264 C ASP A 17 18.796 4.764 -2.869 1.00 1.66 C ATOM 265 O ASP A 17 19.117 5.953 -2.828 1.00 1.78 O ATOM 266 CB ASP A 17 20.400 3.157 -1.807 1.00 1.95 C ATOM 267 CG ASP A 17 21.534 4.137 -2.034 1.00 2.20 C ATOM 268 OD1 ASP A 17 21.633 5.128 -1.282 1.00 2.62 O ATOM 269 OD2 ASP A 17 22.344 3.908 -2.958 1.00 2.14 O ATOM 0 H ASP A 17 18.261 1.912 -1.895 1.00 1.55 H new ATOM 0 HA ASP A 17 19.026 4.445 -0.768 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.599 2.582 -0.903 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.367 2.449 -2.635 1.00 1.95 H new ATOM 274 N ASP A 18 18.205 4.209 -3.918 1.00 1.53 N ATOM 275 CA ASP A 18 17.916 4.963 -5.129 1.00 1.48 C ATOM 276 C ASP A 18 16.512 4.628 -5.640 1.00 1.37 C ATOM 277 O ASP A 18 16.010 3.531 -5.403 1.00 1.29 O ATOM 278 CB ASP A 18 18.983 4.664 -6.191 1.00 1.53 C ATOM 279 CG ASP A 18 18.509 4.943 -7.600 1.00 1.47 C ATOM 280 OD1 ASP A 18 18.333 6.126 -7.952 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.304 3.974 -8.361 1.00 1.41 O ATOM 0 H ASP A 18 17.915 3.232 -3.954 1.00 1.53 H new ATOM 0 HA ASP A 18 17.943 6.030 -4.907 1.00 1.48 H new ATOM 0 HB2 ASP A 18 19.870 5.264 -5.986 1.00 1.53 H new ATOM 0 HB3 ASP A 18 19.281 3.618 -6.114 1.00 1.53 H new ATOM 286 N GLU A 19 15.888 5.588 -6.328 1.00 1.41 N ATOM 287 CA GLU A 19 14.536 5.430 -6.873 1.00 1.38 C ATOM 288 C GLU A 19 14.392 4.170 -7.727 1.00 1.34 C ATOM 289 O GLU A 19 13.444 3.402 -7.553 1.00 1.34 O ATOM 290 CB GLU A 19 14.156 6.656 -7.711 1.00 1.49 C ATOM 291 CG GLU A 19 14.173 7.965 -6.937 1.00 1.76 C ATOM 292 CD GLU A 19 15.530 8.640 -6.942 1.00 2.08 C ATOM 293 OE1 GLU A 19 15.793 9.446 -7.859 1.00 2.43 O ATOM 294 OE2 GLU A 19 16.336 8.370 -6.032 1.00 2.72 O ATOM 0 H GLU A 19 16.306 6.498 -6.523 1.00 1.41 H new ATOM 0 HA GLU A 19 13.863 5.333 -6.021 1.00 1.38 H new ATOM 0 HB2 GLU A 19 14.844 6.735 -8.553 1.00 1.49 H new ATOM 0 HB3 GLU A 19 13.160 6.505 -8.126 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.435 8.643 -7.365 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.872 7.775 -5.907 1.00 1.76 H new ATOM 301 N ASN A 20 15.324 3.958 -8.648 1.00 1.37 N ATOM 302 CA ASN A 20 15.272 2.790 -9.526 1.00 1.39 C ATOM 303 C ASN A 20 15.657 1.530 -8.763 1.00 1.40 C ATOM 304 O ASN A 20 15.234 0.426 -9.099 1.00 1.52 O ATOM 305 CB ASN A 20 16.200 2.972 -10.734 1.00 1.48 C ATOM 306 CG ASN A 20 16.046 1.866 -11.765 1.00 2.08 C ATOM 307 OD1 ASN A 20 14.974 1.279 -11.911 1.00 2.92 O ATOM 308 ND2 ASN A 20 17.115 1.573 -12.487 1.00 2.15 N ATOM 0 H ASN A 20 16.121 4.574 -8.808 1.00 1.37 H new ATOM 0 HA ASN A 20 14.248 2.687 -9.886 1.00 1.39 H new ATOM 0 HB2 ASN A 20 15.992 3.933 -11.205 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.234 3.002 -10.391 1.00 1.48 H new ATOM 0 HD21 ASN A 20 17.068 0.839 -13.193 1.00 2.15 H new ATOM 0 HD22 ASN A 20 17.986 2.081 -12.337 1.00 2.15 H new ATOM 315 N ASN A 21 16.446 1.713 -7.718 1.00 1.36 N ATOM 316 CA ASN A 21 16.902 0.603 -6.895 1.00 1.38 C ATOM 317 C ASN A 21 15.993 0.416 -5.689 1.00 1.25 C ATOM 318 O ASN A 21 16.435 -0.026 -4.625 1.00 1.23 O ATOM 319 CB ASN A 21 18.337 0.843 -6.432 1.00 1.54 C ATOM 320 CG ASN A 21 19.357 0.531 -7.507 1.00 1.92 C ATOM 321 OD1 ASN A 21 19.894 -0.578 -7.566 1.00 2.21 O ATOM 322 ND2 ASN A 21 19.627 1.497 -8.370 1.00 2.45 N ATOM 0 H ASN A 21 16.787 2.626 -7.417 1.00 1.36 H new ATOM 0 HA ASN A 21 16.869 -0.304 -7.498 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.446 1.883 -6.124 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.539 0.228 -5.555 1.00 1.54 H new ATOM 0 HD21 ASN A 21 20.301 1.338 -9.119 1.00 2.45 H new ATOM 0 HD22 ASN A 21 19.161 2.400 -8.287 1.00 2.45 H new ATOM 329 N ALA A 22 14.726 0.765 -5.857 1.00 1.19 N ATOM 330 CA ALA A 22 13.753 0.628 -4.790 1.00 1.09 C ATOM 331 C ALA A 22 13.479 -0.840 -4.517 1.00 1.06 C ATOM 332 O ALA A 22 12.971 -1.559 -5.380 1.00 1.14 O ATOM 333 CB ALA A 22 12.465 1.354 -5.145 1.00 1.04 C ATOM 0 H ALA A 22 14.350 1.146 -6.725 1.00 1.19 H new ATOM 0 HA ALA A 22 14.161 1.080 -3.886 1.00 1.09 H new ATOM 0 HB1 ALA A 22 11.747 1.240 -4.333 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.674 2.413 -5.298 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.049 0.931 -6.059 1.00 1.04 H new ATOM 339 N LEU A 23 13.830 -1.285 -3.320 1.00 0.99 N ATOM 340 CA LEU A 23 13.618 -2.673 -2.938 1.00 0.99 C ATOM 341 C LEU A 23 12.138 -2.930 -2.721 1.00 0.87 C ATOM 342 O LEU A 23 11.652 -4.041 -2.931 1.00 0.95 O ATOM 343 CB LEU A 23 14.406 -3.023 -1.671 1.00 1.05 C ATOM 344 CG LEU A 23 15.931 -3.009 -1.819 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.587 -3.606 -0.583 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.360 -3.764 -3.068 1.00 1.37 C ATOM 0 H LEU A 23 14.262 -0.707 -2.598 1.00 0.99 H new ATOM 0 HA LEU A 23 13.978 -3.309 -3.747 1.00 0.99 H new ATOM 0 HB2 LEU A 23 14.128 -2.320 -0.885 1.00 1.05 H new ATOM 0 HB3 LEU A 23 14.100 -4.014 -1.336 1.00 1.05 H new ATOM 0 HG LEU A 23 16.256 -1.974 -1.920 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.670 -3.590 -0.702 1.00 1.39 H new ATOM 0 HD12 LEU A 23 16.310 -3.022 0.294 1.00 1.39 H new ATOM 0 HD13 LEU A 23 16.252 -4.635 -0.454 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.446 -3.741 -3.152 1.00 1.37 H new ATOM 0 HD22 LEU A 23 16.023 -4.799 -3.001 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.918 -3.295 -3.947 1.00 1.37 H new ATOM 358 N ALA A 24 11.428 -1.897 -2.299 1.00 0.77 N ATOM 359 CA ALA A 24 9.998 -2.001 -2.066 1.00 0.66 C ATOM 360 C ALA A 24 9.335 -0.651 -2.268 1.00 0.60 C ATOM 361 O ALA A 24 9.850 0.366 -1.811 1.00 0.67 O ATOM 362 CB ALA A 24 9.728 -2.523 -0.664 1.00 0.71 C ATOM 0 H ALA A 24 11.820 -0.975 -2.110 1.00 0.77 H new ATOM 0 HA ALA A 24 9.576 -2.705 -2.783 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.652 -2.596 -0.504 1.00 0.71 H new ATOM 0 HB2 ALA A 24 10.179 -3.509 -0.550 1.00 0.71 H new ATOM 0 HB3 ALA A 24 10.159 -1.840 0.068 1.00 0.71 H new ATOM 368 N GLU A 25 8.199 -0.641 -2.953 1.00 0.54 N ATOM 369 CA GLU A 25 7.474 0.595 -3.202 1.00 0.52 C ATOM 370 C GLU A 25 5.969 0.354 -3.248 1.00 0.43 C ATOM 371 O GLU A 25 5.503 -0.702 -3.690 1.00 0.45 O ATOM 372 CB GLU A 25 7.933 1.250 -4.513 1.00 0.65 C ATOM 373 CG GLU A 25 7.528 0.481 -5.761 1.00 0.84 C ATOM 374 CD GLU A 25 7.580 1.329 -7.015 1.00 0.87 C ATOM 375 OE1 GLU A 25 8.620 1.970 -7.267 1.00 1.33 O ATOM 376 OE2 GLU A 25 6.582 1.350 -7.768 1.00 1.02 O ATOM 0 H GLU A 25 7.761 -1.475 -3.345 1.00 0.54 H new ATOM 0 HA GLU A 25 7.694 1.270 -2.375 1.00 0.52 H new ATOM 0 HB2 GLU A 25 7.520 2.257 -4.569 1.00 0.65 H new ATOM 0 HB3 GLU A 25 9.018 1.351 -4.497 1.00 0.65 H new ATOM 0 HG2 GLU A 25 8.186 -0.379 -5.882 1.00 0.84 H new ATOM 0 HG3 GLU A 25 6.518 0.093 -5.632 1.00 0.84 H new ATOM 383 N ILE A 26 5.222 1.336 -2.770 1.00 0.40 N ATOM 384 CA ILE A 26 3.771 1.287 -2.775 1.00 0.33 C ATOM 385 C ILE A 26 3.246 2.587 -3.375 1.00 0.33 C ATOM 386 O ILE A 26 3.693 3.676 -3.009 1.00 0.38 O ATOM 387 CB ILE A 26 3.195 1.058 -1.354 1.00 0.34 C ATOM 388 CG1 ILE A 26 1.678 0.858 -1.418 1.00 0.30 C ATOM 389 CG2 ILE A 26 3.546 2.211 -0.420 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.085 0.311 -0.138 1.00 0.34 C ATOM 0 H ILE A 26 5.606 2.191 -2.367 1.00 0.40 H new ATOM 0 HA ILE A 26 3.446 0.440 -3.379 1.00 0.33 H new ATOM 0 HB ILE A 26 3.650 0.154 -0.950 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.204 1.812 -1.650 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.444 0.178 -2.237 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.127 2.019 0.568 1.00 0.41 H new ATOM 0 HG22 ILE A 26 4.630 2.301 -0.344 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.132 3.139 -0.816 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.008 0.195 -0.256 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.532 -0.658 0.085 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.288 1.001 0.681 1.00 0.34 H new ATOM 402 N THR A 27 2.325 2.476 -4.314 1.00 0.33 N ATOM 403 CA THR A 27 1.784 3.647 -4.982 1.00 0.35 C ATOM 404 C THR A 27 0.317 3.865 -4.636 1.00 0.37 C ATOM 405 O THR A 27 -0.455 2.911 -4.533 1.00 0.41 O ATOM 406 CB THR A 27 1.941 3.519 -6.509 1.00 0.40 C ATOM 407 OG1 THR A 27 1.537 2.210 -6.939 1.00 0.60 O ATOM 408 CG2 THR A 27 3.382 3.768 -6.932 1.00 0.51 C ATOM 0 H THR A 27 1.936 1.588 -4.632 1.00 0.33 H new ATOM 0 HA THR A 27 2.349 4.510 -4.630 1.00 0.35 H new ATOM 0 HB THR A 27 1.305 4.270 -6.977 1.00 0.40 H new ATOM 0 HG1 THR A 27 1.486 2.188 -7.917 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.465 3.672 -8.015 1.00 0.51 H new ATOM 0 HG22 THR A 27 3.680 4.773 -6.633 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.034 3.038 -6.452 1.00 0.51 H new ATOM 416 N TYR A 28 -0.061 5.123 -4.460 1.00 0.39 N ATOM 417 CA TYR A 28 -1.433 5.478 -4.137 1.00 0.45 C ATOM 418 C TYR A 28 -1.791 6.801 -4.800 1.00 0.48 C ATOM 419 O TYR A 28 -0.934 7.662 -4.978 1.00 0.68 O ATOM 420 CB TYR A 28 -1.631 5.563 -2.617 1.00 0.48 C ATOM 421 CG TYR A 28 -0.850 6.676 -1.949 1.00 0.49 C ATOM 422 CD1 TYR A 28 0.496 6.519 -1.636 1.00 0.51 C ATOM 423 CD2 TYR A 28 -1.460 7.885 -1.633 1.00 0.59 C ATOM 424 CE1 TYR A 28 1.207 7.532 -1.027 1.00 0.60 C ATOM 425 CE2 TYR A 28 -0.753 8.900 -1.024 1.00 0.66 C ATOM 426 CZ TYR A 28 0.577 8.720 -0.725 1.00 0.65 C ATOM 427 OH TYR A 28 1.278 9.731 -0.112 1.00 0.76 O ATOM 0 H TYR A 28 0.571 5.920 -4.537 1.00 0.39 H new ATOM 0 HA TYR A 28 -2.096 4.701 -4.517 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.692 5.703 -2.408 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -1.340 4.612 -2.171 1.00 0.48 H new ATOM 0 HD1 TYR A 28 0.992 5.590 -1.873 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -2.504 8.031 -1.868 1.00 0.59 H new ATOM 0 HE1 TYR A 28 2.251 7.395 -0.788 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -1.242 9.832 -0.783 1.00 0.66 H new ATOM 0 HH TYR A 28 1.881 9.350 0.560 1.00 0.76 H new ATOM 437 N ARG A 29 -3.048 6.953 -5.185 1.00 0.42 N ATOM 438 CA ARG A 29 -3.499 8.178 -5.831 1.00 0.48 C ATOM 439 C ARG A 29 -4.744 8.726 -5.153 1.00 0.48 C ATOM 440 O ARG A 29 -5.604 7.963 -4.701 1.00 0.49 O ATOM 441 CB ARG A 29 -3.792 7.928 -7.310 1.00 0.56 C ATOM 442 CG ARG A 29 -2.547 7.755 -8.165 1.00 0.93 C ATOM 443 CD ARG A 29 -2.903 7.469 -9.614 1.00 1.22 C ATOM 444 NE ARG A 29 -3.351 6.090 -9.809 1.00 1.83 N ATOM 445 CZ ARG A 29 -4.465 5.743 -10.451 1.00 2.81 C ATOM 446 NH1 ARG A 29 -5.274 6.669 -10.945 1.00 3.23 N ATOM 447 NH2 ARG A 29 -4.769 4.459 -10.600 1.00 3.63 N ATOM 0 H ARG A 29 -3.773 6.246 -5.062 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.699 8.913 -5.742 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -4.410 7.035 -7.402 