USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 HIS : no HD1:sc= -1.37 K(o=-3.5,f=-0.76) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -2.12 K(o=-3.5,f=-0.76) USER MOD Set 2.1: A 74 MET CE :methyl -127:sc= -0.182 (180deg=-1.5) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.272 K(o=-0.45,f=-1.2) USER MOD Set 3.1: A 20 LYS NZ :NH3+ -147:sc= 2.43 (180deg=1.47) USER MOD Set 3.2: A 30 ASN : amide:sc= 0.992 K(o=3.4,f=2.4) USER MOD Single : A 1 SER N :NH3+ -133:sc= 0.188 (180deg=0.000959) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.0408 X(o=-0.041,f=-0.041) USER MOD Single : A 5 MET CE :methyl 164:sc= 0 (180deg=-0.211) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.361 X(o=0.36,f=-0.019) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 0.346 (180deg=-0.0445!) USER MOD Single : A 23 MET CE :methyl -158:sc= -0.42 (180deg=-1.44) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.0538 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.513 K(o=-0.51,f=-3.7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 29:sc= 1.05 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.16) USER MOD Single : A 45 ASN : amide:sc= -0.593 K(o=-0.59,f=-2.9) USER MOD Single : A 48 THR OG1 : rot -60:sc= 0.345 USER MOD Single : A 53 MET CE :methyl -130:sc= -0.131 (180deg=-1.66) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.638 USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.14) USER MOD Single : A 60 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.6!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.117 K(o=-0.12,f=-0.98) USER MOD Single : A 72 ASN : amide:sc=-0.00329 X(o=-0.0033,f=0.11) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -3.31 K(o=-3.3,f=-8.8!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -123:sc= -0.0283 (180deg=-0.719) USER MOD Single : A 89 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.2) USER MOD Single : A 99 LYS NZ :NH3+ -172:sc= 1.07 (180deg=0.88) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 95:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -1.15 K(o=-1.2,f=-4!) USER MOD Single : A 107 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.953) USER MOD Single : A 111 THR OG1 : rot -8:sc= 0.563 USER MOD Single : A 116 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 119 LYS NZ :NH3+ 146:sc= 0.843 (180deg=0.249) USER MOD Single : A 123 HIS : no HE2:sc= -0.579 K(o=-0.58,f=-1.3) USER MOD Single : A 124 LYS NZ :NH3+ 162:sc= -0.0136 (180deg=-0.194) USER MOD Single : A 126 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.483 -7.347 2.517 1.00 0.00 N ATOM 2 CA SER A 1 14.052 -8.752 2.540 1.00 0.00 C ATOM 3 C SER A 1 12.534 -8.901 2.701 1.00 0.00 C ATOM 4 O SER A 1 11.854 -7.984 3.167 1.00 0.00 O ATOM 5 CB SER A 1 14.760 -9.508 3.660 1.00 0.00 C ATOM 6 OG SER A 1 16.109 -9.815 3.362 1.00 0.00 O ATOM 0 H1 SER A 1 15.143 -7.199 1.727 1.00 0.00 H new ATOM 0 H2 SER A 1 13.654 -6.731 2.395 1.00 0.00 H new ATOM 0 H3 SER A 1 14.958 -7.115 3.413 1.00 0.00 H new ATOM 0 HA SER A 1 14.324 -9.178 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.723 -8.911 4.572 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.220 -10.433 3.862 1.00 0.00 H new ATOM 0 HG SER A 1 16.509 -10.297 4.116 1.00 0.00 H new ATOM 12 N GLN A 2 12.009 -10.076 2.330 1.00 0.00 N ATOM 13 CA GLN A 2 10.604 -10.488 2.366 1.00 0.00 C ATOM 14 C GLN A 2 9.993 -10.345 3.765 1.00 0.00 C ATOM 15 O GLN A 2 8.877 -9.841 3.895 1.00 0.00 O ATOM 16 CB GLN A 2 10.534 -11.943 1.861 1.00 0.00 C ATOM 17 CG GLN A 2 9.117 -12.521 1.731 1.00 0.00 C ATOM 18 CD GLN A 2 8.626 -13.278 2.971 1.00 0.00 C ATOM 19 OE1 GLN A 2 9.147 -14.326 3.340 1.00 0.00 O ATOM 20 NE2 GLN A 2 7.593 -12.778 3.627 1.00 0.00 N ATOM 0 H GLN A 2 12.605 -10.821 1.969 1.00 0.00 H new ATOM 0 HA GLN A 2 10.013 -9.835 1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.022 -11.997 0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.106 -12.575 2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.424 -11.707 1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.090 -13.195 0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.164 -11.907 3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.225 -13.264 4.445 1.00 0.00 H new ATOM 29 N GLU A 3 10.726 -10.775 4.793 1.00 0.00 N ATOM 30 CA GLU A 3 10.357 -10.734 6.208 1.00 0.00 C ATOM 31 C GLU A 3 9.934 -9.317 6.605 1.00 0.00 C ATOM 32 O GLU A 3 8.833 -9.093 7.117 1.00 0.00 O ATOM 33 CB GLU A 3 11.600 -11.185 6.985 1.00 0.00 C ATOM 34 CG GLU A 3 11.490 -11.202 8.511 1.00 0.00 C ATOM 35 CD GLU A 3 12.835 -11.528 9.179 1.00 0.00 C ATOM 36 OE1 GLU A 3 13.909 -11.088 8.700 1.00 0.00 O ATOM 37 OE2 GLU A 3 12.831 -12.310 10.155 1.00 0.00 O ATOM 0 H GLU A 3 11.649 -11.186 4.651 1.00 0.00 H new ATOM 0 HA GLU A 3 9.509 -11.384 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.863 -12.189 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.428 -10.531 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.137 -10.232 8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.746 -11.939 8.813 1.00 0.00 H new ATOM 44 N VAL A 4 10.801 -8.342 6.326 1.00 0.00 N ATOM 45 CA VAL A 4 10.528 -6.942 6.594 1.00 0.00 C ATOM 46 C VAL A 4 9.286 -6.515 5.827 1.00 0.00 C ATOM 47 O VAL A 4 8.397 -5.919 6.420 1.00 0.00 O ATOM 48 CB VAL A 4 11.740 -6.085 6.217 1.00 0.00 C ATOM 49 CG1 VAL A 4 11.399 -4.593 6.297 1.00 0.00 C ATOM 50 CG2 VAL A 4 12.963 -6.355 7.093 1.00 0.00 C ATOM 0 H VAL A 4 11.715 -8.510 5.906 1.00 0.00 H new ATOM 0 HA VAL A 4 10.343 -6.800 7.659 1.00 0.00 H new ATOM 0 HB VAL A 4 11.991 -6.364 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.275 -4.004 6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.583 -4.369 5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.095 -4.343 7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.787 -5.716 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.719 -6.141 8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.256 -7.400 6.996 1.00 0.00 H new ATOM 60 N MET A 5 9.188 -6.808 4.530 1.00 0.00 N ATOM 61 CA MET A 5 8.063 -6.442 3.714 1.00 0.00 C ATOM 62 C MET A 5 6.762 -6.935 4.356 1.00 0.00 C ATOM 63 O MET A 5 5.813 -6.156 4.435 1.00 0.00 O ATOM 64 CB MET A 5 8.319 -7.068 2.331 1.00 0.00 C ATOM 65 CG MET A 5 7.636 -6.284 1.238 1.00 0.00 C ATOM 66 SD MET A 5 8.589 -4.861 0.664 1.00 0.00 S ATOM 67 CE MET A 5 7.462 -3.540 1.129 1.00 0.00 C ATOM 0 H MET A 5 9.910 -7.317 4.021 1.00 0.00 H new ATOM 0 HA MET A 5 7.953 -5.362 3.617 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.391 -7.105 2.139 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.959 -8.097 2.323 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.443 -6.946 0.394 1.00 0.00 H new ATOM 0 HG3 MET A 5 6.667 -5.940 1.600 1.00 0.00 H new ATOM 0 HE1 MET A 5 7.992 -2.588 1.115 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.633 -3.504 0.423 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.077 -3.726 2.132 1.00 0.00 H new ATOM 77 N LYS A 6 6.724 -8.159 4.904 1.00 0.00 N ATOM 78 CA LYS A 6 5.542 -8.652 5.612 1.00 0.00 C ATOM 79 C LYS A 6 5.224 -7.738 6.787 1.00 0.00 C ATOM 80 O LYS A 6 4.092 -7.293 6.944 1.00 0.00 O ATOM 81 CB LYS A 6 5.743 -10.097 6.104 1.00 0.00 C ATOM 82 CG LYS A 6 4.391 -10.810 6.272 1.00 0.00 C ATOM 83 CD LYS A 6 3.943 -11.383 4.923 1.00 0.00 C ATOM 84 CE LYS A 6 2.474 -11.792 4.771 1.00 0.00 C ATOM 85 NZ LYS A 6 1.951 -12.575 5.900 1.00 0.00 N ATOM 0 H LYS A 6 7.499 -8.821 4.868 1.00 0.00 H new ATOM 0 HA LYS A 6 4.705 -8.651 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.362 -10.645 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.277 -10.091 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.479 -11.610 7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.644 -10.111 6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.165 -10.643 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.558 -12.258 4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.868 -10.894 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.362 -12.374 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.954 -12.814 5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.504 -13.450 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.025 -12.016 6.774 1.00 0.00 H new ATOM 99 N ASN A 7 6.235 -7.412 7.587 1.00 0.00 N ATOM 100 CA ASN A 7 6.149 -6.482 8.707 1.00 0.00 C ATOM 101 C ASN A 7 5.614 -5.121 8.259 1.00 0.00 C ATOM 102 O ASN A 7 4.860 -4.498 9.006 1.00 0.00 O ATOM 103 CB ASN A 7 7.554 -6.303 9.318 1.00 0.00 C ATOM 104 CG ASN A 7 7.559 -6.323 10.846 1.00 0.00 C ATOM 105 OD1 ASN A 7 7.012 -7.218 11.491 1.00 0.00 O ATOM 106 ND2 ASN A 7 8.215 -5.359 11.469 1.00 0.00 N ATOM 0 H ASN A 7 7.170 -7.802 7.468 1.00 0.00 H new ATOM 0 HA ASN A 7 5.460 -6.891 9.446 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.206 -7.095 8.950 1.00 0.00 H new ATOM 0 HB3 ASN A 7 7.974 -5.358 8.973 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.269 -5.355 12.488 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.667 -4.619 10.931 1.00 0.00 H new ATOM 113 N LEU A 8 5.987 -4.636 7.068 1.00 0.00 N ATOM 114 CA LEU A 8 5.494 -3.388 6.504 1.00 0.00 C ATOM 115 C LEU A 8 4.010 -3.507 6.178 1.00 0.00 C ATOM 116 O LEU A 8 3.244 -2.611 6.533 1.00 0.00 O ATOM 117 CB LEU A 8 6.232 -2.977 5.222 1.00 0.00 C ATOM 118 CG LEU A 8 7.495 -2.154 5.477 1.00 0.00 C ATOM 119 CD1 LEU A 8 8.718 -2.996 5.692 1.00 0.00 C ATOM 120 CD2 LEU A 8 7.734 -1.170 4.341 1.00 0.00 C ATOM 0 H LEU A 8 6.654 -5.115 6.463 1.00 0.00 H new ATOM 0 HA LEU A 8 5.671 -2.624 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.500 -3.874 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.554 -2.401 4.592 1.00 0.00 H new ATOM 0 HG LEU A 8 7.319 -1.609 6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.578 -2.350 5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.567 -3.642 6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.898 -3.608 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.637 -0.594 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.853 -1.716 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.883 -0.493 4.261 1.00 0.00 H new ATOM 132 N SER A 9 3.605 -4.584 5.497 1.00 0.00 N ATOM 133 CA SER A 9 2.208 -4.884 5.179 1.00 0.00 C ATOM 134 C SER A 9 1.378 -4.938 6.468 1.00 0.00 C ATOM 135 O SER A 9 0.289 -4.358 6.545 1.00 0.00 O ATOM 136 CB SER A 9 2.165 -6.212 4.402 1.00 0.00 C ATOM 137 OG SER A 9 0.857 -6.690 4.161 1.00 0.00 O ATOM 0 H SER A 9 4.255 -5.286 5.144 1.00 0.00 H new ATOM 0 HA SER A 9 1.773 -4.102 4.556 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.675 -6.081 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.720 -6.966 4.959 1.00 0.00 H new ATOM 0 HG SER A 9 0.903 -7.533 3.664 1.00 0.00 H new ATOM 143 N LEU A 10 1.933 -5.565 7.505 1.00 0.00 N ATOM 144 CA LEU A 10 1.328 -5.818 8.789 1.00 0.00 C ATOM 145 C LEU A 10 1.057 -4.474 9.429 1.00 0.00 C ATOM 146 O LEU A 10 -0.055 -4.181 9.863 1.00 0.00 O ATOM 147 CB LEU A 10 2.321 -6.680 9.597 1.00 0.00 C ATOM 148 CG LEU A 10 1.740 -7.257 10.891 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.268 -8.699 10.665 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.766 -7.219 12.024 1.00 0.00 C ATOM 0 H LEU A 10 2.884 -5.930 7.454 1.00 0.00 H new ATOM 0 HA LEU A 10 0.383 -6.358 8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.667 -7.501 8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.195 -6.076 9.842 1.00 0.00 H new ATOM 0 HG LEU A 10 0.889 -6.640 11.179 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.857 -9.097 11.593 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.499 -8.713 9.892 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.112 -9.313 10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.324 -7.635 12.929 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.640 -7.807 11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.067 -6.188 12.208 1.00 0.00 H new ATOM 162 N ASN A 11 2.094 -3.639 9.430 1.00 0.00 N ATOM 163 CA ASN A 11 2.053 -2.377 10.120 1.00 0.00 C ATOM 164 C ASN A 11 1.172 -1.369 9.433 1.00 0.00 C ATOM 