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.376 8.762 -7.700 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -1.938 8.657 -8.110 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -1.943 6.938 -7.769 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -3.688 8.154 -9.936 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -2.035 7.660 -10.245 1.00 1.22 H new ATOM 0 HE ARG A 29 -2.770 5.343 -9.427 1.00 1.83 H new ATOM 0 HH11 ARG A 29 -5.046 7.657 -10.835 1.00 3.23 H new ATOM 0 HH12 ARG A 29 -6.125 6.394 -11.435 1.00 3.23 H new ATOM 0 HH21 ARG A 29 -4.150 3.741 -10.223 1.00 3.63 H new ATOM 0 HH22 ARG A 29 -5.622 4.190 -11.091 1.00 3.63 H new ATOM 461 N PHE A 30 -4.834 10.047 -5.091 1.00 0.56 N ATOM 462 CA PHE A 30 -5.976 10.718 -4.484 1.00 0.60 C ATOM 463 C PHE A 30 -7.116 10.788 -5.491 1.00 0.68 C ATOM 464 O PHE A 30 -7.187 11.710 -6.305 1.00 0.83 O ATOM 465 CB PHE A 30 -5.597 12.129 -4.020 1.00 0.66 C ATOM 466 CG PHE A 30 -4.698 12.156 -2.815 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.328 12.005 -2.950 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.227 12.333 -1.546 1.00 0.72 C ATOM 469 CE1 PHE A 30 -2.501 12.028 -1.843 1.00 0.77 C ATOM 470 CE2 PHE A 30 -4.406 12.357 -0.435 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.041 12.204 -0.583 1.00 0.82 C ATOM 0 H PHE A 30 -4.123 10.680 -5.457 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.294 10.148 -3.611 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.103 12.650 -4.840 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.508 12.683 -3.793 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -2.901 11.868 -3.932 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.293 12.454 -1.424 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.434 11.909 -1.962 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -4.831 12.495 0.548 1.00 0.80 H new ATOM 0 HZ PHE A 30 -2.397 12.222 0.284 1.00 0.82 H new ATOM 481 N VAL A 31 -7.991 9.798 -5.443 1.00 0.62 N ATOM 482 CA VAL A 31 -9.113 9.730 -6.369 1.00 0.70 C ATOM 483 C VAL A 31 -10.251 10.658 -5.954 1.00 0.73 C ATOM 484 O VAL A 31 -10.961 11.187 -6.807 1.00 0.83 O ATOM 485 CB VAL A 31 -9.648 8.287 -6.518 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.633 7.415 -7.240 1.00 0.84 C ATOM 487 CG2 VAL A 31 -10.000 7.688 -5.163 1.00 0.67 C ATOM 0 H VAL A 31 -7.948 9.030 -4.774 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.731 10.061 -7.334 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.560 8.326 -7.114 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.026 6.403 -7.336 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.441 7.825 -8.231 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.704 7.391 -6.671 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.373 6.673 -5.300 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.111 7.666 -4.533 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.768 8.296 -4.685 1.00 0.67 H new ATOM 497 N ASP A 32 -10.416 10.868 -4.653 1.00 0.72 N ATOM 498 CA ASP A 32 -11.485 11.737 -4.163 1.00 0.84 C ATOM 499 C ASP A 32 -11.074 12.450 -2.878 1.00 0.97 C ATOM 500 O ASP A 32 -11.836 12.488 -1.913 1.00 1.74 O ATOM 501 CB ASP A 32 -12.762 10.923 -3.928 1.00 0.84 C ATOM 502 CG ASP A 32 -13.986 11.799 -3.726 1.00 0.97 C ATOM 503 OD1 ASP A 32 -14.242 12.684 -4.567 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.706 11.601 -2.726 1.00 1.16 O ATOM 0 H ASP A 32 -9.833 10.456 -3.925 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.677 12.494 -4.923 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.929 10.263 -4.779 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.627 10.287 -3.053 1.00 0.84 H new ATOM 509 N ASN A 33 -9.865 13.015 -2.884 1.00 0.89 N ATOM 510 CA ASN A 33 -9.311 13.745 -1.734 1.00 0.95 C ATOM 511 C ASN A 33 -9.182 12.856 -0.497 1.00 0.84 C ATOM 512 O ASN A 33 -8.103 12.350 -0.201 1.00 1.07 O ATOM 513 CB ASN A 33 -10.165 14.979 -1.412 1.00 1.09 C ATOM 514 CG ASN A 33 -9.579 15.840 -0.304 1.00 1.82 C ATOM 515 OD1 ASN A 33 -8.260 15.955 -0.259 1.00 2.09 O flip ATOM 516 ND2 ASN A 33 -10.311 16.414 0.501 1.00 2.72 N flip ATOM 0 H ASN A 33 -9.238 12.981 -3.688 1.00 0.89 H new ATOM 0 HA ASN A 33 -8.308 14.069 -2.014 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -10.274 15.583 -2.313 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -11.165 14.656 -1.122 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -11.323 16.304 0.438 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -9.906 17.000 1.231 1.00 2.72 H new ATOM 523 N ASN A 34 -10.290 12.648 0.202 1.00 0.73 N ATOM 524 CA ASN A 34 -10.308 11.824 1.407 1.00 0.86 C ATOM 525 C ASN A 34 -10.406 10.343 1.062 1.00 0.88 C ATOM 526 O ASN A 34 -10.924 9.542 1.839 1.00 1.22 O ATOM 527 CB ASN A 34 -11.473 12.225 2.313 1.00 1.01 C ATOM 528 CG ASN A 34 -11.114 13.371 3.238 1.00 1.35 C ATOM 529 OD1 ASN A 34 -11.213 14.539 2.867 1.00 1.84 O ATOM 530 ND2 ASN A 34 -10.703 13.050 4.453 1.00 1.83 N ATOM 0 H ASN A 34 -11.197 13.042 -0.047 1.00 0.73 H new ATOM 0 HA ASN A 34 -9.370 11.991 1.936 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -12.327 12.511 1.698 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -11.781 11.365 2.907 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -10.456 13.783 5.118 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -10.633 12.070 4.725 1.00 1.83 H new ATOM 537 N GLU A 35 -9.888 9.986 -0.099 1.00 0.64 N ATOM 538 CA GLU A 35 -9.903 8.610 -0.561 1.00 0.62 C ATOM 539 C GLU A 35 -8.716 8.367 -1.486 1.00 0.57 C ATOM 540 O GLU A 35 -8.570 9.033 -2.514 1.00 0.59 O ATOM 541 CB GLU A 35 -11.216 8.308 -1.285 1.00 0.68 C ATOM 542 CG GLU A 35 -11.482 6.822 -1.476 1.00 1.01 C ATOM 543 CD GLU A 35 -12.939 6.521 -1.759 1.00 1.41 C ATOM 544 OE1 GLU A 35 -13.410 6.832 -2.870 1.00 1.47 O ATOM 545 OE2 GLU A 35 -13.623 5.966 -0.875 1.00 2.25 O ATOM 0 H GLU A 35 -9.446 10.639 -0.746 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.825 7.944 0.298 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -12.040 8.746 -0.722 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -11.203 8.794 -2.261 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -10.872 6.451 -2.299 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.171 6.283 -0.581 1.00 1.01 H new ATOM 552 N ILE A 36 -7.863 7.428 -1.105 1.00 0.52 N ATOM 553 CA ILE A 36 -6.684 7.097 -1.887 1.00 0.48 C ATOM 554 C ILE A 36 -6.753 5.664 -2.399 1.00 0.46 C ATOM 555 O ILE A 36 -7.093 4.736 -1.660 1.00 0.53 O ATOM 556 CB ILE A 36 -5.381 7.290 -1.077 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.488 6.629 0.300 1.00 0.48 C ATOM 558 CG2 ILE A 36 -5.065 8.771 -0.937 1.00 0.51 C ATOM 559 CD1 ILE A 36 -4.208 6.691 1.106 1.00 0.51 C ATOM 0 H ILE A 36 -7.968 6.879 -0.252 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.668 7.783 -2.734 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.566 6.808 -1.617 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -6.286 7.112 0.864 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.776 5.586 0.171 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -4.145 8.894 -0.365 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.939 9.211 -1.926 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.884 9.270 -0.420 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.360 6.203 2.069 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.411 6.182 0.563 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.930 7.732 1.267 1.00 0.51 H new ATOM 571 N ASN A 37 -6.438 5.496 -3.672 1.00 0.44 N ATOM 572 CA ASN A 37 -6.453 4.186 -4.302 1.00 0.46 C ATOM 573 C ASN A 37 -5.037 3.663 -4.478 1.00 0.42 C ATOM 574 O ASN A 37 -4.215 4.299 -5.142 1.00 0.50 O ATOM 575 CB ASN A 37 -7.151 4.261 -5.665 1.00 0.54 C ATOM 576 CG ASN A 37 -7.293 2.902 -6.328 1.00 0.86 C ATOM 577 OD1 ASN A 37 -8.294 2.212 -6.146 1.00 1.82 O ATOM 578 ND2 ASN A 37 -6.298 2.510 -7.110 1.00 0.98 N ATOM 0 H ASN A 37 -6.167 6.257 -4.294 1.00 0.44 H new ATOM 0 HA ASN A 37 -7.003 3.501 -3.656 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -8.139 4.704 -5.538 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -6.587 4.923 -6.321 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -6.347 1.609 -7.585 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.483 3.110 -7.237 1.00 0.98 H new ATOM 585 N ILE A 38 -4.750 2.518 -3.878 1.00 0.36 N ATOM 586 CA ILE A 38 -3.437 1.911 -3.994 1.00 0.33 C ATOM 587 C ILE A 38 -3.345 1.160 -5.315 1.00 0.41 C ATOM 588 O ILE A 38 -4.123 0.237 -5.578 1.00 0.53 O ATOM 589 CB ILE A 38 -3.125 0.961 -2.815 1.00 0.36 C ATOM 590 CG1 ILE A 38 -3.034 1.752 -1.509 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.826 0.205 -3.065 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.896 0.880 -0.281 1.00 0.69 C ATOM 0 H ILE A 38 -5.410 1.992 -3.306 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.694 2.708 -3.965 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.935 0.236 -2.732 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -2.180 2.428 -1.562 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.925 2.371 -1.406 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.624 -0.458 -2.224 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.917 -0.384 -3.978 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -1.006 0.915 -3.172 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.837 1.509 0.607 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.761 0.222 -0.203 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.990 0.280 -0.361 1.00 0.69 H new ATOM 604 N ASP A 39 -2.402 1.576 -6.144 1.00 0.52 N ATOM 605 CA ASP A 39 -2.212 0.981 -7.458 1.00 0.73 C ATOM 606 C ASP A 39 -1.514 -0.363 -7.374 1.00 0.50 C ATOM 607 O ASP A 39 -2.094 -1.394 -7.722 1.00 0.64 O ATOM 608 CB ASP A 39 -1.400 1.907 -8.352 1.00 1.08 C ATOM 609 CG ASP A 39 -2.259 2.797 -9.222 1.00 1.73 C ATOM 610 OD1 ASP A 39 -3.313 2.334 -9.710 1.00 2.16 O ATOM 611 OD2 ASP A 39 -1.878 3.962 -9.433 1.00 2.47 O ATOM 0 H ASP A 39 -1.750 2.330 -5.928 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.204 0.830 -7.884 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -0.756 2.529 -7.731 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -0.748 1.308 -8.988 1.00 1.08 H new ATOM 616 N HIS A 40 -0.275 -0.358 -6.903 1.00 0.37 N ATOM 617 CA HIS A 40 0.494 -1.589 -6.813 1.00 0.44 C ATOM 618 C HIS A 40 1.401 -1.612 -5.590 1.00 0.39 C ATOM 619 O HIS A 40 1.642 -0.583 -4.952 1.00 0.42 O ATOM 620 CB HIS A 40 1.327 -1.795 -8.089 1.00 0.72 C ATOM 621 CG HIS A 40 2.374 -0.741 -8.342 1.00 0.72 C ATOM 622 ND1 HIS A 40 2.334 0.114 -9.423 1.00 1.59 N ATOM 623 CD2 HIS A 40 3.512 -0.433 -7.668 1.00 0.92 C ATOM 624 CE1 HIS A 40 3.398 0.901 -9.401 1.00 2.12 C ATOM 625 NE2 HIS A 40 4.124 0.588 -8.346 1.00 1.64 N ATOM 0 H HIS A 40 0.215 0.477 -6.580 1.00 0.37 H new ATOM 0 HA HIS A 40 -0.219 -2.407 -6.709 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.817 -2.767 -8.032 1.00 0.72 H new ATOM 0 HB3 HIS A 40 0.652 -1.828 -8.944 1.00 0.72 H new ATOM 0 HD2 HIS A 40 3.869 -0.906 -6.765 1.00 0.92 H new ATOM 0 HE1 HIS A 40 3.632 1.669 -10.124 1.00 2.12 H new ATOM 0 HE2 HIS A 40 5.001 1.035 -8.078 1.00 1.64 H new ATOM 634 N THR A 41 1.901 -2.800 -5.287 1.00 0.41 N ATOM 635 CA THR A 41 2.800 -3.014 -4.170 1.00 0.45 C ATOM 636 C THR A 41 3.920 -3.961 -4.604 1.00 0.54 C ATOM 637 O THR A 41 3.692 -5.157 -4.787 1.00 0.73 O ATOM 638 CB THR A 41 2.054 -3.618 -2.965 1.00 0.48 C ATOM 639 OG1 THR A 41 0.715 -3.102 -2.916 1.00 0.48 O ATOM 640 CG2 THR A 41 2.769 -3.298 -1.660 1.00 0.55 C ATOM 0 H THR A 41 1.691 -3.647 -5.815 1.00 0.41 H new ATOM 0 HA THR A 41 3.214 -2.052 -3.867 1.00 0.45 H new ATOM 0 HB THR A 41 2.030 -4.701 -3.088 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.610 -2.539 -2.121 1.00 0.48 H new ATOM 0 HG21 THR A 41 2.220 -3.737 -0.827 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.778 -3.710 -1.687 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.822 -2.217 -1.530 1.00 0.55 H new ATOM 648 N GLY A 42 5.114 -3.420 -4.784 1.00 0.55 N ATOM 649 CA GLY A 42 6.235 -4.234 -5.213 1.00 0.66 C ATOM 650 C GLY A 42 7.302 -4.344 -4.149 1.00 0.64 C ATOM 651 O GLY A 42 7.808 -3.333 -3.666 1.00 0.70 O ATOM 0 H GLY A 42 5.329 -2.433 -4.641 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.879 -5.231 -5.473 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.668 -3.805 -6.116 1.00 0.66 H new ATOM 655 N VAL A 43 7.628 -5.571 -3.766 1.00 0.67 N ATOM 656 CA VAL A 43 8.645 -5.816 -2.750 1.00 0.71 C ATOM 657 C VAL A 43 9.600 -6.911 -3.205 1.00 0.74 C ATOM 658 O VAL A 43 9.170 -7.953 -3.701 1.00 0.82 O ATOM 659 CB VAL A 43 8.028 -6.238 -1.397 1.00 0.79 C ATOM 660 CG1 VAL A 43 9.110 -6.373 -0.336 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.963 -5.248 -0.948 1.00 0.80 C ATOM 0 H VAL A 43 7.201 -6.416 -4.145 1.00 0.67 H new ATOM 0 HA VAL A 43 9.180 -4.876 -2.613 1.00 0.71 H new ATOM 0 HB VAL A 43 7.551 -7.208 -1.533 1.00 0.79 H new ATOM 0 HG11 VAL A 43 8.657 -6.671 0.610 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.832 -7.129 -0.646 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.617 -5.417 -0.210 1.00 0.93 H new ATOM 0 HG21 VAL A 43 6.546 -5.570 0.006 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.409 -4.260 -0.834 1.00 0.80 H new ATOM 0 HG23 VAL A 43 6.170 -5.204 -1.694 1.00 0.80 H new ATOM 671 N SER A 44 10.889 -6.668 -3.042 1.00 0.82 N ATOM 672 CA SER A 44 11.903 -7.637 -3.420 1.00 0.90 C ATOM 673 C SER A 44 12.297 -8.485 -2.216 1.00 1.01 C ATOM 674 O SER A 44 12.809 -7.970 -1.221 1.00 1.32 O ATOM 675 CB SER A 44 13.129 -6.927 -3.981 1.00 1.27 C ATOM 676 OG SER A 44 12.753 -5.791 -4.746 1.00 1.83 O ATOM 0 H SER A 44 11.260 -5.803 -2.648 1.00 0.82 H new ATOM 0 HA SER A 44 11.491 -8.289 -4.190 1.00 0.90 H new ATOM 0 HB2 SER A 44 13.782 -6.620 -3.164 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.700 -7.616 -4.603 1.00 1.27 H new ATOM 0 HG SER A 44 12.497 -5.061 -4.144 1.00 1.83 H new ATOM 682 N ASP A 45 12.047 -9.776 -2.314 1.00 1.10 N ATOM 683 CA ASP A 45 12.368 -10.703 -1.238 1.00 1.45 C ATOM 684 C ASP A 45 13.011 -11.961 -1.798 1.00 1.27 C ATOM 685 O ASP A 45 12.364 -12.751 -2.488 1.00 1.73 O ATOM 686 CB ASP A 45 11.108 -11.072 -0.444 1.00 2.05 C ATOM 687 CG ASP A 45 11.418 -11.854 0.825 1.00 2.57 C ATOM 688 OD1 ASP A 45 12.568 -12.318 0.977 1.00 3.12 O ATOM 689 OD2 ASP A 45 10.517 -12.016 1.674 1.00 2.90 O ATOM 0 H ASP A 45 11.620 -10.212 -3.131 1.00 1.10 H new ATOM 0 HA ASP A 45 13.072 -10.212 -0.566 1.00 1.45 H new ATOM 0 HB2 ASP A 45 10.570 -10.161 -0.182 1.00 2.05 H new ATOM 0 HB3 ASP A 45 10.445 -11.663 -1.077 1.00 2.05 H new ATOM 694 N GLU A 46 14.289 -12.128 -1.518 1.00 1.36 N ATOM 695 CA GLU A 46 15.029 -13.291 -1.969 1.00 1.66 C ATOM 696 C GLU A 46 15.469 -14.117 -0.764 1.00 1.96 C ATOM 697 O GLU A 46 16.329 -14.994 -0.865 1.00 2.52 O ATOM 698 CB GLU A 46 16.243 -12.868 -2.806 1.00 2.19 C ATOM 699 CG GLU A 46 17.240 -11.991 -2.061 1.00 2.65 C ATOM 700 CD GLU A 46 16.797 -10.547 -1.961 1.00 3.34 C ATOM 701 OE1 GLU A 46 17.056 -9.777 -2.908 1.00 3.80 O ATOM 702 OE2 GLU A 46 16.195 -10.174 -0.935 1.00 3.79 O ATOM 0 H GLU A 46 14.842 -11.465 -0.974 1.00 1.36 H new ATOM 0 HA GLU A 46 14.382 -13.900 -2.600 1.00 1.66 H new ATOM 0 HB2 GLU A 46 16.756 -13.762 -3.159 1.00 2.19 H new ATOM 0 HB3 GLU A 46 15.893 -12.332 -3.688 1.00 2.19 H new ATOM 0 HG2 GLU A 46 17.388 -12.390 -1.058 1.00 2.65 H new ATOM 0 HG3 GLU A 46 18.204 -12.035 -2.567 1.00 2.65 H new ATOM 709 N LEU A 47 14.862 -13.828 0.380 1.00 2.08 N ATOM 710 CA LEU A 47 15.180 -14.529 1.615 1.00 2.74 C ATOM 711 C LEU A 47 13.985 -15.340 2.088 1.00 2.84 C ATOM 712 O LEU A 47 14.114 -16.509 2.451 1.00 3.61 O ATOM 713 CB LEU A 47 15.595 -13.535 2.703 1.00 3.16 C ATOM 714 CG LEU A 47 16.804 -12.662 2.359 1.00 3.70 C ATOM 715 CD1 LEU A 47 17.045 -11.631 3.449 1.00 4.35 C ATOM 716 CD2 LEU A 47 18.042 -13.523 2.156 1.00 4.47 C ATOM 0 H LEU A 47 14.144 -13.110 0.477 1.00 2.08 H new ATOM 0 HA LEU A 47 16.012 -15.206 1.419 1.00 2.74 H new ATOM 0 HB2 LEU A 47 14.748 -12.885 2.922 1.00 3.16 H new ATOM 0 HB3 LEU A 47 15.815 -14.090 3.615 1.00 3.16 H new ATOM 0 HG LEU A 47 16.594 -12.135 1.428 1.00 3.70 H new ATOM 0 HD11 LEU A 47 17.908 -11.020 3.187 1.00 4.35 H new ATOM 0 HD12 LEU A 47 16.166 -10.994 3.548 1.00 4.35 H new ATOM 0 HD13 LEU A 47 17.234 -12.139 4.395 1.00 4.35 H new ATOM 0 HD21 LEU A 47 18.892 -12.886 1.912 1.00 4.47 H new ATOM 0 HD22 LEU A 47 18.254 -14.077 3.071 1.00 4.47 H new ATOM 0 HD23 LEU A 47 17.868 -14.224 1.340 1.00 4.47 H new ATOM 728 N GLY A 48 12.818 -14.719 2.056 1.00 2.46 N ATOM 729 CA GLY A 48 11.609 -15.383 2.487 1.00 3.19 C ATOM 730 C GLY A 48 11.131 -14.863 3.822 1.00 3.20 C ATOM 731 O GLY A 48 10.997 -15.623 4.781 1.00 3.86 O ATOM 0 H GLY A 48 12.687 -13.759 1.736 1.00 2.46 H new ATOM 0 HA2 GLY A 48 10.829 -15.239 1.740 1.00 3.19 H new ATOM 0 HA3 GLY A 48 11.788 -16.456 2.558 1.00 3.19 H new ATOM 735 N GLY A 49 10.874 -13.566 3.887 1.00 2.85 N ATOM 736 CA GLY A 49 10.420 -12.967 5.123 1.00 3.05 C ATOM 737 C GLY A 49 10.743 -11.490 5.215 1.00 2.17 C ATOM 738 O GLY A 49 10.868 -10.947 6.312 1.00 2.73 O ATOM 0 H GLY A 49 10.972 -12.918 3.106 1.00 2.85 H new ATOM 0 HA2 GLY A 49 9.342 -13.105 5.213 1.00 3.05 H new ATOM 0 HA3 GLY A 49 10.879 -13.487 5.963 1.00 3.05 H new ATOM 742 N GLN A 50 10.883 -10.831 4.075 1.00 1.42 N ATOM 743 CA GLN A 50 11.181 -9.408 4.058 1.00 1.52 C ATOM 744 C GLN A 50 9.888 -8.611 4.142 1.00 1.37 C ATOM 745 O GLN A 50 9.247 -8.330 3.126 1.00 2.20 O ATOM 746 CB GLN A 50 11.962 -9.028 2.796 1.00 2.43 C ATOM 747 CG GLN A 50 13.421 -9.466 2.818 1.00 2.96 C ATOM 748 CD GLN A 50 14.241 -8.721 3.855 1.00 3.04 C ATOM 749 OE1 GLN A 50 14.764 -7.636 3.589 1.00 3.39 O ATOM 750 NE2 GLN A 50 14.377 -9.304 5.036 1.00 3.44 N ATOM 0 H GLN A 50 10.795 -11.257 3.153 1.00 1.42 H new ATOM 0 HA GLN A 50 11.803 -9.172 4.922 1.00 1.52 H new ATOM 0 HB2 GLN A 50 11.472 -9.473 1.930 1.00 2.43 H new ATOM 0 HB3 GLN A 50 11.919 -7.947 2.666 1.00 2.43 H new ATOM 0 HG2 GLN A 50 13.472 -10.536 3.021 1.00 2.96 H new ATOM 0 HG3 GLN A 50 13.859 -9.307 1.832 1.00 2.96 H new ATOM 0 HE21 GLN A 50 13.928 -10.202 5.216 1.00 3.44 H new ATOM 0 HE22 GLN A 50 14.931 -8.855 5.766 1.00 3.44 H new ATOM 759 N GLY A 51 9.501 -8.252 5.358 1.00 1.01 N ATOM 760 CA GLY A 51 8.276 -7.506 5.560 1.00 1.11 C ATOM 761 C GLY A 51 8.427 -6.026 5.263 1.00 0.88 C ATOM 762 O GLY A 51 7.953 -5.184 6.028 1.00 0.86 O ATOM 0 H GLY A 51 10.017 -8.465 6.212 1.00 1.01 H new ATOM 0 HA2 GLY A 51 7.495 -7.921 4.923 1.00 1.11 H new ATOM 0 HA3 GLY A 51 7.946 -7.632 6.591 1.00 1.11 H new ATOM 766 N VAL A 52 9.063 -5.707 4.143 1.00 0.80 N ATOM 767 CA VAL A 52 9.272 -4.320 3.748 1.00 0.68 C ATOM 768 C VAL A 52 7.946 -3.686 3.346 1.00 0.58 C ATOM 769 O VAL A 52 7.682 -2.523 3.651 1.00 0.56 O ATOM 770 CB VAL A 52 10.268 -4.202 2.576 1.00 0.70 C ATOM 771 CG1 VAL A 52 10.994 -2.871 2.626 1.00 0.91 C ATOM 772 CG2 VAL A 52 11.262 -5.351 2.584 1.00 1.14 C ATOM 0 H VAL A 52 9.444 -6.392 3.490 1.00 0.80 H new ATOM 0 HA VAL A 52 9.692 -3.796 4.607 1.00 0.68 H new ATOM 0 HB VAL A 52 9.701 -4.254 1.647 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.692 -2.806 1.792 1.00 0.91 H new ATOM 0 HG12 VAL A 52 10.270 -2.059 2.558 1.00 0.91 H new ATOM 0 HG13 VAL A 52 11.542 -2.790 3.565 1.00 0.91 H new ATOM 0 HG21 VAL A 52 11.951 -5.242 1.747 1.00 1.14 H new ATOM 0 HG22 VAL A 52 11.822 -5.341 3.519 1.00 1.14 H new ATOM 0 HG23 VAL A 52 10.727 -6.296 2.492 1.00 1.14 H new ATOM 782 N GLY A 53 7.107 -4.474 2.676 1.00 0.59 N ATOM 783 CA GLY A 53 5.807 -3.988 2.248 1.00 0.58 C ATOM 784 C GLY A 53 4.915 -3.636 3.422 1.00 0.51 C ATOM 785 O GLY A 53 4.060 -2.755 3.322 1.00 0.50 O ATOM 0 H GLY A 53 7.306 -5.442 2.422 1.00 0.59 H new ATOM 0 HA2 GLY A 53 5.939 -3.109 1.617 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.319 -4.748 1.638 1.00 0.58 H new ATOM 789 N LYS A 54 5.132 -4.321 4.542 1.00 0.52 N ATOM 790 CA LYS A 54 4.357 -4.082 5.751 1.00 0.50 C ATOM 791 C LYS A 54 4.656 -2.691 6.296 1.00 0.48 C ATOM 792 O LYS A 54 3.763 -2.002 6.784 1.00 0.48 O ATOM 793 CB LYS A 54 4.674 -5.141 6.809 1.00 0.59 C ATOM 794 CG LYS A 54 3.866 -6.424 6.666 1.00 0.75 C ATOM 795 CD LYS A 54 4.465 -7.549 7.498 1.00 1.08 C ATOM 796 CE LYS A 54 3.400 -8.405 8.166 1.00 1.49 C ATOM 797 NZ LYS A 54 2.334 -7.590 8.805 1.00 2.02 N ATOM 0 H LYS A 54 5.841 -5.048 4.635 1.00 0.52 H new ATOM 0 HA LYS A 54 3.297 -4.146 5.503 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.735 -5.385 6.757 1.00 0.59 H new ATOM 0 HB3 LYS A 54 4.492 -4.718 7.797 1.00 0.59 H new ATOM 0 HG2 LYS A 54 2.837 -6.245 6.979 1.00 0.75 H new ATOM 0 HG3 LYS A 54 3.834 -6.721 5.618 1.00 0.75 H new ATOM 0 HD2 LYS A 54 5.086 -8.178 6.860 1.00 1.08 H new ATOM 0 HD3 LYS A 54 5.118 -7.125 8.261 1.00 1.08 H new ATOM 0 HE2 LYS A 54 2.952 -9.066 7.424 1.00 1.49 H new ATOM 0 HE3 LYS A 54 3.868 -9.040 8.918 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 2.234 -7.869 9.802 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 2.588 -6.583 8.752 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 1.433 -7.747 8.309 1.00 2.02 H new ATOM 811 N LYS A 55 5.916 -2.279 6.193 1.00 0.51 N ATOM 812 CA LYS A 55 6.332 -0.965 6.663 1.00 0.54 C ATOM 813 C LYS A 55 5.724 0.123 5.788 1.00 