165 O ASN A 11 0.452 -0.609 10.070 1.00 0.00 O ATOM 166 CB ASN A 11 3.450 -1.793 10.252 1.00 0.00 C ATOM 167 CG ASN A 11 4.072 -2.122 11.591 1.00 0.00 C ATOM 168 OD1 ASN A 11 4.116 -1.278 12.484 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.535 -3.350 11.746 1.00 0.00 N ATOM 0 H ASN A 11 2.975 -3.828 8.952 1.00 0.00 H new ATOM 0 HA ASN A 11 1.633 -2.582 11.105 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.082 -2.179 9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.405 -0.711 10.128 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.950 -3.630 12.635 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.477 -4.018 10.977 1.00 0.00 H new ATOM 176 N PHE A 12 1.254 -1.324 8.115 1.00 0.00 N ATOM 177 CA PHE A 12 0.453 -0.423 7.326 1.00 0.00 C ATOM 178 C PHE A 12 -1.024 -0.678 7.626 1.00 0.00 C ATOM 179 O PHE A 12 -1.755 0.266 7.919 1.00 0.00 O ATOM 180 CB PHE A 12 0.853 -0.634 5.877 1.00 0.00 C ATOM 181 CG PHE A 12 0.153 0.233 4.846 1.00 0.00 C ATOM 182 CD1 PHE A 12 -1.057 -0.179 4.257 1.00 0.00 C ATOM 183 CD2 PHE A 12 0.748 1.443 4.429 1.00 0.00 C ATOM 184 CE1 PHE A 12 -1.653 0.597 3.249 1.00 0.00 C ATOM 185 CE2 PHE A 12 0.126 2.239 3.453 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.071 1.814 2.856 1.00 0.00 C ATOM 0 H PHE A 12 1.880 -1.914 7.567 1.00 0.00 H new ATOM 0 HA PHE A 12 0.619 0.628 7.564 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.926 -0.465 5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.673 -1.679 5.622 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.529 -1.095 4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.686 1.758 4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.562 0.257 2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.570 3.180 3.162 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.543 2.420 2.097 1.00 0.00 H new ATOM 196 N GLY A 13 -1.429 -1.949 7.697 1.00 0.00 N ATOM 197 CA GLY A 13 -2.780 -2.361 8.046 1.00 0.00 C ATOM 198 C GLY A 13 -3.128 -2.297 9.537 1.00 0.00 C ATOM 199 O GLY A 13 -4.140 -2.895 9.905 1.00 0.00 O ATOM 0 H GLY A 13 -0.807 -2.735 7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.484 -1.734 7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.929 -3.384 7.700 1.00 0.00 H new ATOM 203 N LYS A 14 -2.347 -1.626 10.402 1.00 0.00 N ATOM 204 CA LYS A 14 -2.713 -1.419 11.810 1.00 0.00 C ATOM 205 C LYS A 14 -4.099 -0.772 11.886 1.00 0.00 C ATOM 206 O LYS A 14 -5.045 -1.394 12.364 1.00 0.00 O ATOM 207 CB LYS A 14 -1.683 -0.546 12.548 1.00 0.00 C ATOM 208 CG LYS A 14 -0.318 -1.188 12.848 1.00 0.00 C ATOM 209 CD LYS A 14 -0.067 -1.515 14.323 1.00 0.00 C ATOM 210 CE LYS A 14 -0.544 -2.917 14.695 1.00 0.00 C ATOM 211 NZ LYS A 14 -0.080 -3.295 16.046 1.00 0.00 N ATOM 0 H LYS A 14 -1.450 -1.215 10.144 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.728 -2.392 12.302 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.513 0.353 11.955 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.123 -0.226 13.493 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.230 -2.106 12.268 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.467 -0.516 12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.998 -1.428 14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.578 -0.782 14.947 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.633 -2.956 14.657 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.173 -3.636 13.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.418 -4.252 16.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.960 -3.279 16.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.455 -2.620 16.743 1.00 0.00 H new ATOM 225 N ALA A 15 -4.230 0.454 11.369 1.00 0.00 N ATOM 226 CA ALA A 15 -5.443 1.263 11.446 1.00 0.00 C ATOM 227 C ALA A 15 -6.508 0.862 10.407 1.00 0.00 C ATOM 228 O ALA A 15 -7.296 1.710 9.988 1.00 0.00 O ATOM 229 CB ALA A 15 -5.050 2.742 11.302 1.00 0.00 C ATOM 0 H ALA A 15 -3.471 0.921 10.872 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.910 1.088 12.415 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.944 3.363 11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.367 3.017 12.106 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.560 2.896 10.341 1.00 0.00 H new ATOM 235 N LEU A 16 -6.533 -0.388 9.928 1.00 0.00 N ATOM 236 CA LEU A 16 -7.463 -0.788 8.870 1.00 0.00 C ATOM 237 C LEU A 16 -8.910 -0.621 9.330 1.00 0.00 C ATOM 238 O LEU A 16 -9.709 -0.013 8.628 1.00 0.00 O ATOM 239 CB LEU A 16 -7.189 -2.238 8.429 1.00 0.00 C ATOM 240 CG LEU A 16 -8.154 -2.698 7.316 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.844 -2.029 5.977 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.134 -4.216 7.148 1.00 0.00 C ATOM 0 H LEU A 16 -5.922 -1.136 10.256 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.306 -0.136 8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.162 -2.321 8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.284 -2.902 9.288 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.152 -2.392 7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.547 -2.382 5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.935 -0.948 6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.828 -2.280 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.825 -4.504 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.127 -4.540 6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.436 -4.689 8.082 1.00 0.00 H new ATOM 254 N ASP A 17 -9.259 -1.165 10.493 1.00 0.00 N ATOM 255 CA ASP A 17 -10.617 -1.123 11.038 1.00 0.00 C ATOM 256 C ASP A 17 -11.068 0.303 11.309 1.00 0.00 C ATOM 257 O ASP A 17 -12.222 0.645 11.077 1.00 0.00 O ATOM 258 CB ASP A 17 -10.631 -1.880 12.361 1.00 0.00 C ATOM 259 CG ASP A 17 -12.054 -2.261 12.741 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.628 -3.136 12.057 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.608 -1.741 13.731 1.00 0.00 O ATOM 0 H ASP A 17 -8.597 -1.656 11.094 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.291 -1.571 10.308 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.017 -2.777 12.280 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.192 -1.263 13.145 1.00 0.00 H new ATOM 266 N GLU A 18 -10.135 1.148 11.738 1.00 0.00 N ATOM 267 CA GLU A 18 -10.366 2.584 11.858 1.00 0.00 C ATOM 268 C GLU A 18 -10.806 3.119 10.502 1.00 0.00 C ATOM 269 O GLU A 18 -11.916 3.622 10.380 1.00 0.00 O ATOM 270 CB GLU A 18 -9.129 3.327 12.375 1.00 0.00 C ATOM 271 CG GLU A 18 -9.028 3.241 13.900 1.00 0.00 C ATOM 272 CD GLU A 18 -9.719 4.438 14.555 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.950 4.616 14.402 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.001 5.268 15.152 1.00 0.00 O ATOM 0 H GLU A 18 -9.197 0.856 12.012 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.150 2.756 12.595 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.232 2.903 11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.175 4.372 12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.486 2.315 14.248 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.980 3.211 14.199 1.00 0.00 H new ATOM 281 N CYS A 19 -9.974 2.963 9.468 1.00 0.00 N ATOM 282 CA CYS A 19 -10.283 3.399 8.111 1.00 0.00 C ATOM 283 C CYS A 19 -11.584 2.796 7.562 1.00 0.00 C ATOM 284 O CYS A 19 -12.278 3.452 6.786 1.00 0.00 O ATOM 285 CB CYS A 19 -9.091 3.075 7.204 1.00 0.00 C ATOM 286 SG CYS A 19 -7.722 4.233 7.410 1.00 0.00 S ATOM 0 H CYS A 19 -9.057 2.525 9.555 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.453 4.475 8.134 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.742 2.065 7.417 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.418 3.087 6.164 1.00 0.00 H new ATOM 291 N LYS A 20 -11.944 1.572 7.960 1.00 0.00 N ATOM 292 CA LYS A 20 -13.203 0.954 7.628 1.00 0.00 C ATOM 293 C LYS A 20 -14.349 1.745 8.236 1.00 0.00 C ATOM 294 O LYS A 20 -15.229 2.182 7.500 1.00 0.00 O ATOM 295 CB LYS A 20 -13.184 -0.498 8.109 1.00 0.00 C ATOM 296 CG LYS A 20 -12.321 -1.417 7.236 1.00 0.00 C ATOM 297 CD LYS A 20 -11.897 -2.741 7.878 1.00 0.00 C ATOM 298 CE LYS A 20 -13.098 -3.454 8.486 1.00 0.00 C ATOM 299 NZ LYS A 20 -12.730 -4.338 9.602 1.00 0.00 N ATOM 0 H LYS A 20 -11.344 0.981 8.535 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.353 0.954 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.813 -0.529 9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.205 -0.880 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.870 -1.638 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.423 -0.872 6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.429 -3.380 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.150 -2.554 8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.816 -2.713 8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.597 -4.040 7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.366 -5.161 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.749 -4.661 9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.815 -3.818 10.499 1.00 0.00 H new ATOM 313 N LYS A 21 -14.359 1.942 9.555 1.00 0.00 N ATOM 314 CA LYS A 21 -15.432 2.680 10.214 1.00 0.00 C ATOM 315 C LYS A 21 -15.483 4.126 9.732 1.00 0.00 C ATOM 316 O LYS A 21 -16.576 4.647 9.536 1.00 0.00 O ATOM 317 CB LYS A 21 -15.262 2.627 11.738 1.00 0.00 C ATOM 318 CG LYS A 21 -15.894 1.372 12.349 1.00 0.00 C ATOM 319 CD LYS A 21 -15.126 0.064 12.143 1.00 0.00 C ATOM 320 CE LYS A 21 -15.883 -1.017 12.912 1.00 0.00 C ATOM 321 NZ LYS A 21 -15.264 -2.349 12.823 1.00 0.00 N ATOM 0 H LYS A 21 -13.635 1.600 10.186 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.377 2.205 9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.201 2.654 11.984 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.715 3.513 12.183 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.014 1.535 13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.894 1.253 11.931 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.065 -0.186 11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.103 0.154 12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.949 -0.726 13.960 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.903 -1.074 12.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.973 -3.077 13.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.901 -2.499 11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.480 -2.413 13.503 1.00 0.00 H new ATOM 335 N GLU A 22 -14.326 4.750 9.521 1.00 0.00 N ATOM 336 CA GLU A 22 -14.193 6.143 9.114 1.00 0.00 C ATOM 337 C GLU A 22 -14.937 6.448 7.817 1.00 0.00 C ATOM 338 O GLU A 22 -15.385 7.579 7.644 1.00 0.00 O ATOM 339 CB GLU A 22 -12.704 6.466 8.904 1.00 0.00 C ATOM 340 CG GLU A 22 -11.922 6.695 10.206 1.00 0.00 C ATOM 341 CD GLU A 22 -11.344 8.103 10.304 1.00 0.00 C ATOM 342 OE1 GLU A 22 -10.278 8.355 9.697 1.00 0.00 O ATOM 343 OE2 GLU A 22 -11.877 8.913 11.099 1.00 0.00 O ATOM 0 H GLU A 22 -13.427 4.282 9.633 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.628 6.754 9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.240 5.648 8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.621 7.357 8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.580 6.516 11.057 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.112 5.969 10.271 1.00 0.00 H new ATOM 350 N MET A 23 -15.018 5.487 6.893 1.00 0.00 N ATOM 351 CA MET A 23 -15.520 5.723 5.549 1.00 0.00 C ATOM 352 C MET A 23 -16.666 4.787 5.161 1.00 0.00 C ATOM 353 O MET A 23 -17.226 4.932 4.074 1.00 0.00 O ATOM 354 CB MET A 23 -14.350 5.611 4.566 1.00 0.00 C ATOM 355 CG MET A 23 -13.162 6.509 4.938 1.00 0.00 C ATOM 356 SD MET A 23 -12.203 7.155 3.554 1.00 0.00 S ATOM 357 CE MET A 23 -11.427 5.636 2.991 1.00 0.00 C ATOM 0 H MET A 23 -14.735 4.522 7.063 1.00 0.00 H new ATOM 0 HA MET A 23 -15.946 6.726 5.514 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.015 4.574 4.526 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.697 5.873 3.566 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.536 7.351 5.521 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.493 5.944 5.587 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.529 5.876 2.422 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.159 5.024 3.852 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.122 5.086 2.357 1.00 0.00 H new ATOM 367 N THR A 24 -17.047 3.851 6.033 1.00 0.00 N ATOM 368 CA THR A 24 -17.739 2.619 5.675 1.00 0.00 C ATOM 369 C THR A 24 -16.993 1.917 4.535 1.00 0.00 C ATOM 370 O THR A 24 -17.356 2.022 3.358 1.00 0.00 O ATOM 371 CB THR A 24 -19.218 2.872 5.339 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.940 3.499 6.384 1.00 0.00 O ATOM 373 CG2 THR A 24 -19.948 1.555 5.077 1.00 0.00 C ATOM 0 H THR A 24 -16.876 3.935 7.035 1.00 0.00 H new ATOM 0 HA THR A 24 -17.739 1.954 6.539 1.00 0.00 H new ATOM 0 HB THR A 24 -19.190 3.522 4.465 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.870 3.632 6.105 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.993 1.759 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.480 1.040 4.238 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.892 0.925 5.965 1.00 0.00 H new ATOM 381 N LEU A 25 -15.964 1.149 4.882 1.00 0.00 N ATOM 382 CA LEU A 25 -15.370 0.154 3.994 1.00 0.00 C ATOM 383 C LEU A 25 -15.766 -1.203 4.552 1.00 0.00 C ATOM 384 O LEU A 25 -16.017 -1.339 5.751 1.00 0.00 O ATOM 385 CB LEU A 25 -13.843 0.310 3.886 1.00 0.00 C ATOM 386 CG LEU A 25 -13.383 1.769 3.713 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.858 1.836 3.655 1.00 0.00 C ATOM 388 CD2 LEU A 25 -13.970 2.410 2.447 1.00 0.00 C ATOM 0 H LEU A 25 -15.515 1.200 5.796 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.736 0.278 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.380 -0.104 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.485 -0.278 3.041 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.748 2.328 4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.544 2.872 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.441 1.437 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.500 1.246 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.620 3.439 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.649 1.846 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.058 2.401 2.506 1.00 0.00 H new ATOM 400 N THR A 26 -15.870 -2.184 3.667 1.00 0.00 N ATOM 401 CA THR A 26 -16.451 -3.467 4.008 1.00 0.00 C ATOM 402 C THR A 26 -15.466 -4.285 4.840 1.00 0.00 C ATOM 403 O THR A 26 -14.258 -4.046 4.809 1.00 0.00 O ATOM 404 CB THR A 26 -16.906 -4.165 2.715 1.00 0.00 C ATOM 405 OG1 THR A 26 -15.829 -4.455 1.849 1.00 0.00 O ATOM 406 CG2 THR A 26 -17.892 -3.279 1.950 1.00 0.00 C ATOM 0 H THR A 26 -15.555 -2.111 2.700 1.00 0.00 H new ATOM 0 HA THR A 26 -17.335 -3.344 4.634 1.00 0.00 H new ATOM 0 HB THR A 26 -17.374 -5.100 3.023 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.177 -4.750 0.982 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.205 -3.787 1.037 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.764 -3.083 2.573 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.410 -2.336 1.693 1.00 0.00 H new ATOM 414 N ASP A 27 -15.964 -5.298 5.553 1.00 0.00 N ATOM 415 CA ASP A 27 -15.068 -6.233 6.230 1.00 0.00 C ATOM 416 C ASP A 27 -14.408 -7.151 5.191 1.00 0.00 C ATOM 417 O ASP A 27 -13.342 -7.697 5.453 1.00 0.00 O ATOM 418 CB ASP A 27 -15.815 -7.005 7.330 1.00 0.00 C ATOM 419 CG ASP A 27 -14.938 -7.246 8.560 1.00 0.00 C ATOM 420 OD1 ASP A 27 -14.599 -6.263 9.257 1.00 0.00 O ATOM 421 OD2 ASP A 27 -14.585 -8.402 8.873 1.00 0.00 O ATOM 0 H ASP A 27 -16.959 -5.488 5.674 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.272 -5.686 6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.705 -6.448 7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.154 -7.962 6.934 1.00 0.00 H new ATOM 426 N ALA A 28 -14.978 -7.250 3.981 1.00 0.00 N ATOM 427 CA ALA A 28 -14.458 -8.014 2.853 1.00 0.00 C ATOM 428 C ALA A 28 -13.069 -7.553 2.401 1.00 0.00 C ATOM 429 O ALA A 28 -12.329 -8.353 1.833 1.00 0.00 O ATOM 430 CB ALA A 28 -15.430 -7.929 1.667 1.00 0.00 C ATOM 0 H ALA A 28 -15.853 -6.776 3.759 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.361 -9.044 3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.033 -8.503 0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.398 -8.336 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.550 -6.887 1.369 1.00 0.00 H new ATOM 436 N ILE A 29 -12.664 -6.309 2.670 1.00 0.00 N ATOM 437 CA ILE A 29 -11.310 -5.883 2.338 1.00 0.00 C ATOM 438 C ILE A 29 -10.276 -6.660 3.146 1.00 0.00 C ATOM 439 O ILE A 29 -9.152 -6.798 2.671 1.00 0.00 O ATOM 440 CB ILE A 29 -11.113 -4.367 2.495 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.072 -3.921 3.970 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.134 -3.612 1.628 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.221 -2.410 4.113 1.00 0.00 C ATOM 0 H ILE A 29 -13.245 -5.594 3.108 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.159 -6.110 1.283 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.125 -4.101 2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.870 -4.418 4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.130 -4.237 4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.987 -2.538 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.996 -3.885 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.144 -3.877 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.187 -2.139 5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.408 -1.913 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.175 -2.097 3.689 1.00 0.00 H new ATOM 455 N ASN A 30 -10.637 -7.217 4.314 1.00 0.00 N ATOM 456 CA ASN A 30 -9.763 -8.107 5.049 1.00 0.00 C ATOM 457 C ASN A 30 -9.350 -9.254 4.144 1.00 0.00 C ATOM 458 O ASN A 30 -8.220 -9.698 4.262 1.00 0.00 O ATOM 459 CB ASN A 30 -10.473 -8.737 6.252 1.00 0.00 C ATOM 460 CG ASN A 30 -10.597 -7.862 7.481 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.641 -7.662 8.229 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.792 -7.385 7.760 1.00 0.00 N ATOM 0 H ASN A 30 -11.539 -7.056 4.761 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.913 -7.517 5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.474 -9.038 5.942 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.939 -9.646 6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.938 -6.839 8.609 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.572 -7.562 7.127 1.00 0.00 H new ATOM 469 N GLU A 31 -10.244 -9.745 3.274 1.00 0.00 N ATOM 470 CA GLU A 31 -9.962 -10.824 2.339 1.00 0.00 C ATOM 471 C GLU A 31 -8.990 -10.380 1.254 1.00 0.00 C ATOM 472 O GLU A 31 -8.108 -11.163 0.900 1.00 0.00 O ATOM 473 CB GLU A 31 -11.262 -11.344 1.700 1.00 0.00 C ATOM 474 CG GLU A 31 -11.519 -12.760 2.185 1.00 0.00 C ATOM 475 CD GLU A 31 -12.858 -13.284 1.682 1.00 0.00 C ATOM 476 OE1 GLU A 31 -13.029 -13.386 0.443 1.00 0.00 O ATOM 477 OE2 GLU A 31 -13.708 -13.653 2.523 1.00 0.00 O ATOM 0 H GLU A 31 -11.198 -9.391 3.206 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.497 -11.632 2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.098 -10.697 1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.180 -11.327 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.718 -13.415 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.504 -12.782 3.275 1.00 0.00 H new ATOM 484 N ASP A 32 -9.128 -9.158 0.730 1.00 0.00 N ATOM 485 CA ASP A 32 -8.219 -8.697 -0.321 1.00 0.00 C ATOM 486 C ASP A 32 -6.821 -8.514 0.254 1.00 0.00 C ATOM 487 O ASP A 32 -5.846 -8.931 -0.358 1.00 0.00 O ATOM 488 CB ASP A 32 -8.677 -7.383 -0.958 1.00 0.00 C ATOM 489 CG ASP A 32 -8.794 -7.416 -2.458 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.783 -7.955 -2.997 1.00 0.00 O ATOM 491 OD2 ASP A 32 -7.919 -6.787 -3.082 1.00 0.00 O ATOM 0 H ASP A 32 -9.842 -8.485 1.008 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.217 -9.459 -1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.645 -7.110 -0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.975 -6.597 -0.680 1.00 0.00 H new ATOM 496 N PHE A 33 -6.719 -7.912 1.440 1.00 0.00 N ATOM 497 CA PHE A 33 -5.460 -7.707 2.143 1.00 0.00 C ATOM 498 C PHE A 33 -4.854 -9.040 2.585 1.00 0.00 C ATOM 499 O PHE A 33 -3.647 -9.251 2.453 1.00 0.00 O ATOM 500 CB PHE A 33 -5.718 -6.795 3.347 1.00 0.00 C ATOM 501 CG PHE A 33 -5.841 -5.324 2.996 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.775 -4.654 2.362 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.019 -4.619 3.303 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.891 -3.292 2.038 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.157 -3.276 2.923 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.087 -2.606 2.312 1.00 0.00 C ATOM 0 H PHE A 33 -7.527 -7.548 1.945 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.740 -7.236 1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.634 -7.117 3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.906 -6.920 4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.867 -5.189 2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.820 -5.113 3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.063 -2.773 1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.088 -2.758 3.101 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.182 -1.562 2.052 1.00 0.00 H new ATOM 516 N TYR A 34 -5.673 -9.956 3.099 1.00 0.00 N ATOM 517 CA TYR A 34 -5.260 -11.290 3.505 1.00 0.00 C ATOM 518 C TYR A 34 -4.717 -12.081 2.321 1.00 0.00 C ATOM 519 O TYR A 34 -3.722 -12.779 2.486 1.00 0.00 O ATOM 520 CB TYR A 34 -6.453 -12.011 4.133 1.00 0.00 C ATOM 521 CG TYR A 34 -6.306 -13.504 4.271 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.289 -14.052 5.073 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.181 -14.342 3.556 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.126 -15.446 5.124 1.00 0.00 C ATOM 525 CE2 TYR A 34 -7.016 -15.733 3.594 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.966 -16.285 4.357 1.00 0.00 C ATOM 527 OH TYR A 34 -5.756 -17.621 4.354 1.00 0.00 O ATOM 0 H TYR A 34 -6.667 -9.782 3.247 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.457 -11.207 4.237 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.633 -11.588 5.121 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.338 -11.804 3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.639 -13.406 5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.983 -13.911 2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.358 -15.877 5.750 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.687 -16.377 3.044 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.420 -18.055 3.778 1.00 0.00 H new ATOM 537 N ASN A 35 -5.324 -11.960 1.137 1.00 0.00 N ATOM 538 CA ASN A 35 -4.872 -12.614 -0.098 1.00 0.00 C ATOM 539 C ASN A 35 -4.000 -11.686 -0.953 1.00 0.00 C ATOM 540 O ASN A 35 -3.752 -11.974 -2.128 1.00 0.00 O ATOM 541 CB ASN A 35 -6.062 -13.099 -0.932 1.00 0.00 C ATOM 542 CG ASN A 35 -6.865 -14.217 -0.290 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.428 -15.361 -0.247 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.062 -13.915 0.177 1.00 0.00 N ATOM 0 H ASN A 35 -6.162 -11.393 1.006 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.270 -13.470 0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.725 -12.255 -1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.696 -13.441 -1.900 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.648 -14.642 0.586 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.401 -12.954 0.128 1.00 0.00 H new ATOM 551 N PHE A 36 -3.511 -10.559 -0.424 1.00 0.00 N ATOM 552 CA PHE A 36 -2.717 -9.630 -1.227 1.00 0.00 C ATOM 553 C PHE A 36 -1.448 -10.322 -1.741 1.00 0.00 C ATOM 554 O PHE A 36 -1.025 -10.051 -2.856 1.00 0.00 O ATOM 555 CB PHE A 36 -2.385 -8.384 -0.406 1.00 0.00 C ATOM 556 CG PHE A 36 -1.625 -7.294 -1.149 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.260 -6.457 -2.090 1.00 0.00 C ATOM 558 CD2 PHE A 36 -0.264 -7.100 -0.869 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.533 -5.449 -2.760 1.00 0.00 C ATOM 560 CE2 PHE A 36 0.449 -6.080 -1.517 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.167 -5.268 -2.472 1.00 0.00 C ATOM 0 H PHE A 36 -3.650 -10.273 0.545 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.297 -9.316 -2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.315 -7.961 -0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.797 -8.687 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.311 -6.588 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.236 -7.737 -0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.022 -4.820 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.489 -5.920 -1.274 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.401 -4.507 -2.986 1.00 0.00 H new ATOM 571 N TRP A 37 -0.936 -11.297 -0.978 1.00 0.00 N ATOM 572 CA TRP A 37 0.194 -12.136 -1.343 1.00 0.00 C ATOM 573 C TRP A 37 -0.194 -13.565 -1.751 1.00 0.00 C ATOM 574 O TRP A 37 0.616 -14.489 -1.607 1.00 0.00 O ATOM 575 CB TRP A 37 1.242 -12.100 -0.228 1.00 0.00 C ATOM 576 CG TRP A 37 1.700 -10.732 0.159 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.621 -10.171 1.386 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.296 -9.731 -0.709 1.00 0.00 C ATOM 579 NE1 TRP A 37 2.213 -8.927 1.350 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.640 -8.601 0.081 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.582 -9.667 -2.085 1.00 0.00 C ATOM 582 CZ2 TRP A 37 3.230 -7.458 -0.472 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.149 -8.519 -2.651 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.447 -7.409 -1.856 1.00 0.00 C ATOM 0 H TRP A 37 -1.316 -11.524 -0.059 1.00 0.00 H new ATOM 0 HA TRP A 37 0.632 -11.717 -2.249 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.831 -12.593 0.653 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.108 -12.682 -0.544 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.167 -10.624 2.255 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.322 -8.321 2.164 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.361 -10.516 -2.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.513 -6.627 0.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.358 -8.491 -3.710 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.845 -6.513 -2.308 1.00 0.00 H new ATOM 595 N LYS A 38 -1.397 -13.780 -2.296 1.00 0.00 N ATOM 596 CA LYS A 38 -1.652 -14.941 -3.129 1.00 0.00 C ATOM 597 C LYS A 38 -0.855 -14.786 -4.430 1.00 0.00 C ATOM 598 O LYS A 38 -0.303 -13.720 -4.700 1.00 0.00 O ATOM 599 CB LYS A 38 -3.154 -15.016 -3.418 1.00 0.00 C ATOM 600 CG LYS A 38 -3.878 -16.085 -2.601 1.00 0.00 C ATOM 601 CD LYS A 38 -5.189 -16.477 -3.279 1.00 0.00 C ATOM 602 CE LYS A 38 -5.939 -17.551 -2.491 1.00 0.00 C ATOM 603 NZ LYS A 38 -7.146 -17.988 -3.219 1.00 0.00 N ATOM 0 H LYS A 38 -2.200 -13.164 -2.171 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.344 -15.860 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.605 -14.045 -3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.302 -15.218 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.241 -16.963 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.078 -15.711 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.821 -15.595 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.982 -16.842 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.284 -18.405 -2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.220 -17.161 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.640 -18.717 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.778 -17.175 -3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.872 -18.380 -4.142 1.00 0.00 H new ATOM 617 N GLU A 39 -0.861 -15.807 -5.282 1.00 0.00 N ATOM 618 CA GLU A 39 0.073 -15.976 -6.402 1.00 0.00 C ATOM 619 C GLU A 39 -0.397 -15.397 -7.747 1.00 0.00 C ATOM 620 O GLU A 39 0.027 -15.835 -8.821 1.00 0.00 O ATOM 621 CB GLU A 39 0.466 -17.465 -6.493 1.00 0.00 C ATOM 622 CG GLU A 39 -0.658 -18.329 -7.097 1.00 0.00 C ATOM 623 CD GLU A 39 -0.602 -19.772 -6.609 1.00 0.00 C ATOM 624 OE1 GLU A 39 0.152 -20.590 -7.196 1.00 0.00 O ATOM 625 OE2 GLU A 39 -1.318 -20.090 -5.640 1.00 0.00 O ATOM 0 H GLU A 39 -1.537 -16.568 -5.213 1.00 0.00 H new ATOM 0 HA GLU A 39 0.952 -15.370 -6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.365 -17.565 -7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.711 -17.835 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.625 -17.897 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.582 -18.312 -8.184 1.00 0.00 H new ATOM 632 N GLY A 40 -1.274 -14.399 -7.711 1.00 0.00 N ATOM 633 CA GLY A 40 -1.943 -13.868 -8.892 1.00 0.00 C ATOM 634 C GLY A 40 -3.412 -13.562 -8.623 1.00 0.00 C ATOM 635 O GLY A 40 -4.186 -13.428 -9.572 1.00 0.00 O ATOM 0 H GLY A 40 -1.544 -13.930 -6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.437 -12.960 -9.219 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.865 -14.587 -9.708 1.00 0.00 H new ATOM 639 N TYR A 41 -3.802 -13.460 -7.351 1.00 0.00 N ATOM 640 CA TYR A 41 -5.088 -12.913 -6.933 1.00 0.00 C ATOM 641 C TYR A 41 -5.263 -11.519 -7.528 1.00 0.00 C ATOM 642 O TYR A 41 -4.326 -10.714 -7.525 1.00 0.00 O ATOM 643 CB TYR A 41 -5.117 -12.864 -5.401 1.00 0.00 C ATOM 644 CG TYR A 41 -6.285 -12.151 -4.740 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.445 -10.742 -4.781 1.00 0.00 C ATOM 646 CD2 TYR A 41 -7.207 -12.933 -4.026 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.524 -10.150 -4.083 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.287 -12.356 -3.363 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.475 -10.966 -3.418 1.00 0.00 C ATOM 650 OH TYR A 41 -9.601 -10.482 -2.832 1.00 0.00 O ATOM 0 H TYR A 41 -3.220 -13.762 -6.570 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.908 -13.538 -7.287 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.098 -13.889 -5.032 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.197 -12.386 -5.063 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.752 -10.129 -5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.076 -14.004 -3.990 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.624 -9.075 -4.056 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.977 -12.975 -2.809 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.889 -9.669 -3.298 1.00 0.00 H new ATOM 660 N GLU A 42 -6.472 -11.210 -7.993 1.00 0.00 N ATOM 661 CA GLU A 42 -6.816 -9.937 -8.550 1.00 0.00 C ATOM 662 C GLU A 42 -7.716 -9.112 -7.638 1.00 0.00 C ATOM 663 O GLU A 42 -8.661 -9.606 -7.023 1.00 0.00 O ATOM 664 CB GLU A 42 -7.425 -10.189 -9.942 1.00 0.00 C ATOM 665 CG GLU A 42 -7.482 -8.878 -10.710 1.00 0.00 C ATOM 666 CD GLU A 42 -7.885 -9.027 -12.183 1.00 0.00 C ATOM 667 OE1 GLU A 42 -9.066 -9.293 -12.481 1.00 0.00 O ATOM 668 OE2 GLU A 42 -7.023 -8.881 -13.086 1.00 0.00 O ATOM 0 H GLU A 42 -7.250 -11.869 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.921 -9.323 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.825 -10.918 -10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.426 -10.610 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.190 -8.212 -10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.505 -8.398 -10.659 1.00 0.00 H new ATOM 675 N ILE A 43 -7.400 -7.822 -7.624 1.00 0.00 N ATOM 676 CA ILE A 43 -7.758 -6.810 -6.654 1.00 0.00 C ATOM 677 C ILE A 43 -8.700 -5.892 -7.424 1.00 0.00 C ATOM 678 O ILE A 43 -8.243 -5.198 -8.336 1.00 0.00 O ATOM 679 CB ILE A 43 -6.434 -6.118 -6.231 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.492 -7.123 -5.527 1.00 0.00 C ATOM 681 CG2 ILE A 43 -6.659 -4.862 -5.377 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.119 -6.551 -5.181 1.00 0.00 C ATOM 0 H ILE A 43 -6.829 -7.426 -8.370 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.244 -7.161 -5.744 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.951 -5.775 -7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.970 -7.473 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.360 -7.993 -6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.696 -4.424 -5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.245 -4.137 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.196 -5.132 -4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.519 -7.317 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.619 -6.228 -6.094 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.238 -5.699 -4.511 1.00 0.00 H new ATOM 694 N LYS A 44 -10.010 -5.963 -7.178 1.00 0.00 N ATOM 695 CA LYS A 44 -10.994 -5.145 -7.894 1.00 0.00 C ATOM 696 C LYS A 44 -11.989 -4.461 -6.959 1.00 0.00 C ATOM 697 O LYS A 44 -12.748 -3.599 -7.413 1.00 0.00 O ATOM 698 CB LYS A 44 -11.710 -5.994 -8.947 1.00 0.00 C ATOM 699 CG LYS A 44 -10.749 -6.319 -10.096 1.00 0.00 C ATOM 700 CD LYS A 44 -11.380 -7.164 -11.196 1.00 0.00 C ATOM 701 CE LYS A 44 -11.643 -8.591 -10.697 1.00 0.00 C ATOM 702 NZ LYS A 44 -11.708 -9.550 -11.814 1.00 0.00 N ATOM 0 H LYS A 44 -10.418 -6.586 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.452 -4.341 -8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.076 -6.916 -8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.579 -5.459 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.384 -5.387 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.882 -6.846 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.315 -6.708 -11.521 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.721 -7.192 -12.064 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.853 -8.888 -10.007 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.579 -8.616 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.116 -10.446 -11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.304 -9.160 -12.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.750 -9.721 -12.181 1.00 0.00 H new ATOM 716 N ASN A 45 -12.004 -4.802 -5.672 1.00 0.00 N ATOM 717 CA ASN A 45 -12.734 -4.091 -4.637 1.00 0.00 C ATOM 718 C ASN A 45 -12.145 -2.693 -4.513 1.00 0.00 C ATOM 719 O ASN A 45 -11.063 -2.487 -3.962 1.00 0.00 O ATOM 720 CB ASN A 45 -12.664 -4.849 -3.305 1.00 0.00 C ATOM 721 CG ASN A 45 -13.797 -4.416 -2.402 1.00 0.00 C ATOM 722 OD1 ASN A 45 -13.570 -3.692 -1.446 1.00 0.00 O ATOM 723 ND2 ASN A 45 -15.026 -4.818 -2.687 1.00 0.00 N ATOM 0 H ASN A 45 -11.490 -5.607 -5.315 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.788 -4.018 -4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.722 -5.923 -3.485 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.707 -4.658 -2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.808 -4.523 -2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.191 -5.423 -3.491 1.00 0.00 H new ATOM 730 N ARG A 46 -12.852 -1.701 -5.041 1.00 0.00 N ATOM 731 CA ARG A 46 -12.446 -0.309 -5.007 1.00 0.00 C ATOM 732 C ARG A 46 -12.243 0.150 -3.569 1.00 0.00 C ATOM 733 O ARG A 46 -11.428 1.044 -3.316 1.00 0.00 O ATOM 734 CB ARG A 46 -13.578 0.437 -5.718 1.00 0.00 C ATOM 735 CG ARG A 46 -13.623 1.952 -5.535 1.00 0.00 C ATOM 736 CD ARG A 46 -14.972 2.517 -6.002 1.00 0.00 C ATOM 737 NE ARG A 46 -15.233 2.301 -7.431 1.00 0.00 N ATOM 738 CZ ARG A 46 -15.897 1.287 -7.994 1.00 0.00 C ATOM 739 NH1 ARG A 46 -16.301 0.238 -7.276 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.164 1.332 -9.291 1.00 0.00 N ATOM 0 H ARG A 46 -13.743 -1.850 -5.514 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.491 -0.125 -5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.507 0.225 -6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.526 0.024 -5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.463 2.201 -4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.814 2.415 -6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.771 2.056 -5.421 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.001 3.586 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.865 3.007 -8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.105 0.198 -6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.806 -0.525 -7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.864 2.133 -9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.670 0.565 -9.734 1.00 0.00 H new ATOM 754 N GLU A 47 -12.980 -0.439 -2.632 1.00 0.00 N ATOM 755 CA GLU A 47 -12.882 -0.082 -1.231 1.00 0.00 C ATOM 756 C GLU A 47 -11.509 -0.469 -0.677 1.00 0.00 C ATOM 757 O GLU A 47 -11.064 0.177 0.269 1.00 0.00 O ATOM 758 CB GLU A 47 -14.020 -0.677 -0.383 1.00 0.00 C ATOM 759 CG GLU A 47 -15.422 -0.504 -0.986 1.00 0.00 C ATOM 760 CD GLU A 47 -15.853 -1.627 -1.946 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.444 -1.610 -3.132 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.691 -2.462 -1.524 1.00 0.00 O ATOM 0 H GLU A 47 -13.659 -1.175 -2.828 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.992 1.000 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.830 -1.740 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.003 -0.212 0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.146 -0.441 -0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.458 0.446 -1.520 1.00 0.00 H new ATOM 769 N THR A 48 -10.798 -1.445 -1.268 1.00 0.00 N ATOM 770 CA THR A 48 -9.438 -1.747 -0.841 1.00 0.00 C ATOM 771 C THR A 48 -8.519 -0.606 -1.279 1.00 0.00 C ATOM 772 O THR A 48 -7.750 -0.092 -0.473 1.00 0.00 O ATOM 773 CB THR A 48 -8.916 -3.135 -1.238 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.470 -3.228 -2.572 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.890 -4.269 -0.940 1.00 0.00 C ATOM 0 H THR A 48 -11.144 -2.026 -2.031 1.00 0.00 H new ATOM 0 HA THR A 48 -9.448 -1.811 0.247 1.00 0.00 H new ATOM 0 HB THR A 48 -8.047 -3.259 -0.592 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.209 -3.014 -3.180 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.450 -5.217 -1.248 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.100 -4.297 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.818 -4.105 -1.488 1.00 0.00 H new ATOM 783 N GLY A 49 -8.670 -0.126 -2.519 1.00 0.00 N ATOM 784 CA GLY A 49 -8.004 1.062 -3.044 1.00 0.00 C ATOM 785 C GLY A 49 -8.132 2.242 -2.078 1.00 0.00 C ATOM 786 O GLY A 49 -7.128 2.816 -1.651 1.00 0.00 O ATOM 0 H GLY A 49 -9.280 -0.572 -3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.950 0.844 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.438 1.329 -4.008 1.00 0.00 H new ATOM 790 N CYS A 50 -9.360 2.587 -1.676 1.00 0.00 N ATOM 791 CA CYS A 50 -9.560 3.667 -0.712 1.00 0.00 C ATOM 792 C CYS A 50 -9.072 3.323 0.699 1.00 0.00 C ATOM 793 O CYS A 50 -8.642 4.223 1.419 1.00 0.00 O ATOM 794 CB CYS A 50 -11.015 4.148 -0.691 1.00 0.00 C ATOM 795 SG CYS A 50 -11.160 5.771 -1.475 1.00 0.00 S ATOM 0 H CYS A 50 -10.218 2.139 -1.999 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.935 4.489 -1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.649 3.429 -1.210 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.371 4.202 0.338 1.00 0.00 H new ATOM 800 N ALA A 51 -9.117 2.058 1.123 1.00 0.00 N ATOM 801 CA ALA A 51 -8.536 1.649 2.395 1.00 0.00 C ATOM 802 C ALA A 51 -7.039 1.937 2.405 1.00 0.00 C ATOM 803 O ALA A 51 -6.543 2.494 3.379 1.00 0.00 O ATOM 804 CB ALA A 51 -8.794 0.166 2.673 1.00 0.00 C ATOM 0 H ALA A 51 -9.553 1.299 0.598 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.015 2.226 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.348 -0.108 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.868 -0.016 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.350 -0.435 1.880 1.00 0.00 H new ATOM 810 N ILE A 52 -6.328 1.592 1.330 1.00 0.00 N ATOM 811 CA ILE A 52 -4.901 1.844 1.170 1.00 0.00 C ATOM 812 C ILE A 52 -4.652 3.345 1.293 1.00 0.00 C ATOM 813 O ILE A 52 -3.775 3.736 2.056 1.00 0.00 O ATOM 814 CB ILE A 52 -4.392 1.226 -0.156 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.501 -0.309 -0.063 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.935 1.594 -0.477 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.420 -1.055 -1.390 1.00 0.00 C ATOM 0 H ILE A 52 -6.743 1.118 0.528 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.325 1.357 1.957 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.013 1.630 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.706 -0.673 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.447 -0.560 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.641 1.129 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.844 2.677 -0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.285 1.237 0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.507 -2.127 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.231 -0.729 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.464 -0.844 -1.868 1.00 0.00 H new ATOM 829 N MET A 53 -5.434 4.191 0.620 1.00 0.00 N ATOM 830 CA MET A 53 -5.287 5.641 0.705 1.00 0.00 C ATOM 831 C MET A 53 -5.481 6.155 2.140 1.00 0.00 C ATOM 832 O MET A 53 -4.633 6.888 2.662 1.00 0.00 O ATOM 833 CB MET A 53 -6.247 6.280 -0.303 1.00 0.00 C ATOM 834 CG MET A 53 -6.079 7.798 -0.394 1.00 0.00 C ATOM 835 SD MET A 53 -7.346 8.741 0.487 1.00 0.00 S ATOM 836 CE MET A 53 -8.797 8.266 -0.494 1.00 0.00 C ATOM 0 H MET A 53 -6.186 3.888 0.001 1.00 0.00 H new ATOM 0 HA MET A 53 -4.268 5.929 0.445 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.081 5.840 -1.286 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.273 6.048 -0.019 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.100 8.068 0.003 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.089 8.091 -1.444 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.348 9.160 -0.785 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.473 7.732 -1.387 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.443 7.620 0.101 1.00 0.00 H new ATOM 846 N CYS A 54 -6.546 5.718 2.820 1.00 0.00 N ATOM 847 CA CYS A 54 -6.778 6.055 4.221 1.00 0.00 C ATOM 848 C CYS A 54 -5.611 5.591 5.094 1.00 0.00 C ATOM 849 O CYS A 54 -5.102 6.356 5.906 1.00 0.00 O ATOM 850 CB CYS A 54 -8.099 5.461 4.718 1.00 0.00 C ATOM 851 SG CYS A 54 -8.461 5.859 6.445 1.00 0.00 S ATOM 0 H CYS A 54 -7.267 5.123 2.413 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.848 7.140 4.297 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.912 5.826 4.091 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.068 4.378 4.601 1.00 0.00 H new ATOM 856 N LEU A 55 -5.150 4.353 4.926 1.00 0.00 N ATOM 857 CA LEU A 55 -4.031 3.833 5.691 1.00 0.00 C ATOM 858 C LEU A 55 -2.800 4.691 5.425 1.00 0.00 C ATOM 859 O LEU A 55 -2.195 5.145 6.385 1.00 0.00 O ATOM 860 CB LEU A 55 -3.767 2.360 5.347 1.00 0.00 C ATOM 861 CG LEU A 55 -4.792 1.382 5.949 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.493 -0.032 5.440 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.776 1.409 7.482 1.00 0.00 C ATOM 0 H LEU A 55 -5.543 3.690 4.258 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.271 3.877 6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.765 2.246 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.772 2.088 5.698 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.788 1.691 5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.215 -0.731 5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.564 -0.050 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.487 -0.323 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.514 0.705 7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.786 1.129 7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.017 2.413 7.831 1.00 0.00 H new ATOM 875 N SER A 56 -2.456 4.985 4.167 1.00 0.00 N ATOM 876 CA SER A 56 -1.348 5.864 3.801 1.00 0.00 C ATOM 877 C SER A 56 -1.444 7.186 4.571 1.00 0.00 C ATOM 878 O SER A 56 -0.438 7.616 5.141 1.00 0.00 O ATOM 879 CB SER A 56 -1.304 6.087 2.276 1.00 0.00 C ATOM 880 OG SER A 56 0.028 6.118 1.783 1.00 0.00 O ATOM 0 H SER A 56 -2.953 4.609 3.360 1.00 0.00 H new ATOM 0 HA SER A 56 -0.410 5.384 4.081 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.857 5.292 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.803 7.025 2.032 1.00 0.00 H new ATOM 0 HG SER A 56 0.015 6.259 0.813 1.00 0.00 H new ATOM 886 N THR A 57 -2.647 7.781 4.679 1.00 0.00 N ATOM 887 CA THR A 57 -2.830 8.998 5.466 1.00 0.00 C ATOM 888 C THR A 57 -2.290 8.718 6.870 1.00 0.00 C ATOM 889 O THR A 57 -1.449 9.443 7.388 1.00 0.00 O ATOM 890 CB THR A 57 -4.312 9.411 5.620 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.944 9.772 4.411 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.444 10.549 6.638 1.00 0.00 C ATOM 0 H THR A 57 -3.496 7.436 4.232 1.00 0.00 H new ATOM 0 HA THR A 57 -2.312 9.806 4.950 1.00 0.00 H new ATOM 0 HB THR A 57 -4.829 8.520 5.976 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.876 10.018 4.590 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.493 10.829 6.736 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.065 10.218 7.605 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.868 11.410 6.298 1.00 0.00 H new ATOM 900 N LYS A 58 -2.795 7.651 7.493 1.00 0.00 N ATOM 901 CA LYS A 58 -2.586 7.338 8.896 1.00 0.00 C ATOM 902 C LYS A 58 -1.177 6.852 9.218 1.00 0.00 C ATOM 903 O LYS A 58 -0.825 6.778 10.395 1.00 0.00 O ATOM 904 CB LYS A 58 -3.591 6.282 9.342 1.00 0.00 C ATOM 905 CG LYS A 58 -5.067 6.656 9.095 1.00 0.00 C ATOM 906 CD LYS A 58 -5.876 6.746 10.389 1.00 0.00 C ATOM 907 CE LYS A 58 -7.329 7.116 10.061 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.944 7.993 11.079 1.00 0.00 N ATOM 0 H LYS A 58 -3.378 6.964 7.014 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.728 8.273 9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.374 5.350 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.451 6.092 10.406 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.113 7.613 8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.521 5.914 8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.843 5.793 10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.440 7.494 11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.362 7.614 9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.919 6.204 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.832 8.387 10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.142 7.442 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.291 8.769 11.309 1.00 0.00 H new ATOM 922 N LEU A 59 -0.347 6.484 8.236 1.00 0.00 N ATOM 923 CA LEU A 59 1.082 6.327 8.485 1.00 0.00 C ATOM 924 C LEU A 59 1.801 7.681 8.468 1.00 0.00 C ATOM 925 O LEU A 59 3.009 7.722 8.700 1.00 0.00 O ATOM 926 CB LEU A 59 1.739 5.371 7.475 1.00 0.00 C ATOM 927 CG LEU A 59 1.439 3.869 7.636 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.456 3.388 9.094 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.113 3.466 7.009 1.00 0.00 C ATOM 0 H LEU A 59 -0.638 6.293 7.277 1.00 0.00 H new ATOM 0 HA LEU A 59 1.181 5.890 9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.431 5.672 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.819 5.509 7.531 1.00 0.00 H new ATOM 0 HG LEU A 59 2.256 3.382 7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.236 2.321 9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.440 3.570 9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.703 3.932 9.665 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.047 2.397 7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.697 4.021 7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.132 3.690 5.943 1.00 0.00 H new ATOM 941 N ASN A 60 1.085 8.779 8.228 1.00 0.00 N ATOM 942 CA ASN A 60 1.577 10.099 7.852 1.00 0.00 C ATOM 943 C ASN A 60 2.388 10.049 6.556 1.00 0.00 C ATOM 944 O ASN A 60 3.314 10.832 6.362 1.00 0.00 O ATOM 945 CB ASN A 60 2.311 10.778 9.016 1.00 0.00 C ATOM 946 CG ASN A 60 2.317 12.294 8.866 1.00 0.00 C ATOM 947 OD1 ASN A 60 1.386 12.897 8.333 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.330 12.943 9.410 1.00 0.00 N ATOM 0 H ASN A 60 0.067 8.765 8.297 1.00 0.00 H new ATOM 0 HA ASN A 60 0.718 10.734 7.635 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.832 10.507 9.957 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.337 10.412 9.063 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.350 13.963 9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.092 12.425 9.847 1.00 0.00 H new ATOM 955 N MET A 61 2.058 9.113 5.657 1.00 0.00 N ATOM 956 CA MET A 61 2.737 8.999 4.362 1.00 0.00 C ATOM 957 C MET A 