0.47 C ATOM 814 O LYS A 55 5.276 1.159 6.280 1.00 0.48 O ATOM 815 CB LYS A 55 7.855 -0.847 6.640 1.00 0.65 C ATOM 816 CG LYS A 55 8.566 -1.865 7.514 1.00 1.28 C ATOM 817 CD LYS A 55 10.073 -1.761 7.360 1.00 1.72 C ATOM 818 CE LYS A 55 10.789 -2.747 8.263 1.00 2.30 C ATOM 819 NZ LYS A 55 12.260 -2.708 8.061 1.00 2.57 N ATOM 0 H LYS A 55 6.666 -2.838 5.787 1.00 0.51 H new ATOM 0 HA LYS A 55 5.982 -0.841 7.688 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.202 -0.959 5.613 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.137 0.155 6.964 1.00 0.65 H new ATOM 0 HG2 LYS A 55 8.292 -1.707 8.557 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.239 -2.870 7.247 1.00 1.28 H new ATOM 0 HD2 LYS A 55 10.348 -1.949 6.322 1.00 1.72 H new ATOM 0 HD3 LYS A 55 10.396 -0.747 7.597 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.558 -2.521 9.304 1.00 2.30 H new ATOM 0 HE3 LYS A 55 10.421 -3.754 8.066 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 12.716 -3.395 8.695 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 12.481 -2.948 7.074 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 12.614 -1.753 8.273 1.00 2.57 H new ATOM 833 N LEU A 56 5.708 -0.131 4.487 1.00 0.46 N ATOM 834 CA LEU A 56 5.158 0.814 3.526 1.00 0.45 C ATOM 835 C LEU A 56 3.671 1.026 3.772 1.00 0.38 C ATOM 836 O LEU A 56 3.205 2.163 3.871 1.00 0.37 O ATOM 837 CB LEU A 56 5.377 0.309 2.101 1.00 0.54 C ATOM 838 CG LEU A 56 6.838 0.158 1.677 1.00 0.65 C ATOM 839 CD1 LEU A 56 6.921 -0.477 0.301 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.542 1.509 1.680 1.00 0.85 C ATOM 0 H LEU A 56 6.072 -0.988 4.071 1.00 0.46 H new ATOM 0 HA LEU A 56 5.674 1.766 3.652 1.00 0.45 H new ATOM 0 HB2 LEU A 56 4.884 -0.657 1.996 1.00 0.54 H new ATOM 0 HB3 LEU A 56 4.885 0.994 1.411 1.00 0.54 H new ATOM 0 HG LEU A 56 7.340 -0.491 2.395 1.00 0.65 H new ATOM 0 HD11 LEU A 56 7.966 -0.579 0.010 1.00 0.86 H new ATOM 0 HD12 LEU A 56 6.453 -1.461 0.326 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.403 0.153 -0.422 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.580 1.379 1.375 1.00 0.85 H new ATOM 0 HD22 LEU A 56 7.041 2.182 0.984 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.509 1.934 2.683 1.00 0.85 H new ATOM 852 N LEU A 57 2.931 -0.071 3.887 1.00 0.37 N ATOM 853 CA LEU A 57 1.498 0.005 4.131 1.00 0.36 C ATOM 854 C LEU A 57 1.225 0.648 5.485 1.00 0.34 C ATOM 855 O LEU A 57 0.240 1.363 5.652 1.00 0.37 O ATOM 856 CB LEU A 57 0.863 -1.384 4.068 1.00 0.43 C ATOM 857 CG LEU A 57 -0.669 -1.393 4.082 1.00 0.72 C ATOM 858 CD1 LEU A 57 -1.222 -0.702 2.846 1.00 1.29 C ATOM 859 CD2 LEU A 57 -1.197 -2.814 4.174 1.00 0.71 C ATOM 0 H LEU A 57 3.299 -1.020 3.815 1.00 0.37 H new ATOM 0 HA LEU A 57 1.051 0.623 3.352 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.207 -1.884 3.163 1.00 0.43 H new ATOM 0 HB3 LEU A 57 1.223 -1.971 4.913 1.00 0.43 H new ATOM 0 HG LEU A 57 -1.003 -0.844 4.962 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -2.311 -0.720 2.876 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.876 0.331 2.822 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.875 -1.222 1.953 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -2.287 -2.797 4.183 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.850 -3.388 3.315 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -0.834 -3.278 5.091 1.00 0.71 H new ATOM 871 N LYS A 58 2.114 0.399 6.442 1.00 0.36 N ATOM 872 CA LYS A 58 1.982 0.967 7.778 1.00 0.42 C ATOM 873 C LYS A 58 1.968 2.489 7.695 1.00 0.41 C ATOM 874 O LYS A 58 1.112 3.142 8.285 1.00 0.44 O ATOM 875 CB LYS A 58 3.136 0.498 8.673 1.00 0.50 C ATOM 876 CG LYS A 58 2.748 0.280 10.130 1.00 0.74 C ATOM 877 CD LYS A 58 2.648 1.589 10.909 1.00 1.10 C ATOM 878 CE LYS A 58 4.006 2.262 11.058 1.00 1.13 C ATOM 879 NZ LYS A 58 4.030 3.238 12.177 1.00 1.39 N ATOM 0 H LYS A 58 2.935 -0.194 6.316 1.00 0.36 H new ATOM 0 HA LYS A 58 1.043 0.626 8.214 1.00 0.42 H new ATOM 0 HB2 LYS A 58 3.536 -0.433 8.272 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.938 1.235 8.629 1.00 0.50 H new ATOM 0 HG2 LYS A 58 1.791 -0.240 10.174 1.00 0.74 H new ATOM 0 HG3 LYS A 58 3.484 -0.367 10.606 1.00 0.74 H new ATOM 0 HD2 LYS A 58 1.961 2.264 10.399 1.00 1.10 H new ATOM 0 HD3 LYS A 58 2.229 1.394 11.896 1.00 1.10 H new ATOM 0 HE2 LYS A 58 4.770 1.502 11.225 1.00 1.13 H new ATOM 0 HE3 LYS A 58 4.261 2.771 10.129 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 4.917 3.779 12.147 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 3.224 3.889 12.087 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 3.965 2.730 13.082 1.00 1.39 H new ATOM 893 N ALA A 59 2.918 3.040 6.944 1.00 0.43 N ATOM 894 CA ALA A 59 3.020 4.484 6.770 1.00 0.48 C ATOM 895 C ALA A 59 1.797 5.023 6.036 1.00 0.44 C ATOM 896 O ALA A 59 1.260 6.074 6.391 1.00 0.47 O ATOM 897 CB ALA A 59 4.295 4.836 6.015 1.00 0.56 C ATOM 0 H ALA A 59 3.629 2.506 6.445 1.00 0.43 H new ATOM 0 HA ALA A 59 3.060 4.950 7.755 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.358 5.917 5.892 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.160 4.483 6.577 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.281 4.360 5.035 1.00 0.56 H new ATOM 903 N VAL A 60 1.355 4.285 5.021 1.00 0.39 N ATOM 904 CA VAL A 60 0.191 4.679 4.237 1.00 0.38 C ATOM 905 C VAL A 60 -1.055 4.751 5.114 1.00 0.37 C ATOM 906 O VAL A 60 -1.738 5.776 5.146 1.00 0.40 O ATOM 907 CB VAL A 60 -0.059 3.704 3.062 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.386 4.001 2.375 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.082 3.776 2.058 1.00 0.41 C ATOM 0 H VAL A 60 1.787 3.410 4.723 1.00 0.39 H new ATOM 0 HA VAL A 60 0.399 5.667 3.828 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.106 2.694 3.469 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.535 3.300 1.553 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -2.199 3.896 3.093 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -1.374 5.019 1.986 1.00 0.44 H new ATOM 0 HG21 VAL A 60 0.890 3.084 1.238 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.158 4.790 1.666 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.017 3.506 2.549 1.00 0.41 H new ATOM 919 N VAL A 61 -1.328 3.667 5.838 1.00 0.36 N ATOM 920 CA VAL A 61 -2.490 3.599 6.720 1.00 0.40 C ATOM 921 C VAL A 61 -2.406 4.667 7.809 1.00 0.44 C ATOM 922 O VAL A 61 -3.382 5.369 8.081 1.00 0.49 O ATOM 923 CB VAL A 61 -2.619 2.205 7.378 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.735 2.190 8.416 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.855 1.132 6.323 1.00 0.43 C ATOM 0 H VAL A 61 -0.758 2.821 5.830 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.372 3.778 6.106 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.681 1.987 7.888 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.803 1.198 8.862 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.519 2.924 9.193 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.682 2.438 7.936 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.943 0.159 6.807 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.774 1.352 5.780 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -2.017 1.116 5.626 1.00 0.43 H new ATOM 935 N GLU A 62 -1.229 4.795 8.409 1.00 0.47 N ATOM 936 CA GLU A 62 -1.004 5.772 9.466 1.00 0.54 C ATOM 937 C GLU A 62 -1.294 7.185 8.969 1.00 0.55 C ATOM 938 O GLU A 62 -2.083 7.917 9.573 1.00 0.61 O ATOM 939 CB GLU A 62 0.435 5.671 9.968 1.00 0.61 C ATOM 940 CG GLU A 62 0.711 6.505 11.203 1.00 1.05 C ATOM 941 CD GLU A 62 2.054 6.188 11.823 1.00 1.17 C ATOM 942 OE1 GLU A 62 2.174 5.150 12.507 1.00 1.76 O ATOM 943 OE2 GLU A 62 3.002 6.976 11.624 1.00 1.53 O ATOM 0 H GLU A 62 -0.411 4.230 8.179 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.685 5.556 10.289 1.00 0.54 H new ATOM 0 HB2 GLU A 62 0.661 4.628 10.187 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.111 5.983 9.172 1.00 0.61 H new ATOM 0 HG2 GLU A 62 0.676 7.562 10.940 1.00 1.05 H new ATOM 0 HG3 GLU A 62 -0.075 6.333 11.938 1.00 1.05 H new ATOM 950 N HIS A 63 -0.674 7.548 7.852 1.00 0.54 N ATOM 951 CA HIS A 63 -0.855 8.868 7.259 1.00 0.61 C ATOM 952 C HIS A 63 -2.309 9.082 6.846 1.00 0.61 C ATOM 953 O HIS A 63 -2.868 10.167 7.033 1.00 0.69 O ATOM 954 CB HIS A 63 0.076 9.026 6.048 1.00 0.67 C ATOM 955 CG HIS A 63 -0.103 10.310 5.294 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.387 11.520 5.733 1.00 0.85 N ATOM 957 CD2 HIS A 63 -0.721 10.564 4.116 1.00 0.97 C ATOM 958 CE1 HIS A 63 0.078 12.460 4.861 1.00 0.97 C ATOM 959 NE2 HIS A 63 -0.594 11.906 3.872 1.00 1.04 N ATOM 0 H HIS A 63 -0.037 6.942 7.335 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.602 9.623 8.003 1.00 0.61 H new ATOM 0 HB2 HIS A 63 1.109 8.959 6.388 1.00 0.67 H new ATOM 0 HB3 HIS A 63 -0.090 8.192 5.366 1.00 0.67 H new ATOM 0 HD2 HIS A 63 -1.221 9.843 3.486 1.00 0.97 H new ATOM 0 HE1 HIS A 63 0.333 13.506 4.943 1.00 0.97 H new ATOM 0 HE2 HIS A 63 -0.960 12.397 3.057 1.00 1.04 H new ATOM 968 N ALA A 64 -2.917 8.043 6.285 1.00 0.56 N ATOM 969 CA ALA A 64 -4.303 8.115 5.848 1.00 0.62 C ATOM 970 C ALA A 64 -5.229 8.361 7.028 1.00 0.70 C ATOM 971 O ALA A 64 -6.069 9.253 6.988 1.00 0.85 O ATOM 972 CB ALA A 64 -4.702 6.841 5.120 1.00 0.61 C ATOM 0 H ALA A 64 -2.470 7.141 6.123 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.397 8.953 5.157 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.742 6.915 4.801 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -4.064 6.706 4.247 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.587 5.988 5.789 1.00 0.61 H new ATOM 978 N ARG A 65 -5.048 7.587 8.089 1.00 0.69 N ATOM 979 CA ARG A 65 -5.872 7.711 9.284 1.00 0.82 C ATOM 980 C ARG A 65 -5.735 9.099 9.907 1.00 0.85 C ATOM 981 O ARG A 65 -6.713 9.663 10.399 1.00 0.96 O ATOM 982 CB ARG A 65 -5.498 6.633 10.299 1.00 0.89 C ATOM 983 CG ARG A 65 -6.673 6.159 11.138 1.00 1.36 C ATOM 984 CD ARG A 65 -6.288 4.986 12.019 1.00 1.44 C ATOM 985 NE ARG A 65 -7.432 4.475 12.769 1.00 2.20 N ATOM 986 CZ ARG A 65 -7.328 3.729 13.867 1.00 2.25 C ATOM 987 NH1 ARG A 65 -6.131 3.365 14.316 1.00 1.87 N ATOM 988 NH2 ARG A 65 -8.420 3.338 14.516 1.00 3.12 N ATOM 0 H ARG A 65 -4.333 6.862 8.147 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.913 7.575 8.992 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -5.071 5.780 9.771 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -4.722 7.020 10.960 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -7.033 6.979 11.759 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -7.496 5.870 10.484 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -5.872 4.189 11.403 