61 2.207 10.021 3.361 1.00 0.00 C ATOM 958 O MET A 61 2.653 10.011 2.218 1.00 0.00 O ATOM 959 CB MET A 61 2.664 7.554 3.818 1.00 0.00 C ATOM 960 CG MET A 61 3.807 6.739 4.431 1.00 0.00 C ATOM 961 SD MET A 61 3.551 4.955 4.595 1.00 0.00 S ATOM 962 CE MET A 61 3.601 4.506 2.851 1.00 0.00 C ATOM 0 H MET A 61 1.322 8.422 5.804 1.00 0.00 H new ATOM 0 HA MET A 61 3.791 9.229 4.516 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.703 7.104 4.068 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.742 7.555 2.731 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.699 6.899 3.825 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.018 7.143 5.421 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.460 3.430 2.748 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.807 5.029 2.318 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.567 4.787 2.431 1.00 0.00 H new ATOM 972 N LEU A 62 1.284 10.896 3.767 1.00 0.00 N ATOM 973 CA LEU A 62 0.575 11.820 2.903 1.00 0.00 C ATOM 974 C LEU A 62 0.911 13.234 3.354 1.00 0.00 C ATOM 975 O LEU A 62 0.743 13.581 4.528 1.00 0.00 O ATOM 976 CB LEU A 62 -0.937 11.530 2.963 1.00 0.00 C ATOM 977 CG LEU A 62 -1.444 10.510 1.927 1.00 0.00 C ATOM 978 CD1 LEU A 62 -0.571 9.285 1.702 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.913 10.140 2.097 1.00 0.00 C ATOM 0 H LEU A 62 1.005 10.977 4.745 1.00 0.00 H new ATOM 0 HA LEU A 62 0.879 11.704 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.183 11.165 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.477 12.466 2.824 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.356 11.073 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.032 8.642 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.414 9.599 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.468 8.735 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.197 9.418 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.066 9.703 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.527 11.035 1.998 1.00 0.00 H new ATOM 991 N ASP A 63 1.395 14.031 2.409 1.00 0.00 N ATOM 992 CA ASP A 63 1.560 15.482 2.494 1.00 0.00 C ATOM 993 C ASP A 63 0.170 16.125 2.680 1.00 0.00 C ATOM 994 O ASP A 63 -0.839 15.455 2.457 1.00 0.00 O ATOM 995 CB ASP A 63 2.226 15.961 1.190 1.00 0.00 C ATOM 996 CG ASP A 63 3.413 16.903 1.379 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.309 16.578 2.196 1.00 0.00 O ATOM 998 OD2 ASP A 63 3.467 17.929 0.682 1.00 0.00 O ATOM 0 H ASP A 63 1.702 13.663 1.509 1.00 0.00 H new ATOM 0 HA ASP A 63 2.187 15.767 3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.560 15.088 0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.476 16.464 0.580 1.00 0.00 H new ATOM 1003 N PRO A 64 0.049 17.409 3.050 1.00 0.00 N ATOM 1004 CA PRO A 64 -1.206 17.972 3.557 1.00 0.00 C ATOM 1005 C PRO A 64 -2.349 18.075 2.526 1.00 0.00 C ATOM 1006 O PRO A 64 -3.515 18.168 2.915 1.00 0.00 O ATOM 1007 CB PRO A 64 -0.837 19.332 4.167 1.00 0.00 C ATOM 1008 CG PRO A 64 0.535 19.678 3.588 1.00 0.00 C ATOM 1009 CD PRO A 64 1.150 18.336 3.203 1.00 0.00 C ATOM 0 HA PRO A 64 -1.631 17.292 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.575 20.091 3.909 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.802 19.278 5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.444 20.334 2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.152 20.200 4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.718 18.421 2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.843 17.992 3.971 1.00 0.00 H new ATOM 1017 N GLU A 65 -2.049 17.990 1.228 1.00 0.00 N ATOM 1018 CA GLU A 65 -3.050 17.971 0.143 1.00 0.00 C ATOM 1019 C GLU A 65 -3.497 16.546 -0.155 1.00 0.00 C ATOM 1020 O GLU A 65 -4.426 16.307 -0.923 1.00 0.00 O ATOM 1021 CB GLU A 65 -2.440 18.520 -1.149 1.00 0.00 C ATOM 1022 CG GLU A 65 -2.116 20.003 -1.028 1.00 0.00 C ATOM 1023 CD GLU A 65 -3.371 20.891 -1.010 1.00 0.00 C ATOM 1024 OE1 GLU A 65 -3.903 21.149 0.089 1.00 0.00 O ATOM 1025 OE2 GLU A 65 -3.829 21.359 -2.085 1.00 0.00 O ATOM 0 H GLU A 65 -1.089 17.931 0.889 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.893 18.579 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.532 17.967 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.134 18.365 -1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.545 20.171 -0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.479 20.300 -1.861 1.00 0.00 H new ATOM 1032 N GLY A 66 -2.782 15.606 0.437 1.00 0.00 N ATOM 1033 CA GLY A 66 -3.090 14.199 0.445 1.00 0.00 C ATOM 1034 C GLY A 66 -2.292 13.417 -0.588 1.00 0.00 C ATOM 1035 O GLY A 66 -2.701 12.328 -0.994 1.00 0.00 O ATOM 0 H GLY A 66 -1.927 15.822 0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.889 13.793 1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.155 14.063 0.254 1.00 0.00 H new ATOM 1039 N ASN A 67 -1.183 13.966 -1.075 1.00 0.00 N ATOM 1040 CA ASN A 67 -0.314 13.287 -2.034 1.00 0.00 C ATOM 1041 C ASN A 67 0.764 12.526 -1.277 1.00 0.00 C ATOM 1042 O ASN A 67 1.123 12.929 -0.173 1.00 0.00 O ATOM 1043 CB ASN A 67 0.313 14.312 -2.976 1.00 0.00 C ATOM 1044 CG ASN A 67 -0.763 15.104 -3.705 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -1.574 14.532 -4.431 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -0.809 16.410 -3.499 1.00 0.00 N ATOM 0 H ASN A 67 -0.860 14.898 -0.815 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.895 12.583 -2.629 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.950 14.991 -2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.951 13.805 -3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.532 16.972 -3.948 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.121 16.855 -2.891 1.00 0.00 H new ATOM 1053 N LEU A 68 1.309 11.449 -1.851 1.00 0.00 N ATOM 1054 CA LEU A 68 2.291 10.626 -1.143 1.00 0.00 C ATOM 1055 C LEU A 68 3.597 11.397 -0.977 1.00 0.00 C ATOM 1056 O LEU A 68 4.135 11.939 -1.946 1.00 0.00 O ATOM 1057 CB LEU A 68 2.489 9.287 -1.860 1.00 0.00 C ATOM 1058 CG LEU A 68 3.064 8.157 -0.981 1.00 0.00 C ATOM 1059 CD1 LEU A 68 2.840 6.841 -1.714 1.00 0.00 C ATOM 1060 CD2 LEU A 68 4.564 8.254 -0.707 1.00 0.00 C ATOM 0 H LEU A 68 1.089 11.130 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 68 1.919 10.397 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.530 8.962 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.155 9.441 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 68 2.555 8.232 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.237 6.020 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.772 6.691 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.351 6.869 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.875 7.417 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.109 8.224 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.780 9.191 -0.193 1.00 0.00 H new ATOM 1072 N HIS A 69 4.065 11.454 0.262 1.00 0.00 N ATOM 1073 CA HIS A 69 5.266 12.104 0.740 1.00 0.00 C ATOM 1074 C HIS A 69 6.371 11.059 0.793 1.00 0.00 C ATOM 1075 O HIS A 69 6.496 10.303 1.762 1.00 0.00 O ATOM 1076 CB HIS A 69 4.932 12.673 2.118 1.00 0.00 C ATOM 1077 CG HIS A 69 5.965 13.548 2.780 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.332 13.534 2.604 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.685 14.435 3.781 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.867 14.318 3.549 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.908 14.866 4.317 1.00 0.00 N ATOM 0 H HIS A 69 3.562 11.002 1.026 1.00 0.00 H new ATOM 0 HA HIS A 69 5.608 12.914 0.096 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.011 13.249 2.030 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.722 11.837 2.785 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.702 14.747 4.101 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.926 14.487 3.677 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.043 15.473 5.126 1.00 0.00 H new ATOM 1089 N HIS A 70 7.167 10.991 -0.270 1.00 0.00 N ATOM 1090 CA HIS A 70 8.196 9.972 -0.460 1.00 0.00 C ATOM 1091 C HIS A 70 9.217 9.958 0.675 1.00 0.00 C ATOM 1092 O HIS A 70 9.785 8.912 0.995 1.00 0.00 O ATOM 1093 CB HIS A 70 8.885 10.226 -1.795 1.00 0.00 C ATOM 1094 CG HIS A 70 7.892 10.224 -2.928 1.00 0.00 C ATOM 1095 ND1 HIS A 70 7.557 11.309 -3.700 1.00 0.00 N ATOM 1096 CD2 HIS A 70 7.036 9.203 -3.248 1.00 0.00 C ATOM 1097 CE1 HIS A 70 6.518 10.945 -4.469 1.00 0.00 C ATOM 1098 NE2 HIS A 70 6.159 9.670 -4.224 1.00 0.00 N ATOM 0 H HIS A 70 7.114 11.657 -1.041 1.00 0.00 H new ATOM 0 HA HIS A 70 7.719 8.992 -0.457 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.403 11.184 -1.764 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.641 9.460 -1.969 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.041 8.212 -2.819 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.034 11.589 -5.188 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.399 9.152 -4.664 1.00 0.00 H new ATOM 1106 N GLY A 71 9.426 11.111 1.302 1.00 0.00 N ATOM 1107 CA GLY A 71 10.180 11.281 2.522 1.00 0.00 C ATOM 1108 C GLY A 71 9.683 10.412 3.665 1.00 0.00 C ATOM 1109 O GLY A 71 10.428 9.563 4.153 1.00 0.00 O ATOM 0 H GLY A 71 9.052 11.992 0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.227 11.049 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.136 12.327 2.825 1.00 0.00 H new ATOM 1113 N ASN A 72 8.449 10.647 4.124 1.00 0.00 N ATOM 1114 CA ASN A 72 7.875 9.917 5.257 1.00 0.00 C ATOM 1115 C ASN A 72 7.698 8.436 4.886 1.00 0.00 C ATOM 1116 O ASN A 72 7.825 7.544 5.720 1.00 0.00 O ATOM 1117 CB ASN A 72 6.550 10.565 5.697 1.00 0.00 C ATOM 1118 CG ASN A 72 6.243 10.312 7.177 1.00 0.00 C ATOM 1119 OD1 ASN A 72 6.261 9.179 7.652 1.00 0.00 O ATOM 1120 ND2 ASN A 72 5.965 11.356 7.936 1.00 0.00 N ATOM 0 H ASN A 72 7.824 11.345 3.722 1.00 0.00 H new ATOM 0 HA ASN A 72 8.556 9.969 6.107 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.595 11.639 5.516 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.736 10.173 5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.762 11.226 8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.953 12.292 7.531 1.00 0.00 H new ATOM 1127 N ALA A 73 7.465 8.154 3.603 1.00 0.00 N ATOM 1128 CA ALA A 73 7.397 6.803 3.070 1.00 0.00 C ATOM 1129 C ALA A 73 8.742 6.061 3.184 1.00 0.00 C ATOM 1130 O ALA A 73 8.754 4.884 3.545 1.00 0.00 O ATOM 1131 CB ALA A 73 6.883 6.904 1.636 1.00 0.00 C ATOM 0 H ALA A 73 7.316 8.875 2.897 1.00 0.00 H new ATOM 0 HA ALA A 73 6.709 6.197 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.818 5.906 1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.895 7.365 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.568 7.513 1.046 1.00 0.00 H new ATOM 1137 N MET A 74 9.876 6.717 2.916 1.00 0.00 N ATOM 1138 CA MET A 74 11.193 6.132 3.138 1.00 0.00 C ATOM 1139 C MET A 74 11.522 6.037 4.628 1.00 0.00 C ATOM 1140 O MET A 74 12.160 5.069 5.043 1.00 0.00 O ATOM 1141 CB MET A 74 12.256 6.950 2.404 1.00 0.00 C ATOM 1142 CG MET A 74 13.633 6.317 2.612 1.00 0.00 C ATOM 1143 SD MET A 74 14.846 6.626 1.315 1.00 0.00 S ATOM 1144 CE MET A 74 14.175 5.525 0.039 1.00 0.00 C ATOM 0 H MET A 74 9.902 7.665 2.540 1.00 0.00 H new ATOM 0 HA MET A 74 11.185 5.117 2.741 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.023 6.994 1.340 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.258 7.976 2.773 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.039 6.680 3.556 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.504 5.239 2.713 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.960 4.855 -0.313 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.358 4.938 0.458 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.804 6.119 -0.796 1.00 0.00 H new ATOM 1154 N GLU A 75 11.077 6.999 5.442 1.00 0.00 N ATOM 1155 CA GLU A 75 11.223 6.918 6.891 1.00 0.00 C ATOM 1156 C GLU A 75 10.553 5.637 7.386 1.00 0.00 C ATOM 1157 O GLU A 75 11.184 4.876 8.109 1.00 0.00 O ATOM 1158 CB GLU A 75 10.595 8.127 7.585 1.00 0.00 C ATOM 1159 CG GLU A 75 11.440 9.398 7.468 1.00 0.00 C ATOM 1160 CD GLU A 75 12.442 9.566 8.613 1.00 0.00 C ATOM 1161 OE1 