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -5.506 5.294 12.713 1.00 1.44 H new ATOM 0 HE ARG A 65 -8.367 4.703 12.431 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -5.289 3.657 13.819 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -6.054 2.794 15.157 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -9.342 3.609 14.173 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -8.336 2.767 15.357 1.00 3.12 H new ATOM 1002 N GLU A 66 -4.528 9.654 9.861 1.00 0.79 N ATOM 1003 CA GLU A 66 -4.271 10.979 10.419 1.00 0.88 C ATOM 1004 C GLU A 66 -5.027 12.065 9.655 1.00 0.89 C ATOM 1005 O GLU A 66 -5.385 13.102 10.215 1.00 1.00 O ATOM 1006 CB GLU A 66 -2.774 11.288 10.393 1.00 0.90 C ATOM 1007 CG GLU A 66 -1.957 10.487 11.390 1.00 1.05 C ATOM 1008 CD GLU A 66 -0.527 10.972 11.481 1.00 1.33 C ATOM 1009 OE1 GLU A 66 -0.279 11.973 12.185 1.00 1.38 O ATOM 1010 OE2 GLU A 66 0.358 10.364 10.846 1.00 1.82 O ATOM 0 H GLU A 66 -3.712 9.207 9.443 1.00 0.79 H new ATOM 0 HA GLU A 66 -4.625 10.973 11.450 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -2.392 11.097 9.390 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -2.630 12.350 10.592 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -2.423 10.551 12.373 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -1.964 9.436 11.101 1.00 1.05 H new ATOM 1017 N ASN A 67 -5.266 11.824 8.374 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.963 12.797 7.537 1.00 0.87 C ATOM 1019 C ASN A 67 -7.383 12.342 7.209 1.00 0.89 C ATOM 1020 O ASN A 67 -8.031 12.904 6.330 1.00 0.97 O ATOM 1021 CB ASN A 67 -5.180 13.039 6.243 1.00 0.86 C ATOM 1022 CG ASN A 67 -3.967 13.927 6.450 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -4.037 15.144 6.281 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -2.843 13.325 6.816 1.00 1.09 N ATOM 0 H ASN A 67 -4.990 10.969 7.891 1.00 0.82 H new ATOM 0 HA ASN A 67 -6.030 13.728 8.099 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -4.859 12.081 5.833 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.839 13.497 5.505 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -1.997 13.874 6.967 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -2.825 12.313 6.946 1.00 1.09 H new ATOM 1031 N ASN A 68 -7.856 11.318 7.924 1.00 0.88 N ATOM 1032 CA ASN A 68 -9.206 10.771 7.723 1.00 0.94 C ATOM 1033 C ASN A 68 -9.425 10.355 6.264 1.00 0.87 C ATOM 1034 O ASN A 68 -10.508 10.537 5.699 1.00 0.94 O ATOM 1035 CB ASN A 68 -10.274 11.788 8.159 1.00 1.10 C ATOM 1036 CG ASN A 68 -11.665 11.179 8.281 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -11.743 9.922 8.694 1.00 1.99 O flip ATOM 1038 ND2 ASN A 68 -12.669 11.840 8.015 1.00 2.18 N flip ATOM 0 H ASN A 68 -7.321 10.846 8.653 1.00 0.88 H new ATOM 0 HA ASN A 68 -9.300 9.880 8.344 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -9.987 12.218 9.118 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -10.304 12.606 7.439 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -12.575 12.805 7.699 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -13.595 11.422 8.110 1.00 2.18 H new ATOM 1045 N LEU A 69 -8.390 9.799 5.658 1.00 0.78 N ATOM 1046 CA LEU A 69 -8.460 9.351 4.279 1.00 0.73 C ATOM 1047 C LEU A 69 -8.872 7.886 4.230 1.00 0.70 C ATOM 1048 O LEU A 69 -8.499 7.098 5.102 1.00 0.70 O ATOM 1049 CB LEU A 69 -7.106 9.516 3.580 1.00 0.66 C ATOM 1050 CG LEU A 69 -6.426 10.878 3.745 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -5.050 10.865 3.096 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -7.279 11.980 3.142 1.00 0.77 C ATOM 0 H LEU A 69 -7.485 9.647 6.104 1.00 0.78 H new ATOM 0 HA LEU A 69 -9.200 9.962 3.762 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -6.430 8.747 3.955 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -7.244 9.328 2.515 1.00 0.66 H new ATOM 0 HG LEU A 69 -6.310 11.075 4.811 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -4.579 11.840 3.222 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -4.433 10.100 3.568 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -5.151 10.645 2.033 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -6.778 12.939 3.270 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -7.426 11.786 2.079 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -8.247 12.007 3.643 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.660 7.538 3.233 1.00 0.72 N ATOM 1065 CA LYS A 70 -10.102 6.168 3.049 1.00 0.70 C ATOM 1066 C LYS A 70 -9.160 5.464 2.084 1.00 0.62 C ATOM 1067 O LYS A 70 -8.630 6.092 1.168 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.535 6.148 2.525 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.543 6.739 3.496 1.00 0.80 C ATOM 1070 CD LYS A 70 -13.950 6.706 2.928 1.00 1.70 C ATOM 1071 CE LYS A 70 -14.140 7.743 1.836 1.00 1.93 C ATOM 1072 NZ LYS A 70 -15.123 7.294 0.815 1.00 3.05 N ATOM 0 H LYS A 70 -10.011 8.190 2.532 1.00 0.72 H new ATOM 0 HA LYS A 70 -10.085 5.643 4.004 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.578 6.701 1.587 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.818 5.119 2.302 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -12.515 6.184 4.433 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -12.267 7.768 3.727 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -14.157 5.714 2.527 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -14.669 6.884 3.727 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -14.478 8.680 2.279 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -13.183 7.945 1.355 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -15.443 8.112 0.258 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -14.675 6.600 0.184 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -15.939 6.856 1.288 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.944 4.174 2.284 1.00 0.62 N ATOM 1087 CA ILE A 71 -8.030 3.432 1.432 1.00 0.57 C ATOM 1088 C ILE A 71 -8.724 2.334 0.634 1.00 0.56 C ATOM 1089 O ILE A 71 -9.412 1.471 1.189 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.882 2.804 2.249 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -6.143 3.881 3.044 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -5.916 2.064 1.333 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -5.001 3.345 3.878 1.00 0.86 C ATOM 0 H ILE A 71 -9.384 3.624 3.021 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.627 4.162 0.730 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.310 2.087 2.949 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -5.756 4.629 2.352 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -6.852 4.388 3.698 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.113 1.628 1.927 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.449 1.272 0.806 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.494 2.762 0.609 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.525 4.166 4.413 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -5.384 2.618 4.595 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -4.270 2.863 3.228 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.529 2.386 -0.674 1.00 0.53 N ATOM 1106 CA ILE A 72 -9.075 1.393 -1.585 1.00 0.54 C ATOM 1107 C ILE A 72 -7.947 0.832 -2.443 1.00 0.50 C ATOM 1108 O ILE A 72 -7.453 1.502 -3.347 1.00 0.75 O ATOM 1109 CB ILE A 72 -10.180 1.964 -2.504 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.952 3.451 -2.781 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.551 1.744 -1.887 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.769 3.987 -3.939 1.00 0.99 C ATOM 0 H ILE A 72 -7.988 3.118 -1.134 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.533 0.611 -0.979 1.00 0.54 H new ATOM 0 HB ILE A 72 -10.135 1.432 -3.455 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -10.194 4.020 -1.883 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.894 3.615 -2.987 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -12.317 2.152 -2.547 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.721 0.676 -1.750 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.600 2.246 -0.921 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -10.555 5.047 -4.076 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.511 3.444 -4.848 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.830 3.856 -3.727 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.518 -0.382 -2.142 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.431 -1.004 -2.885 1.00 0.43 C ATOM 1126 C ALA A 73 -6.953 -1.866 -4.024 1.00 0.43 C ATOM 1127 O ALA A 73 -7.838 -2.698 -3.830 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.559 -1.832 -1.955 1.00 0.50 C ATOM 0 H ALA A 73 -7.903 -0.956 -1.392 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.829 -0.206 -3.320 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.751 -2.290 -2.526 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.138 -1.189 -1.182 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.162 -2.612 -1.489 1.00 0.50 H new ATOM 1134 N SER A 74 -6.402 -1.660 -5.211 1.00 0.48 N ATOM 1135 CA SER A 74 -6.805 -2.427 -6.376 1.00 0.53 C ATOM 1136 C SER A 74 -5.992 -3.717 -6.463 1.00 0.46 C ATOM 1137 O SER A 74 -6.397 -4.684 -7.108 1.00 0.55 O ATOM 1138 CB SER A 74 -6.614 -1.589 -7.638 1.00 0.69 C ATOM 1139 OG SER A 74 -7.177 -0.295 -7.474 1.00 0.94 O ATOM 0 H SER A 74 -5.675 -0.968 -5.391 1.00 0.48 H new ATOM 0 HA SER A 74 -7.859 -2.689 -6.285 1.00 0.53 H new ATOM 0 HB2 SER A 74 -5.551 -1.502 -7.865 1.00 0.69 H new ATOM 0 HB3 SER A 74 -7.081 -2.089 -8.486 1.00 0.69 H new ATOM 0 HG SER A 74 -7.364 0.094 -8.354 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.843 -3.717 -5.802 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.967 -4.874 -5.777 1.00 0.48 C ATOM 1147 C CYS A 75 -4.493 -5.893 -4.779 1.00 0.45 C ATOM 1148 O CYS A 75 -4.746 -5.557 -3.621 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.554 -4.436 -5.395 1.00 0.59 C ATOM 1150 SG CYS A 75 -2.435 -2.685 -4.969 1.00 1.31 S ATOM 0 H CYS A 75 -4.495 -2.918 -5.271 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.940 -5.333 -6.765 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.214 -5.032 -4.548 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -1.880 -4.647 -6.225 1.00 0.59 H new ATOM 0 HG CYS A 75 -1.206 -2.397 -4.656 1.00 1.31 H new ATOM 1156 N SER A 76 -4.656 -7.128 -5.229 1.00 0.57 N ATOM 1157 CA SER A 76 -5.168 -8.202 -4.388 1.00 0.64 C ATOM 1158 C SER A 76 -4.319 -8.392 -3.128 1.00 0.61 C ATOM 1159 O SER A 76 -4.850 -8.642 -2.045 1.00 0.61 O ATOM 1160 CB SER A 76 -5.203 -9.494 -5.195 1.00 0.82 C ATOM 1161 OG SER A 76 -5.175 -9.214 -6.585 1.00 1.12 O ATOM 0 H SER A 76 -4.438 -7.414 -6.183 1.00 0.57 H new ATOM 0 HA SER