GLU A 75 12.046 9.400 9.790 1.00 0.00 O ATOM 1162 OE2 GLU A 75 13.583 10.004 8.341 1.00 0.00 O ATOM 0 H GLU A 75 10.611 7.846 5.116 1.00 0.00 H new ATOM 0 HA GLU A 75 12.286 6.909 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.610 8.313 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.445 7.895 8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.980 9.381 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.779 10.264 7.443 1.00 0.00 H new ATOM 1169 N PHE A 76 9.316 5.365 6.949 1.00 0.00 N ATOM 1170 CA PHE A 76 8.563 4.158 7.275 1.00 0.00 C ATOM 1171 C PHE A 76 9.388 2.896 6.987 1.00 0.00 C ATOM 1172 O PHE A 76 9.444 1.983 7.808 1.00 0.00 O ATOM 1173 CB PHE A 76 7.266 4.118 6.447 1.00 0.00 C ATOM 1174 CG PHE A 76 6.280 3.062 6.894 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.488 3.271 8.038 1.00 0.00 C ATOM 1176 CD2 PHE A 76 6.194 1.845 6.192 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.585 2.275 8.457 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.268 0.868 6.596 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.450 1.089 7.715 1.00 0.00 C ATOM 0 H PHE A 76 8.801 6.001 6.341 1.00 0.00 H new ATOM 0 HA PHE A 76 8.327 4.182 8.339 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.784 5.094 6.499 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.520 3.943 5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.572 4.193 8.594 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.838 1.662 5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.995 2.423 9.350 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.186 -0.056 6.043 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.718 0.349 8.005 1.00 0.00 H new ATOM 1189 N ALA A 77 10.033 2.853 5.822 1.00 0.00 N ATOM 1190 CA ALA A 77 10.847 1.740 5.382 1.00 0.00 C ATOM 1191 C ALA A 77 12.041 1.558 6.320 1.00 0.00 C ATOM 1192 O ALA A 77 12.158 0.516 6.978 1.00 0.00 O ATOM 1193 CB ALA A 77 11.266 1.991 3.938 1.00 0.00 C ATOM 0 H ALA A 77 9.998 3.616 5.146 1.00 0.00 H new ATOM 0 HA ALA A 77 10.283 0.808 5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.881 1.162 3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.378 2.074 3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.839 2.917 3.881 1.00 0.00 H new ATOM 1199 N LYS A 78 12.905 2.575 6.437 1.00 0.00 N ATOM 1200 CA LYS A 78 14.100 2.496 7.265 1.00 0.00 C ATOM 1201 C LYS A 78 13.716 2.230 8.726 1.00 0.00 C ATOM 1202 O LYS A 78 14.456 1.541 9.425 1.00 0.00 O ATOM 1203 CB LYS A 78 14.958 3.774 7.090 1.00 0.00 C ATOM 1204 CG LYS A 78 16.152 3.652 6.113 1.00 0.00 C ATOM 1205 CD LYS A 78 15.930 4.133 4.658 1.00 0.00 C ATOM 1206 CE LYS A 78 17.011 5.105 4.145 1.00 0.00 C ATOM 1207 NZ LYS A 78 16.980 6.440 4.788 1.00 0.00 N ATOM 0 H LYS A 78 12.790 3.469 5.960 1.00 0.00 H new ATOM 0 HA LYS A 78 14.716 1.656 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.310 4.580 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.340 4.069 8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.988 4.213 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.455 2.606 6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.896 3.264 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.957 4.621 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.992 4.658 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.891 5.229 3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.735 7.034 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.058 6.888 4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.125 6.335 5.813 1.00 0.00 H new ATOM 1221 N LYS A 79 12.563 2.708 9.200 1.00 0.00 N ATOM 1222 CA LYS A 79 11.986 2.421 10.514 1.00 0.00 C ATOM 1223 C LYS A 79 11.802 0.916 10.726 1.00 0.00 C ATOM 1224 O LYS A 79 12.223 0.399 11.765 1.00 0.00 O ATOM 1225 CB LYS A 79 10.697 3.245 10.624 1.00 0.00 C ATOM 1226 CG LYS A 79 9.872 3.040 11.891 1.00 0.00 C ATOM 1227 CD LYS A 79 8.789 4.123 11.993 1.00 0.00 C ATOM 1228 CE LYS A 79 7.519 3.826 11.175 1.00 0.00 C ATOM 1229 NZ LYS A 79 6.614 4.998 11.126 1.00 0.00 N ATOM 0 H LYS A 79 11.978 3.337 8.650 1.00 0.00 H new ATOM 0 HA LYS A 79 12.653 2.715 11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.958 4.301 10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.068 3.013 9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.411 2.053 11.879 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.520 3.078 12.767 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.512 4.247 13.040 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.208 5.072 11.660 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.798 3.538 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.993 2.978 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.770 4.761 10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.328 5.257 12.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.108 5.800 10.685 1.00 0.00 H new ATOM 1243 N HIS A 80 11.158 0.211 9.791 1.00 0.00 N ATOM 1244 CA HIS A 80 10.790 -1.187 10.021 1.00 0.00 C ATOM 1245 C HIS A 80 11.989 -2.144 9.989 1.00 0.00 C ATOM 1246 O HIS A 80 11.839 -3.257 10.492 1.00 0.00 O ATOM 1247 CB HIS A 80 9.726 -1.657 9.013 1.00 0.00 C ATOM 1248 CG HIS A 80 8.390 -1.014 9.191 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.163 0.283 9.558 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.189 -1.657 9.147 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.856 0.416 9.769 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.218 -0.745 9.555 1.00 0.00 N ATOM 0 H HIS A 80 10.884 0.580 8.880 1.00 0.00 H new ATOM 0 HA HIS A 80 10.377 -1.218 11.029 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.083 -1.454 8.003 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.611 -2.738 9.100 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.867 1.015 9.653 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.021 -2.682 8.851 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.374 1.334 10.071 1.00 0.00 H new ATOM 1260 N GLY A 81 13.142 -1.759 9.428 1.00 0.00 N ATOM 1261 CA GLY A 81 14.268 -2.673 9.196 1.00 0.00 C ATOM 1262 C GLY A 81 14.527 -2.896 7.702 1.00 0.00 C ATOM 1263 O GLY A 81 15.318 -3.773 7.344 1.00 0.00 O ATOM 0 H GLY A 81 13.321 -0.803 9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.166 -2.268 9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.063 -3.630 9.675 1.00 0.00 H new ATOM 1267 N ALA A 82 13.863 -2.142 6.808 1.00 0.00 N ATOM 1268 CA ALA A 82 14.104 -2.302 5.378 1.00 0.00 C ATOM 1269 C ALA A 82 15.521 -1.840 5.050 1.00 0.00 C ATOM 1270 O ALA A 82 16.171 -1.205 5.885 1.00 0.00 O ATOM 1271 CB ALA A 82 13.050 -1.537 4.588 1.00 0.00 C ATOM 0 H ALA A 82 13.171 -1.433 7.051 1.00 0.00 H new ATOM 0 HA ALA A 82 14.022 -3.351 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.235 -1.660 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.061 -1.924 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.099 -0.479 4.845 1.00 0.00 H new ATOM 1277 N ASP A 83 15.990 -2.164 3.845 1.00 0.00 N ATOM 1278 CA ASP A 83 17.332 -1.804 3.394 1.00 0.00 C ATOM 1279 C ASP A 83 17.249 -0.539 2.539 1.00 0.00 C ATOM 1280 O ASP A 83 16.158 -0.113 2.159 1.00 0.00 O ATOM 1281 CB ASP A 83 18.010 -2.947 2.607 1.00 0.00 C ATOM 1282 CG ASP A 83 17.535 -4.373 2.926 1.00 0.00 C ATOM 1283 OD1 ASP A 83 17.691 -4.858 4.071 1.00 0.00 O ATOM 1284 OD2 ASP A 83 16.979 -5.042 2.020 1.00 0.00 O ATOM 0 H ASP A 83 15.449 -2.684 3.154 1.00 0.00 H new ATOM 0 HA ASP A 83 17.950 -1.620 4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.857 -2.766 1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.084 -2.896 2.788 1.00 0.00 H new ATOM 1289 N GLU A 84 18.387 0.084 2.250 1.00 0.00 N ATOM 1290 CA GLU A 84 18.511 1.350 1.548 1.00 0.00 C ATOM 1291 C GLU A 84 17.961 1.247 0.119 1.00 0.00 C ATOM 1292 O GLU A 84 16.946 1.878 -0.184 1.00 0.00 O ATOM 1293 CB GLU A 84 19.998 1.739 1.606 1.00 0.00 C ATOM 1294 CG GLU A 84 20.231 3.246 1.594 1.00 0.00 C ATOM 1295 CD GLU A 84 20.311 3.852 0.188 1.00 0.00 C ATOM 1296 OE1 GLU A 84 21.437 3.947 -0.361 1.00 0.00 O ATOM 1297 OE2 GLU A 84 19.285 4.350 -0.321 1.00 0.00 O ATOM 0 H GLU A 84 19.293 -0.303 2.514 1.00 0.00 H new ATOM 0 HA GLU A 84 17.914 2.133 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.441 1.318 2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.516 1.292 0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.425 3.733 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.157 3.465 2.126 1.00 0.00 H new ATOM 1304 N THR A 85 18.566 0.404 -0.732 1.00 0.00 N ATOM 1305 CA THR A 85 18.079 0.205 -2.101 1.00 0.00 C ATOM 1306 C THR A 85 16.722 -0.490 -2.087 1.00 0.00 C ATOM 1307 O THR A 85 15.953 -0.327 -3.026 1.00 0.00 O ATOM 1308 CB THR A 85 19.090 -0.612 -2.914 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.283 0.138 -2.984 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.630 -0.990 -4.332 1.00 0.00 C ATOM 0 H THR A 85 19.390 -0.148 -0.495 1.00 0.00 H new ATOM 0 HA THR A 85 17.963 1.181 -2.573 1.00 0.00 H new ATOM 0 HB THR A 85 19.221 -1.564 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.953 -0.360 -3.498 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.412 -1.566 -4.827 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.721 -1.589 -4.272 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.430 -0.084 -4.903 1.00 0.00 H new ATOM 1318 N MET A 86 16.379 -1.226 -1.026 1.00 0.00 N ATOM 1319 CA MET A 86 15.023 -1.716 -0.873 1.00 0.00 C ATOM 1320 C MET A 86 14.094 -0.507 -0.777 1.00 0.00 C ATOM 1321 O MET A 86 13.211 -0.342 -1.601 1.00 0.00 O ATOM 1322 CB MET A 86 14.966 -2.683 0.315 1.00 0.00 C ATOM 1323 CG MET A 86 13.589 -2.775 0.965 1.00 0.00 C ATOM 1324 SD MET A 86 13.424 -4.169 2.118 1.00 0.00 S ATOM 1325 CE MET A 86 11.623 -4.196 2.281 1.00 0.00 C ATOM 0 H MET A 86 17.017 -1.488 -0.275 1.00 0.00 H new ATOM 0 HA MET A 86 14.684 -2.299 -1.729 1.00 0.00 H new ATOM 0 HB2 MET A 86 15.267 -3.675 -0.021 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.692 -2.367 1.065 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.385 -1.847 1.498 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.833 -2.867 0.185 1.00 0.00 H new ATOM 0 HE1 MET A 86 11.351 -4.090 3.331 1.00 0.00 H new ATOM 0 HE2 MET A 86 11.194 -3.372 1.710 1.00 0.00 H new ATOM 0 HE3 MET A 86 11.237 -5.141 1.900 1.00 0.00 H new ATOM 1335 N ALA A 87 14.281 0.394 0.173 1.00 0.00 N ATOM 1336 CA ALA A 87 13.391 1.531 0.319 1.00 0.00 C ATOM 1337 C ALA A 87 13.387 2.429 -0.913 1.00 0.00 C ATOM 1338 O ALA A 87 12.317 2.919 -1.274 1.00 0.00 O ATOM 1339 CB ALA A 87 13.704 2.212 1.629 1.00 0.00 C ATOM 0 H ALA A 87 15.040 0.359 0.853 1.00 0.00 H new ATOM 0 HA ALA A 87 12.352 1.205 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.045 3.071 1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.552 1.510 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.741 2.547 1.626 1.00 0.00 H new ATOM 1345 N GLN A 88 14.524 2.612 -1.584 1.00 0.00 N ATOM 1346 CA GLN A 88 14.545 3.366 -2.822 1.00 0.00 C ATOM 1347 C GLN A 88 13.921 2.581 -3.987 1.00 0.00 C ATOM 1348 O GLN A 88 13.417 3.225 -4.900 1.00 0.00 O ATOM 1349 CB GLN A 88 15.963 3.887 -3.098 1.00 0.00 C ATOM 1350 CG GLN A 88 15.992 4.972 -4.187 1.00 0.00 C ATOM 1351 CD GLN A 88 15.028 6.129 -3.921 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.135 6.819 -2.913 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.065 6.373 -4.795 1.00 0.00 N ATOM 0 H GLN A 88 15.431 2.250 -1.289 1.00 0.00 H new ATOM 0 HA GLN A 88 13.907 4.243 -2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.384 4.290 -2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.599 3.056 -3.402 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.005 5.365 -4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.747 4.518 -5.147 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.979 5.797 -5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.409 7.137 -4.631 1.00 0.00 H new ATOM 1362 N GLN A 89 13.837 1.247 -3.940 1.00 0.00 N ATOM 1363 CA GLN A 89 13.026 0.434 -4.837 1.00 0.00 C ATOM 1364 C GLN A 89 11.553 0.741 -4.594 