A 76 -6.174 -7.934 -4.065 1.00 0.64 H new ATOM 0 HB2 SER A 76 -4.352 -10.120 -4.927 1.00 0.82 H new ATOM 0 HB3 SER A 76 -6.103 -10.058 -4.950 1.00 0.82 H new ATOM 0 HG SER A 76 -5.196 -10.054 -7.088 1.00 1.12 H new ATOM 1167 N PHE A 77 -3.006 -8.254 -3.273 1.00 0.63 N ATOM 1168 CA PHE A 77 -2.092 -8.420 -2.152 1.00 0.62 C ATOM 1169 C PHE A 77 -2.312 -7.339 -1.097 1.00 0.55 C ATOM 1170 O PHE A 77 -2.576 -7.639 0.069 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.642 -8.395 -2.642 1.00 0.68 C ATOM 1172 CG PHE A 77 0.362 -8.728 -1.574 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.422 -10.005 -1.040 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.241 -7.765 -1.104 1.00 0.77 C ATOM 1175 CE1 PHE A 77 1.342 -10.315 -0.057 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.161 -8.072 -0.121 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.210 -9.346 0.402 1.00 0.95 C ATOM 0 H PHE A 77 -2.551 -8.027 -4.157 1.00 0.63 H new ATOM 0 HA PHE A 77 -2.294 -9.387 -1.692 1.00 0.62 H new ATOM 0 HB2 PHE A 77 -0.533 -9.103 -3.464 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.420 -7.406 -3.042 1.00 0.68 H new ATOM 0 HD1 PHE A 77 -0.257 -10.766 -1.396 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.206 -6.765 -1.510 1.00 0.77 H new ATOM 0 HE1 PHE A 77 1.382 -11.314 0.351 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.842 -7.314 0.238 1.00 0.87 H new ATOM 0 HZ PHE A 77 2.928 -9.586 1.172 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.225 -6.085 -1.521 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.400 -4.951 -0.621 1.00 0.46 C ATOM 1189 C ALA A 78 -3.800 -4.935 -0.015 1.00 0.44 C ATOM 1190 O ALA A 78 -3.969 -4.636 1.167 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.125 -3.648 -1.352 1.00 0.47 C ATOM 0 H ALA A 78 -2.033 -5.826 -2.489 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.684 -5.056 0.194 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.260 -2.811 -0.667 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.101 -3.650 -1.726 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.817 -3.547 -2.188 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.800 -5.266 -0.826 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.179 -5.289 -0.363 1.00 0.47 C ATOM 1199 C LYS A 79 -6.347 -6.326 0.739 1.00 0.52 C ATOM 1200 O LYS A 79 -7.016 -6.078 1.743 1.00 0.55 O ATOM 1201 CB LYS A 79 -7.132 -5.599 -1.517 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.574 -5.225 -1.225 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.541 -5.955 -2.142 1.00 0.87 C ATOM 1204 CE LYS A 79 -9.832 -7.361 -1.641 1.00 1.11 C ATOM 1205 NZ LYS A 79 -10.575 -7.348 -0.352 1.00 1.27 N ATOM 0 H LYS A 79 -4.679 -5.521 -1.806 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.422 -4.303 0.034 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.799 -5.065 -2.407 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -7.080 -6.663 -1.746 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.808 -5.461 -0.187 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.702 -4.149 -1.344 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -10.472 -5.393 -2.212 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -9.123 -6.005 -3.147 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -10.413 -7.900 -2.389 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -8.895 -7.903 -1.514 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -10.039 -7.880 0.363 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -10.699 -6.366 -0.032 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -11.508 -7.789 -0.484 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.716 -7.481 0.551 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.793 -8.555 1.530 1.00 0.64 C ATOM 1221 C HIS A 80 -5.097 -8.150 2.824 1.00 0.60 C ATOM 1222 O HIS A 80 -5.506 -8.555 3.907 1.00 0.60 O ATOM 1223 CB HIS A 80 -5.175 -9.845 0.981 1.00 0.77 C ATOM 1224 CG HIS A 80 -5.298 -11.011 1.917 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -6.433 -11.785 2.017 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -4.420 -11.519 2.812 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -6.247 -12.716 2.935 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -5.033 -12.575 3.432 1.00 1.13 N ATOM 0 H HIS A 80 -5.148 -7.695 -0.269 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.846 -8.742 1.740 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -5.656 -10.096 0.035 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -4.121 -9.671 0.766 1.00 0.77 H new ATOM 0 HD2 HIS A 80 -3.420 -11.158 3.002 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -6.967 -13.466 3.229 1.00 1.21 H new ATOM 0 HE2 HIS A 80 -4.619 -13.158 4.159 1.00 1.13 H new ATOM 1237 N MET A 81 -4.047 -7.352 2.708 1.00 0.58 N ATOM 1238 CA MET A 81 -3.311 -6.894 3.880 1.00 0.59 C ATOM 1239 C MET A 81 -4.162 -5.927 4.694 1.00 0.54 C ATOM 1240 O MET A 81 -4.142 -5.950 5.926 1.00 0.58 O ATOM 1241 CB MET A 81 -2.001 -6.220 3.470 1.00 0.64 C ATOM 1242 CG MET A 81 -0.979 -7.182 2.882 1.00 1.25 C ATOM 1243 SD MET A 81 0.598 -6.391 2.500 1.00 1.51 S ATOM 1244 CE MET A 81 1.083 -5.788 4.115 1.00 1.09 C ATOM 0 H MET A 81 -3.685 -7.008 1.819 1.00 0.58 H new ATOM 0 HA MET A 81 -3.075 -7.763 4.494 1.00 0.59 H new ATOM 0 HB2 MET A 81 -2.216 -5.441 2.739 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.567 -5.729 4.341 1.00 0.64 H new ATOM 0 HG2 MET A 81 -0.809 -7.997 3.585 1.00 1.25 H new ATOM 0 HG3 MET A 81 -1.386 -7.625 1.973 1.00 1.25 H new ATOM 0 HE1 MET A 81 2.148 -5.967 4.266 1.00 1.09 H new ATOM 0 HE2 MET A 81 0.882 -4.719 4.179 1.00 1.09 H new ATOM 0 HE3 MET A 81 0.515 -6.311 4.884 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.917 -5.092 3.992 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.784 -4.110 4.630 1.00 0.51 C ATOM 1256 C LEU A 82 -6.921 -4.779 5.400 1.00 0.56 C ATOM 1257 O LEU A 82 -7.235 -4.383 6.520 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.363 -3.162 3.581 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.361 -2.200 2.941 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.955 -1.576 1.690 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.951 -1.122 3.935 1.00 0.49 C ATOM 0 H LEU A 82 -4.946 -5.076 2.973 1.00 0.50 H new ATOM 0 HA LEU A 82 -5.179 -3.547 5.341 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.823 -3.757 2.793 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -7.158 -2.577 4.044 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.471 -2.761 2.657 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -5.231 -0.894 1.245 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -6.202 -2.360 0.974 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.859 -1.026 1.952 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -4.238 -0.445 3.464 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.832 -0.561 4.247 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.490 -1.587 4.806 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.528 -5.792 4.796 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.634 -6.501 5.431 1.00 0.70 C ATOM 1275 C GLU A 83 -8.131 -7.456 6.513 1.00 0.68 C ATOM 1276 O GLU A 83 -8.849 -7.761 7.465 1.00 0.72 O ATOM 1277 CB GLU A 83 -9.449 -7.266 4.381 1.00 0.85 C ATOM 1278 CG GLU A 83 -8.652 -8.315 3.629 1.00 1.15 C ATOM 1279 CD GLU A 83 -9.471 -9.027 2.576 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -10.336 -9.844 2.945 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -9.252 -8.771 1.375 1.00 1.45 O ATOM 0 H GLU A 83 -7.276 -6.141 3.871 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.278 -5.762 5.908 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -10.294 -7.749 4.872 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -9.860 -6.554 3.665 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -7.792 -7.841 3.156 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -8.263 -9.047 4.337 1.00 1.15 H new ATOM 1288 N LYS A 84 -6.891 -7.914 6.368 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.293 -8.839 7.326 1.00 0.69 C ATOM 1290 C LYS A 84 -6.031 -8.156 8.664 1.00 0.68 C ATOM 1291 O LYS A 84 -6.131 -8.780 9.722 1.00 0.67 O ATOM 1292 CB LYS A 84 -4.983 -9.416 6.764 1.00 0.76 C ATOM 1293 CG LYS A 84 -4.158 -10.196 7.780 1.00 0.99 C ATOM 1294 CD LYS A 84 -3.010 -9.362 8.325 1.00 1.43 C ATOM 1295 CE LYS A 84 -2.546 -9.870 9.680 1.00 1.94 C ATOM 1296 NZ LYS A 84 -3.491 -9.498 10.768 1.00 2.33 N ATOM 0 H LYS A 84 -6.279 -7.659 5.593 1.00 0.67 H new ATOM 0 HA LYS A 84 -7.000 -9.652 7.492 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -5.218 -10.070 5.924 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.378 -8.599 6.372 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -4.799 -10.516 8.602 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -3.764 -11.099 7.314 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -2.177 -9.384 7.622 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -3.324 -8.322 8.413 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -2.443 -10.955 9.645 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -1.560 -9.463 9.902 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -3.537 -10.268 11.466 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -3.160 -8.629 11.233 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -4.437 -9.337 10.366 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.686 -6.881 8.623 1.00 0.84 N ATOM 1311 CA GLU A 85 -5.401 -6.151 9.843 1.00 0.96 C ATOM 1312 C GLU A 85 -6.623 -5.374 10.312 1.00 0.93 C ATOM 1313 O GLU A 85 -7.127 -4.499 9.609 1.00 0.86 O ATOM 1314 CB GLU A 85 -4.208 -5.214 9.650 1.00 1.07 C ATOM 1315 CG GLU A 85 -3.512 -4.861 10.952 1.00 1.07 C ATOM 1316 CD GLU A 85 -3.426 -6.045 11.896 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -2.691 -7.005 11.587 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -4.073 -6.009 12.964 1.00 1.60 O ATOM 0 H GLU A 85 -5.597 -6.335 7.766 1.00 0.84 H new ATOM 0 HA GLU A 85 -5.144 -6.876 10.615 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.490 -5.683 8.977 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.547 -4.298 9.166 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -2.508 -4.496 10.738 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -4.049 -4.048 11.440 1.00 1.07 H new ATOM 1325 N ASP A 86 -7.085 -5.703 11.511 1.00 1.07 N ATOM 1326 CA ASP A 86 -8.250 -5.056 12.111 1.00 1.10 C ATOM 1327 C ASP A 86 -8.059 -3.546 12.204 1.00 1.02 C ATOM 1328 O ASP A 86 -8.994 -2.776 11.990 1.00 0.99 O ATOM 1329 CB ASP A 86 -8.505 -5.633 13.504 1.00 1.36 C ATOM 1330 CG ASP A 86 -9.583 -4.882 14.260 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -10.782 -5.094 13.971 1.00 2.66 O ATOM 1332 OD2 ASP A 86 -9.241 -4.072 15.143 1.00 2.27 O ATOM 0 H ASP A 86 -6.665 -6.425 12.097 1.00 1.07 H new ATOM 0 HA ASP A 86 -9.111 -5.250 11.471 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -8.794 -6.680 13.412 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -7.579 -5.607 14.079 1.00 1.36 H new ATOM 1337 N SER A 87 -6.840 -3.130 12.510 1.00 1.05 N ATOM 1338 CA SER A 87 -6.521 -1.716 12.641 1.00 1.08 C ATOM 1339 C SER A 87 -6.556 -0.999 11.289 1.00 0.93 C ATOM 1340 O SER A 87 -6.805 0.204 11.225 1.00 0.97 O ATOM 1341 CB SER A 87 -5.148 -1.569 13.293 1.00 1.27 C ATOM 1342 OG SER A 87 -5.030 -2.446 14.405 1.00 1.46 O ATOM 0 H SER A 87 -6.051 -3.755 12.673 1.00 1.05 H new ATOM 0 HA SER A 87 -7.278 -1.247 13.270 1.00 1.08 H new ATOM 0 HB2 SER A 87 -4.367 -1.788 12.565 1.00 1.27 H new ATOM 0 HB3 SER A 87 -5.001 -0.539 13.617 1.00 1.27 H new ATOM 0 HG SER A 87 -4.144 -2.342 14.811 1.00 1.46 H new ATOM 1348 N TYR A 88 -6.337 -1.740 10.209 1.00 0.91 N ATOM 1349 CA TYR A 88 -6.341 -1.152 8.875 1.00 0.88 C ATOM 1350 C TYR A 88 -7.761 -1.078 8.329 1.00 0.89 C ATOM 1351 O TYR A 88 -8.047 -0.312 7.407 1.00 0.80 O ATOM 1352 CB TYR A 88 -5.442 -1.955 7.930 1.00 0.93 C ATOM 1353 CG TYR A 88 -3.967 -1.902 8.285 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -3.511 -1.152 9.365 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -3.030 -2.606 7.540 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -2.170 -1.105 9.692 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -1.685 -2.565 7.863 1.00 0.97 C ATOM 1358 CZ TYR A 88 -1.260 -1.813 8.941 1.00 0.93 C ATOM 1359 OH TYR A 88 0.077 -1.772 9.276 1.00 1.00 O ATOM 0 H TYR A 88 -6.155 -2.743 10.230 1.00 0.91 H new ATOM 0 HA TYR A 88 -5.946 -0.138 8.945 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -5.768 -2.995 7.932 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -5.574 -1.581 6.915 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -4.220 -0.595 9.960 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -3.356 -3.195 6.695 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.837 -0.515 10.533 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -0.970 -3.119 7.274 1.00 0.97 H new ATOM 0 HH TYR A 88 0.588 -2.325 8.649 1.00 1.00 H new ATOM 1369 N GLN A 89 -8.658 -1.856 8.928 1.00 1.08 N ATOM 1370 CA GLN A 89 -10.058 -1.882 8.516 1.00 1.18 C ATOM 1371 C GLN A 89 -10.752 -0.555 8.821 1.00 1.16 C ATOM 1372 O GLN A 89 -11.876 -0.316 8.381 1.00 1.26 O ATOM 1373 CB GLN A 89 -10.794 -3.028 9.212 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.489 -4.394 8.621 1.00 1.61 C ATOM 1375 CD GLN A 89 -11.147 -5.520 9.392 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -12.188 -5.336 10.022 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -10.555 -6.702 9.340 1.00 2.33 N ATOM 0 H GLN A 89 -8.439 -2.480 9.704 1.00 1.08 H new ATOM 0 HA GLN A 89 -10.085 -2.040 7.438 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -10.528 -3.031 10.269 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -11.867 -2.848 9.154 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -10.827 -4.422 7.585 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -9.410 -4.548 8.609 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -9.693 -6.818 8.808 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -10.961 -7.498 9.832 1.00 2.33 H new ATOM 1386 N ASP A 90 -10.075 0.306 9.575 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.621 1.609 9.931 1.00 1.17 C ATOM 1388 C ASP A 90 -10.639 2.530 8.717 1.00 1.09 C ATOM 1389 O ASP A 90 -11.603 3.260 8.487 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.795 2.247 11.050 1.00 1.18 C ATOM 1391 CG ASP A 90 -10.407 3.535 11.571 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -11.458 3.467 12.242 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -9.829 4.616 11.336 1.00 2.03 O ATOM 0 H ASP A 90 -9.145 0.123 9.952 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.643 1.465 10.282 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -9.696 1.538 11.872 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -8.789 2.451 10.682 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.570 2.481 7.934 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.454 3.315 6.746 1.00 0.79 C ATOM 1400 C VAL A 91 -9.832 2.533 5.492 1.00 0.73 C ATOM 1401 O VAL A 91 -10.258 3.108 4.491 1.00 0.76 O ATOM 1402 CB VAL A 91 -8.027 3.882 6.589 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -7.805 5.036 7.550 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.985 2.796 6.812 1.00 0.78 C ATOM 0 H VAL A 91 -8.769 1.871 8.101 1.00 0.83 H new ATOM 0 HA VAL A 91 -10.146 4.148 6.871 1.00 0.79 H new ATOM 0 HB VAL A 91 -7.919 4.253 5.570 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -6.794 5.424 7.426 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.525 5.827 7.341 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -7.936 4.687 8.574 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -5.987 3.220 6.696 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -7.092 2.390 7.818 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -7.128 1.999 6.082 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.675 1.217 5.551 1.00 0.72 N ATOM 1415 CA TYR A 92 -10.013 0.358 4.426 1.00 0.71 C ATOM 1416 C TYR A 92 -11.522 0.187 4.325 1.00 0.80 C ATOM 1417 O TYR A 92 -12.191 -0.107 5.315 1.00 0.98 O ATOM 1418 CB TYR A 92 -9.329 -1.008 4.574 1.00 0.76 C ATOM 1419 CG TYR A 92 -9.836 -2.071 3.617 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.592 -1.986 2.252 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -10.557 -3.163 4.087 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -10.052 -2.959 1.382 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -11.019 -4.140 3.224 1.00 1.02 C ATOM 1424 CZ TYR A 92 -10.765 -4.035 1.875 1.00 1.02 C ATOM 1425 OH TYR A 92 -11.230 -5.006 1.016 1.00 1.14 O ATOM 0 H TYR A 92 -9.315 0.722 6.367 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.655 0.828 3.510 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -8.257 -0.882 4.423 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -9.467 -1.361 5.596 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -9.034 -1.147 1.863 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -10.760 -3.250 5.144 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.855 -2.878 0.323 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -11.577 -4.982 3.607 1.00 1.02 H new ATOM 0 HH TYR A 92 -11.710 -5.692 1.526 1.00 1.14 H new ATOM 1435 N LEU A 93 -12.052 0.395 3.133 1.00 0.74 N ATOM 1436 CA LEU A 93 -13.481 0.254 2.903 1.00 0.84 C ATOM 1437 C LEU A 93 -13.742 -0.759 1.796 1.00 1.05 C ATOM 1438 O LEU A 93 -14.713 -1.514 1.848 1.00 1.14 O ATOM 1439 CB LEU A 93 -14.118 1.606 2.553 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.683 2.223 1.218 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -14.739 3.183 0.703 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -12.350 2.934 1.370 1.00 1.42 C ATOM 0 H LEU A 93 -11.515 0.662 2.308 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.939 -0.107 3.824 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -15.201 1.483 2.539 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -13.887 2.312 3.350 1.00 0.87 H new ATOM 0 HG LEU A 93 -13.566 1.419 0.492 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -14.411 3.610 -0.245 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -15.677 2.647 0.555 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -14.889 3.982 1.429 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -12.057 3.366 0.413 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -12.443 3.727 2.112 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -11.592 2.221 1.694 1.00 1.42 H new ATOM 1454 N GLY A 94 -12.863 -0.772 0.800 1.00 1.78 N ATOM 1455 CA GLY A 94 -13.002 -1.695 -0.309 1.00 2.31 C ATOM 1456 C GLY A 94 -14.249 -1.433 -1.127 1.00 3.01 C ATOM 1457 O GLY A 94 -14.444 -0.330 -1.642 1.00 3.64 O ATOM 0 H GLY A 94 -12.052 -0.156 0.742 1.00 1.78 H new ATOM 0 HA2 GLY A 94 -12.126 -1.619 -0.953 1.00 2.31 H new ATOM 0 HA3 GLY A 94 -13.029 -2.716 0.073 1.00 2.31 H new ATOM 1461 N LEU A 95 -15.097 -2.443 -1.235 1.00 3.25 N ATOM 1462 CA LEU A 95 -16.331 -2.324 -1.989 1.00 3.98 C ATOM 1463 C LEU A 95 -17.520 -2.197 -1.048 1.00 3.60 C ATOM 1464 O LEU A 95 -17.665 -2.974 -0.099 1.00 3.99 O ATOM 1465 CB LEU A 95 -16.519 -3.524 -2.919 1.00 4.97 C ATOM 1466 CG LEU A 95 -15.794 -3.420 -4.266 1.00 5.52 C ATOM 1467 CD1 LEU A 95 -14.310 -3.715 -4.115 1.00 5.76 C ATOM 1468 CD2 LEU A 95 -16.421 -4.359 -5.282 1.00 6.50 C ATOM 0 H LEU A 95 -14.951 -3.357 -0.807 1.00 3.25 H new ATOM 0 HA LEU A 95 -16.269 -1.423 -2.599 1.00 3.98 H new ATOM 0 HB2 LEU A 95 -16.172 -4.421 -2.405 1.00 4.97 H new ATOM 0 HB3 LEU A 95 -17.585 -3.656 -3.106 1.00 4.97 H new ATOM 0 HG LEU A 95 -15.899 -2.396 -4.625 1.00 5.52 H new ATOM 0 HD11 LEU A 95 -13.822 -3.634 -5.086 1.00 5.76 H new ATOM 0 HD12 LEU A 95 -13.865 -2.999 -3.424 1.00 5.76 H new ATOM 0 HD13 LEU A 95 -14.177 -4.724 -3.726 1.00 5.76 H new ATOM 0 HD21 LEU A 95 -15.894 -4.272 -6.232 1.00 6.50 H new ATOM 0 HD22 LEU A 95 -16.351 -5.385 -4.921 1.00 6.50 H new ATOM 0 HD23 LEU A 95 -17.469 -4.095 -5.423 1.00 6.50 H new ATOM 1480 N GLU A 96 -18.363 -1.210 -1.316 1.00 3.30 N ATOM 1481 CA GLU A 96 -19.547 -0.958 -0.505 1.00 3.30 C ATOM 1482 C GLU A 96 -20.562 -2.080 -0.672 1.00 3.83 C ATOM 1483 O GLU A 96 -21.181 -2.526 0.292 1.00 4.33 O ATOM 1484 CB GLU A 96 -20.180 0.372 -0.911 1.00 3.38 C ATOM 1485 CG GLU A 96 -19.188 1.519 -0.999 1.00 3.76 C ATOM 1486 CD GLU A 96 -19.837 2.796 -1.480 1.00 4.68 C ATOM 1487 OE1 GLU A 96 -20.658 3.368 -0.730 1.00 5.15 O ATOM 1488 OE2 GLU A 96 -19.543 3.229 -2.611 1.00 5.06 O ATOM 0 H GLU A 96 -18.247 -0.564 -2.097 1.00 3.30 H new ATOM 0 HA GLU A 96 -19.245 -0.914 0.542 1.00 3.30 H new ATOM 0 HB2 GLU A 96 -20.669 0.251 -1.878 1.00 3.38 H new ATOM 0 HB3 GLU A 96 -20.957 0.629 -0.191 1.00 3.38 H new ATOM 0 HG2 GLU A 96 -18.741 1.687 -0.019 1.00 3.76 H new ATOM 0 HG3 GLU A 96 -18.379 1.247 -1.676 1.00 3.76 H new ATOM 1495 N HIS A 97 -20.722 -2.523 -1.907 1.00 4.10 N ATOM 1496 CA HIS A 97 -21.651 -3.591 -2.235 1.00 4.81 C ATOM 1497 C HIS A 97 -20.962 -4.594 -3.151 1.00 4.91 C ATOM 1498 O HIS A 97 -20.084 -4.218 -3.929 1.00 5.78 O ATOM 1499 CB HIS A 97 -22.903 -3.003 -2.911 1.00 5.50 C ATOM 1500 CG HIS A 97 -23.860 -4.029 -3.444 1.00 5.36 C ATOM 1501 ND1 HIS A 97 -23.916 -4.387 -4.777 1.00 5.86 N ATOM 1502 CD2 HIS A 97 -24.796 -4.780 -2.817 1.00 5.14 C ATOM 1503 CE1 HIS A 97 -24.844 -5.312 -4.941 1.00 5.88 C ATOM 1504 NE2 HIS A 97 -25.389 -5.567 -3.771 1.00 5.53 N ATOM 0 H HIS A 97 -20.213 -2.153 -2.710 1.00 4.10 H new ATOM 0 HA HIS A 97 -21.962 -4.103 -1.325 1.00 4.81 H new ATOM 0 HB2 HIS A 97 -23.427 -2.374 -2.192 1.00 5.50 H new ATOM 0 HB3 HIS A 97 -22.589 -2.357 -3.731 1.00 5.50 H new ATOM 0 HD2 HIS A 97 -25.032 -4.763 -1.763 1.00 5.14 H new ATOM 0 HE1 HIS A 97 -25.111 -5.780 -5.877 1.00 5.88 H new ATOM 0 HE2 HIS A 97 -26.134 -6.243 -3.601 1.00 5.53 H new ATOM 1513 N HIS A 98 -21.341 -5.865 -3.040 1.00 4.24 N ATOM 1514 CA HIS A 98 -20.760 -6.912 -3.873 1.00 4.57 C ATOM 1515 C HIS A 98 -20.987 -6.597 -5.348 1.00 5.57 C ATOM 1516 O HIS A 98 -22.118 -6.642 -5.836 1.00 6.29 O ATOM 1517 CB HIS A 98 -21.373 -8.272 -3.523 1.00 4.01 C ATOM 1518 CG HIS A 98 -20.736 -9.428 -4.231 1.00 4.25 C ATOM 1519 ND1 HIS A 98 -21.266 -10.002 -5.367 1.00 4.75 N ATOM 1520 CD2 HIS A 98 -19.607 -10.123 -3.954 1.00 4.43 C ATOM 1521 CE1 HIS A 98 -20.492 -10.996 -5.756 1.00 5.20 C ATOM 1522 NE2 HIS A 98 -19.480 -11.090 -4.917 1.00 5.02 N ATOM 0 H HIS A 98 -22.047 -6.193 -2.382 1.00 4.24 H new ATOM 0 HA HIS A 98 -19.687 -6.954 -3.683 1.00 4.57 H new ATOM 0 HB2 HIS A 98 -21.293 -8.429 -2.447 1.00 4.01 H new ATOM 0 HB3 HIS A 98 -22.436 -8.253 -3.764 1.00 4.01 H new ATOM 0 HD2 HIS A 98 -18.933 -9.948 -3.129 1.00 4.43 H new ATOM 0 HE1 HIS A 98 -20.659 -11.627 -6.617 1.00 5.20 H new ATOM 0 HE2 HIS A 98 -18.724 -11.772 -4.975 1.00 5.02 H new ATOM 1531 N HIS A 99 -19.915 -6.279 -6.050 1.00 5.88 N ATOM 1532 CA HIS A 99 -20.003 -5.939 -7.459 1.00 7.00 C ATOM 1533 C HIS A 99 -19.398 -7.038 -8.322 1.00 7.19 C ATOM 1534 O HIS A 99 -18.414 -7.673 -7.938 1.00 6.84 O ATOM 1535 CB HIS A 99 -19.292 -4.609 -7.729 1.00 7.91 C ATOM 1536 CG HIS A 99 -19.723 -3.937 -8.999 1.00 8.85 C ATOM 1537 ND1 HIS A 99 -20.889 -3.209 -9.108 1.00 9.53 N ATOM 1538 CD2 HIS A 99 -19.137 -3.883 -10.219 1.00 9.38 C ATOM 1539 CE1 HIS A 99 -21.002 -2.740 -10.337 1.00 10.40 C ATOM 1540 NE2 HIS A 99 -19.951 -3.134 -11.031 1.00 10.32 N ATOM 0 H HIS A 99 -18.970 -6.249 -5.667 1.00 5.88 H new ATOM 0 HA HIS A 99 -21.057 -5.839 -7.719 1.00 7.00 H new ATOM 0 HB2 HIS A 99 -19.474 -3.934 -6.892 1.00 7.91 H new ATOM 0 HB3 HIS A 99 -18.217 -4.784 -7.769 1.00 7.91 H new ATOM 0 HD2 HIS A 99 -18.202 -4.344 -10.501 1.00 9.38 H new ATOM 0 HE1 HIS A 99 -21.816 -2.137 -10.711 1.00 10.40 H new ATOM 0 HE2 HIS A 99 -19.773 -2.917 -12.012 1.00 10.32 H new ATOM 1549 N HIS A 100 -20.006 -7.272 -9.475 1.00 7.91 N ATOM 1550 CA HIS A 100 -19.519 -8.274 -10.407 1.00 8.32 C ATOM 1551 C HIS A 100 -18.371 -7.682 -11.222 1.00 8.49 C ATOM 1552 O HIS A 100 -18.456 -6.541 -11.676 1.00 8.85 O ATOM 1553 CB HIS A 100 -20.657 -8.731 -11.325 1.00 8.84 C ATOM 1554 CG HIS A 100 -20.373 -9.993 -12.080 1.00 9.39 C ATOM 1555 ND1 HIS A 100 -19.673 -10.200 -13.218 1.00 9.84 N flip ATOM 1556 CD2 HIS A 100 -20.840 -11.229 -11.690 1.00 9.72 C flip ATOM 1557 CE1 HIS A 100 -19.730 -11.541 -13.489 1.00 10.37 C flip ATOM 1558 NE2 HIS A 100 -20.439 -12.141 -12.554 1.00 10.32 N flip ATOM 0 H HIS A 100 -20.842 -6.778 -9.788 1.00 7.91 H new ATOM 0 HA HIS A 100 -19.155 -9.143 -9.859 1.00 8.32 H new ATOM 0 HB2 HIS A 100 -21.556 -8.875 -10.725 1.00 8.84 H new ATOM 0 HB3 HIS A 100 -20.874 -7.936 -12.038 1.00 8.84 H new ATOM 0 HD1 HIS A 100 -19.193 -9.490 -13.771 1.00 9.84 H new ATOM 0 HD2 HIS A 100 -21.441 -11.421 -10.813 1.00 9.72 H new ATOM 0 HE1 HIS A 100 -19.268 -12.029 -14.334 1.00 10.37 H new ATOM 1567 N HIS A 101 -17.300 -8.451 -11.400 1.00 8.41 N ATOM 1568 CA HIS A 101 -16.137 -7.976 -12.150 1.00 8.73 C ATOM 1569 C HIS A 101 -16.485 -7.732 -13.616 1.00 9.24 C ATOM 1570 O HIS A 101 -17.494 -8.226 -14.118 1.00 9.03 O ATOM 1571 CB HIS A 101 -14.958 -8.959 -12.028 1.00 8.88 C ATOM 1572 CG HIS A 101 -15.155 -10.276 -12.727 1.00 9.00 C ATOM 1573 ND1 HIS A 101 -15.557 -11.417 -12.073 1.00 8.78 N ATOM 1574 CD2 HIS A 101 -14.970 -10.632 -14.019 1.00 9.44 C ATOM 1575 CE1 HIS A 101 -15.609 -12.420 -12.929 1.00 9.10 C ATOM 1576 NE2 HIS A 101 -15.260 -11.971 -14.119 1.00 9.49 N ATOM 0 H HIS A 101 -17.212 -9.401 -11.038 1.00 8.41 H new ATOM 0 HA HIS A 101 -15.832 -7.025 -11.713 1.00 8.73 H new ATOM 0 HB2 HIS A 101 -14.064 -8.482 -12.429 1.00 8.88 H new ATOM 0 HB3 HIS A 101 -14.771 -9.150 -10.971 1.00 8.88 H new ATOM 0 HD2 HIS A 101 -14.653 -9.984 -14.823 1.00 9.44 H new ATOM 0 HE1 HIS A 101 -15.890 -13.436 -12.695 1.00 9.10 H new ATOM 0 HE2 HIS A 101 -15.213 -12.527 -14.973 1.00 9.49 H new ATOM 1585 N HIS A 102 -15.644 -6.966 -14.296 1.00 10.03 N ATOM 1586 CA HIS A 102 -15.862 -6.648 -15.700 1.00 10.75 C ATOM 1587 C HIS A 102 -15.375 -7.789 -16.583 1.00 11.48 C ATOM 1588 O HIS A 102 -16.207 -8.629 -16.993 1.00 11.72 O ATOM 1589 CB HIS A 102 -15.141 -5.349 -16.076 1.00 11.25 C ATOM 1590 CG HIS A 102 -15.736 -4.120 -15.457 1.00 11.59 C ATOM 1591 ND1 HIS A 102 -16.456 -3.191 -16.174 1.00 12.36 N ATOM 1592 CD2 HIS A 102 -15.712 -3.668 -14.181 1.00 11.44 C ATOM 1593 CE1 HIS A 102 -16.850 -2.224 -15.368 1.00 12.66 C ATOM 1594 NE2 HIS A 102 -16.412 -2.487 -14.150 1.00 12.14 N ATOM 1595 OXT HIS A 102 -14.163 -7.846 -16.860 1.00 11.93 O ATOM 0 H HIS A 102 -14.802 -6.552 -13.897 1.00 10.03 H new ATOM 0 HA HIS A 102 -16.932 -6.511 -15.858 1.00 10.75 H new ATOM 0 HB2 HIS A 102 -14.096 -5.425 -15.775 1.00 11.25 H new ATOM 0 HB3 HIS A 102 -15.153 -5.239 -17.160 1.00 11.25 H new ATOM 0 HD2 HIS A 102 -15.231 -4.148 -13.342 1.00 11.44 H new ATOM 0 HE1 HIS A 102 -17.433 -1.362 -15.656 1.00 12.66 H new ATOM 0 HE2 HIS A 102 -16.568 -1.909 -13.324 1.00 12.14 H new TER 1604 HIS A 102 HETATM 1605 N1A ACO A 103 -2.678 -12.993 -1.446 1.00 1.26 N HETATM 1606 C2A ACO A 103 -2.817 -11.808 -0.731 1.00 1.17 C HETATM 1607 N3A ACO A 103 -2.094 -11.648 0.450 1.00 1.07 N HETATM 1608 C4A ACO A 103 -1.279 -12.635 0.865 1.00 1.07 C HETATM 1609 C5A ACO A 103 -1.166 -13.769 0.160 1.00 1.24 C HETATM 1610 C6A ACO A 103 -1.851 -13.935 -0.977 1.00 1.33 C HETATM 1611 N6A ACO A 103 -1.673 -15.088 -1.620 1.00 1.58 N HETATM 1612 N7A ACO A 103 -0.306 -14.560 0.795 1.00 1.38 N HETATM 1613 C8A ACO A 103 0.109 -13.929 1.889 1.00 1.26 C HETATM 1614 N9A ACO A 103 -0.491 -12.742 1.930 1.00 1.07 N HETATM 1615 C1B ACO A 103 -0.306 -11.707 2.978 1.00 1.03 C HETATM 1616 C2B ACO A 103 0.055 -12.292 4.318 1.00 1.11 C HETATM 1617 O2B ACO A 103 -1.130 -12.676 5.034 1.00 1.48 O HETATM 1618 C3B ACO A 103 0.743 -11.147 5.015 1.00 1.01 C HETATM 1619 O3B ACO A 103 -0.194 -10.472 5.877 1.00 1.23 O HETATM 1620 P3B ACO A 103 0.143 -9.028 6.506 1.00 1.16 P HETATM 1621 O7A ACO A 103 1.550 -8.576 5.868 1.00 1.71 O HETATM 1622 O8A ACO A 103 0.387 -9.242 8.077 1.00 1.81 O HETATM 1623 O9A ACO A 103 -0.923 -8.040 6.239 1.00 2.04 O HETATM 1624 C4B ACO A 103 1.195 -10.222 3.886 1.00 1.04 C HETATM 1625 O4B ACO A 103 0.803 -10.859 2.648 1.00 1.04 O HETATM 1626 C5B ACO A 103 2.705 -10.037 3.921 1.00 1.18 C HETATM 1627 O5B ACO A 103 3.040 -8.764 3.366 1.00 1.28 O HETATM 1628 P1A ACO A 103 4.578 -8.340 3.189 1.00 1.52 P HETATM 1629 O1A ACO A 103 4.655 -6.918 2.789 1.00 2.30 O HETATM 1630 O2A ACO A 103 5.348 -8.741 4.392 1.00 2.20 O HETATM 1631 O3A ACO A 103 5.076 -9.261 1.968 1.00 1.44 O HETATM 1632 P2A ACO A 103 6.311 -8.789 1.046 1.00 1.59 P HETATM 1633 O4A ACO A 103 7.303 -9.888 0.926 1.00 2.35 O HETATM 1634 O5A ACO A 103 6.810 -7.475 1.510 1.00 2.24 O HETATM 1635 O6A ACO A 103 5.640 -8.603 -0.406 1.00 1.29 O HETATM 1636 CBP ACO A 103 5.077 -9.278 -2.688 1.00 0.94 C HETATM 1637 CCP ACO A 103 5.477 -9.733 -1.271 1.00 1.05 C HETATM 1638 CDP ACO A 103 3.826 -10.044 -3.132 1.00 1.01 C HETATM 1639 CEP ACO A 103 4.773 -7.776 -2.690 1.00 0.88 C HETATM 1640 CAP ACO A 103 6.231 -9.565 -3.661 1.00 0.97 C HETATM 1641 OAP ACO A 103 6.272 -10.964 -3.962 1.00 1.11 O HETATM 1642 C9P ACO A 103 6.037 -8.767 -4.958 1.00 0.94 C HETATM 1643 O9P ACO A 103 6.754 -7.799 -5.221 1.00 0.99 O HETATM 1644 N8P ACO A 103 5.051 -9.202 -5.755 1.00 1.53 N HETATM 1645 C7P ACO A 103 4.279 -8.291 -6.614 1.00 1.93 C HETATM 1646 C6P ACO A 103 2.844 -8.179 -6.094 1.00 2.42 C HETATM 1647 C5P ACO A 103 2.043 -7.208 -6.961 1.00 2.41 C HETATM 1648 O5P ACO A 103 0.817 -7.306 -7.054 1.00 3.30 O HETATM 1649 N4P ACO A 103 2.770 -6.270 -7.586 1.00 1.79 N HETATM 1650 C3P ACO A 103 3.174 -6.406 -8.994 1.00 2.18 C HETATM 1651 C2P ACO A 103 1.939 -6.360 -9.896 1.00 2.07 C HETATM 1652 S1P ACO A 103 1.142 -4.714 -9.871 1.00 2.13 S HETATM 1653 C ACO A 103 0.013 -4.935 -8.513 1.00 1.95 C HETATM 1654 O ACO A 103 0.467 -4.742 -7.170 1.00 1.49 O HETATM 1655 CH3 ACO A 103 -1.439 -5.336 -8.781 1.00 3.07 C HETATM 0 HO2A ACO A 103 -1.391 -11.956 5.645 1.00 1.48 H new HETATM 0 HH33 ACO A 103 -1.918 -4.577 -9.400 1.00 3.07 H new HETATM 0 HH32 ACO A 103 -1.462 -6.294 -9.300 1.00 3.07 H new HETATM 0 HH31 ACO A 103 -1.973 -5.423 -7.835 1.00 3.07 H new HETATM 0 H62A ACO A 103 -1.037 -15.790 -1.242 1.00 1.58 H new HETATM 0 H61A ACO A 103 -2.173 -15.269 -2.491 1.00 1.58 H new HETATM 0 H52A ACO A 103 3.067 -10.106 4.947 1.00 1.18 H new HETATM 0 H51A ACO A 103 3.193 -10.832 3.357 1.00 1.18 H new HETATM 0 H143 ACO A 103 3.953 -7.570 -2.003 1.00 0.88 H new HETATM 0 H142 ACO A 103 5.659 -7.225 -2.373 1.00 0.88 H new HETATM 0 H141 ACO A 103 4.491 -7.463 -3.695 1.00 0.88 H new HETATM 0 H133 ACO A 103 4.037 -11.113 -3.139 1.00 1.01 H new HETATM 0 H132 ACO A 103 3.009 -9.840 -2.439 1.00 1.01 H new HETATM 0 H131 ACO A 103 3.540 -9.724 -4.134 1.00 1.01 H new HETATM 0 H122 ACO A 103 6.406 -10.302 -1.314 1.00 1.05 H new HETATM 0 H121 ACO A 103 4.714 -10.399 -0.868 1.00 1.05 H new HETATM 0 HO1 ACO A 103 7.008 -11.143 -4.584 1.00 1.11 H new HETATM 0 HN8 ACO A 103 4.829 -10.197 -5.766 1.00 1.53 H new HETATM 0 HN4 ACO A 103 3.051 -5.437 -7.069 1.00 1.79 H new HETATM 0 H8A ACO A 103 0.816 -14.316 2.623 1.00 1.26 H new HETATM 0 H72 ACO A 103 4.748 -7.307 -6.630 1.00 1.93 H new HETATM 0 H71 ACO A 103 4.276 -8.659 -7.640 1.00 1.93 H new HETATM 0 H62 ACO A 103 2.369 -9.160 -6.101 1.00 2.42 H new HETATM 0 H61 ACO A 103 2.850 -7.835 -5.060 1.00 2.42 H new HETATM 0 H4B ACO A 103 0.741 -9.236 3.986 1.00 1.04 H new HETATM 0 H3B ACO A 103 1.578 -11.470 5.636 1.00 1.01 H new HETATM 0 H32 ACO A 103 3.862 -5.605 -9.263 1.00 2.18 H new HETATM 0 H31 ACO A 103 3.707 -7.346 -9.140 1.00 2.18 H new HETATM 0 H2B ACO A 103 0.673 -13.187 4.246 1.00 1.11 H new HETATM 0 H2A ACO A 103 -3.479 -11.019 -1.088 1.00 1.17 H new HETATM 0 H22 ACO A 103 2.225 -6.610 -10.918 1.00 2.07 H new HETATM 0 H21 ACO A 103 1.223 -7.116 -9.572 1.00 2.07 H new HETATM 0 H1B ACO A 103 -1.257 -11.177 3.028 1.00 1.03 H new HETATM 0 H10 ACO A 103 7.170 -9.266 -3.195 1.00 0.97 H new