1.00 0.00 C ATOM 1365 O GLN A 89 10.882 1.184 -5.522 1.00 0.00 O ATOM 1366 CB GLN A 89 13.338 -1.060 -4.669 1.00 0.00 C ATOM 1367 CG GLN A 89 14.481 -1.484 -5.586 1.00 0.00 C ATOM 1368 CD GLN A 89 14.052 -1.772 -7.014 1.00 0.00 C ATOM 1369 OE1 GLN A 89 13.034 -1.305 -7.498 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.837 -2.554 -7.728 1.00 0.00 N ATOM 0 H GLN A 89 14.349 0.692 -3.254 1.00 0.00 H new ATOM 0 HA GLN A 89 13.267 0.684 -5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.603 -1.266 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.449 -1.649 -4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.236 -0.698 -5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.954 -2.375 -5.173 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.686 -2.939 -7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.596 -2.774 -8.694 1.00 0.00 H new ATOM 1379 N LEU A 90 11.024 0.550 -3.371 1.00 0.00 N ATOM 1380 CA LEU A 90 9.628 0.839 -3.110 1.00 0.00 C ATOM 1381 C LEU A 90 9.266 2.272 -3.472 1.00 0.00 C ATOM 1382 O LEU A 90 8.188 2.473 -4.025 1.00 0.00 O ATOM 1383 CB LEU A 90 9.271 0.562 -1.648 1.00 0.00 C ATOM 1384 CG LEU A 90 9.352 -0.898 -1.173 1.00 0.00 C ATOM 1385 CD1 LEU A 90 8.869 -1.962 -2.162 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.690 -1.291 -0.582 1.00 0.00 C ATOM 0 H LEU A 90 11.546 0.201 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 90 9.045 0.174 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.931 1.160 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.256 0.919 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 90 8.617 -0.891 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.975 -2.950 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.821 -1.784 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.466 -1.910 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.659 -2.336 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.472 -1.157 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.904 -0.664 0.283 1.00 0.00 H new ATOM 1398 N ILE A 91 10.108 3.263 -3.168 1.00 0.00 N ATOM 1399 CA ILE A 91 9.804 4.629 -3.559 1.00 0.00 C ATOM 1400 C ILE A 91 10.049 4.837 -5.057 1.00 0.00 C ATOM 1401 O ILE A 91 9.347 5.672 -5.620 1.00 0.00 O ATOM 1402 CB ILE A 91 10.474 5.665 -2.616 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.638 5.816 -1.319 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.548 7.066 -3.255 1.00 0.00 C ATOM 1405 CD1 ILE A 91 9.859 4.724 -0.269 1.00 0.00 C ATOM 0 H ILE A 91 10.986 3.143 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 91 8.738 4.812 -3.424 1.00 0.00 H new ATOM 0 HB ILE A 91 11.479 5.296 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.867 6.782 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.582 5.832 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.024 7.758 -2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.132 7.016 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.541 7.416 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.229 4.921 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.600 3.754 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.905 4.719 0.036 1.00 0.00 H new ATOM 1417 N ASP A 92 10.948 4.125 -5.743 1.00 0.00 N ATOM 1418 CA ASP A 92 11.071 4.304 -7.190 1.00 0.00 C ATOM 1419 C ASP A 92 9.782 3.877 -7.875 1.00 0.00 C ATOM 1420 O ASP A 92 9.220 4.652 -8.657 1.00 0.00 O ATOM 1421 CB ASP A 92 12.241 3.561 -7.843 1.00 0.00 C ATOM 1422 CG ASP A 92 12.344 4.008 -9.306 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.678 5.200 -9.514 1.00 0.00 O ATOM 1424 OD2 ASP A 92 12.075 3.209 -10.228 1.00 0.00 O ATOM 0 H ASP A 92 11.583 3.439 -5.334 1.00 0.00 H new ATOM 0 HA ASP A 92 11.272 5.367 -7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.169 3.777 -7.314 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.085 2.484 -7.786 1.00 0.00 H new ATOM 1429 N ILE A 93 9.313 2.674 -7.526 1.00 0.00 N ATOM 1430 CA ILE A 93 8.176 2.009 -8.133 1.00 0.00 C ATOM 1431 C ILE A 93 6.915 2.800 -7.784 1.00 0.00 C ATOM 1432 O ILE A 93 6.127 3.119 -8.675 1.00 0.00 O ATOM 1433 CB ILE A 93 8.121 0.538 -7.646 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.390 -0.272 -8.022 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.896 -0.168 -8.250 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.649 -1.484 -7.114 1.00 0.00 C ATOM 0 H ILE A 93 9.739 2.122 -6.781 1.00 0.00 H new ATOM 0 HA ILE A 93 8.262 1.978 -9.219 1.00 0.00 H new ATOM 0 HB ILE A 93 8.056 0.575 -6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.297 -0.616 -9.052 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.255 0.389 -7.984 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.864 -1.201 -7.904 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.988 0.348 -7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.966 -0.152 -9.338 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.553 -1.997 -7.442 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.776 -1.147 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.802 -2.168 -7.170 1.00 0.00 H new ATOM 1448 N VAL A 94 6.714 3.126 -6.501 1.00 0.00 N ATOM 1449 CA VAL A 94 5.532 3.858 -6.072 1.00 0.00 C ATOM 1450 C VAL A 94 5.539 5.250 -6.684 1.00 0.00 C ATOM 1451 O VAL A 94 4.538 5.618 -7.292 1.00 0.00 O ATOM 1452 CB VAL A 94 5.416 3.892 -4.538 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.339 4.867 -4.069 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.025 2.505 -4.023 1.00 0.00 C ATOM 0 H VAL A 94 7.359 2.891 -5.747 1.00 0.00 H new ATOM 0 HA VAL A 94 4.644 3.338 -6.431 1.00 0.00 H new ATOM 0 HB VAL A 94 6.385 4.209 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.291 4.860 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.582 5.872 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.374 4.567 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.943 2.530 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.066 2.214 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.787 1.781 -4.313 1.00 0.00 H new ATOM 1464 N HIS A 95 6.631 6.016 -6.548 1.00 0.00 N ATOM 1465 CA HIS A 95 6.683 7.377 -7.067 1.00 0.00 C ATOM 1466 C HIS A 95 6.365 7.333 -8.578 1.00 0.00 C ATOM 1467 O HIS A 95 5.713 8.230 -9.107 1.00 0.00 O ATOM 1468 CB HIS A 95 8.063 7.999 -6.824 1.00 0.00 C ATOM 1469 CG HIS A 95 8.224 9.476 -7.093 1.00 0.00 C ATOM 1470 ND1 HIS A 95 9.383 10.182 -6.855 1.00 0.00 N ATOM 1471 CD2 HIS A 95 7.259 10.380 -7.453 1.00 0.00 C ATOM 1472 CE1 HIS A 95 9.121 11.483 -7.056 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.849 11.647 -7.456 1.00 0.00 N ATOM 0 H HIS A 95 7.486 5.710 -6.083 1.00 0.00 H new ATOM 0 HA HIS A 95 5.950 7.997 -6.551 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.335 7.816 -5.785 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.785 7.465 -7.442 1.00 0.00 H new ATOM 0 HD2 HIS A 95 6.230 10.154 -7.691 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.832 12.284 -6.916 1.00 0.00 H new ATOM 0 HE2 HIS A 95 7.400 12.526 -7.712 1.00 0.00 H new ATOM 1481 N GLY A 96 6.810 6.279 -9.277 1.00 0.00 N ATOM 1482 CA GLY A 96 6.506 5.988 -10.668 1.00 0.00 C ATOM 1483 C GLY A 96 5.011 5.797 -10.898 1.00 0.00 C ATOM 1484 O GLY A 96 4.381 6.648 -11.528 1.00 0.00 O ATOM 0 H GLY A 96 7.421 5.578 -8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.868 6.802 -11.296 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.038 5.087 -10.975 1.00 0.00 H new ATOM 1488 N CYS A 97 4.441 4.706 -10.371 1.00 0.00 N ATOM 1489 CA CYS A 97 3.018 4.377 -10.428 1.00 0.00 C ATOM 1490 C CYS A 97 2.155 5.577 -10.065 1.00 0.00 C ATOM 1491 O CYS A 97 1.203 5.800 -10.796 1.00 0.00 O ATOM 1492 CB CYS A 97 2.720 3.168 -9.531 1.00 0.00 C ATOM 1493 SG CYS A 97 3.147 1.518 -10.181 1.00 0.00 S ATOM 0 H CYS A 97 4.985 4.001 -9.873 1.00 0.00 H new ATOM 0 HA CYS A 97 2.765 4.108 -11.454 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.251 3.307 -8.590 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.655 3.174 -9.300 1.00 0.00 H new ATOM 1498 N GLU A 98 2.473 6.396 -9.058 1.00 0.00 N ATOM 1499 CA GLU A 98 1.679 7.574 -8.678 1.00 0.00 C ATOM 1500 C GLU A 98 1.360 8.482 -9.882 1.00 0.00 C ATOM 1501 O GLU A 98 0.309 9.129 -9.906 1.00 0.00 O ATOM 1502 CB GLU A 98 2.417 8.381 -7.589 1.00 0.00 C ATOM 1503 CG GLU A 98 2.498 7.675 -6.219 1.00 0.00 C ATOM 1504 CD GLU A 98 1.685 8.314 -5.090 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.687 9.570 -4.967 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.051 7.546 -4.335 1.00 0.00 O ATOM 0 H GLU A 98 3.299 6.260 -8.475 1.00 0.00 H new ATOM 0 HA GLU A 98 0.729 7.210 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.428 8.595 -7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.915 9.340 -7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.165 6.644 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.543 7.638 -5.912 1.00 0.00 H new ATOM 1513 N LYS A 99 2.231 8.498 -10.898 1.00 0.00 N ATOM 1514 CA LYS A 99 2.045 9.213 -12.157 1.00 0.00 C ATOM 1515 C LYS A 99 1.593 8.238 -13.234 1.00 0.00 C ATOM 1516 O LYS A 99 0.534 8.443 -13.821 1.00 0.00 O ATOM 1517 CB LYS A 99 3.335 9.927 -12.605 1.00 0.00 C ATOM 1518 CG LYS A 99 3.632 11.210 -11.814 1.00 0.00 C ATOM 1519 CD LYS A 99 4.373 11.034 -10.483 1.00 0.00 C ATOM 1520 CE LYS A 99 5.899 11.034 -10.633 1.00 0.00 C ATOM 1521 NZ LYS A 99 6.463 9.802 -11.219 1.00 0.00 N ATOM 0 H LYS A 99 3.116 7.993 -10.860 1.00 0.00 H new ATOM 0 HA LYS A 99 1.282 9.976 -12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.176 9.241 -12.499 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.256 10.173 -13.664 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.221 11.873 -12.448 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.687 11.715 -11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.082 11.836 -9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.060 10.097 -10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.189 11.881 -11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.347 11.191 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.501 9.832 -11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.110 8.975 -10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.176 9.729 -12.216 1.00 0.00 H new ATOM 1535 N SER A 100 2.390 7.205 -13.515 1.00 0.00 N ATOM 1536 CA SER A 100 2.223 6.323 -14.663 1.00 0.00 C ATOM 1537 C SER A 100 0.862 5.625 -14.666 1.00 0.00 C ATOM 1538 O SER A 100 0.239 5.484 -15.721 1.00 0.00 O ATOM 1539 CB SER A 100 3.370 5.298 -14.688 1.00 0.00 C ATOM 1540 OG SER A 100 4.003 5.317 -15.954 1.00 0.00 O ATOM 0 H SER A 100 3.189 6.956 -12.933 1.00 0.00 H new ATOM 0 HA SER A 100 2.258 6.931 -15.567 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.093 5.529 -13.906 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.983 4.301 -14.480 1.00 0.00 H new ATOM 0 HG SER A 100 4.734 4.664 -15.964 1.00 0.00 H new ATOM 1546 N THR A 101 0.362 5.222 -13.501 1.00 0.00 N ATOM 1547 CA THR A 101 -0.962 4.646 -13.368 1.00 0.00 C ATOM 1548 C THR A 101 -2.010 5.678 -13.820 1.00 0.00 C ATOM 1549 O THR A 101 -2.153 6.724 -13.185 1.00 0.00 O ATOM 1550 CB THR A 101 -1.142 4.220 -11.911 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.333 3.091 -11.668 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.573 3.831 -11.570 1.00 0.00 C ATOM 0 H THR A 101 0.872 5.289 -12.620 1.00 0.00 H new ATOM 0 HA THR A 101 -1.089 3.767 -14.000 1.00 0.00 H new ATOM 0 HB THR A 101 -0.867 5.078 -11.297 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.523 3.378 -11.287 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.631 3.539 -10.521 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.233 4.680 -11.747 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.882 2.994 -12.197 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.745 5.409 -14.911 1.00 0.00 N ATOM 1561 CA PRO A 102 -3.814 6.279 -15.353 1.00 0.00 C ATOM 1562 C PRO A 102 -4.991 6.064 -14.415 1.00 0.00 C ATOM 1563 O PRO A 102 -5.326 4.926 -14.063 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.104 5.853 -16.790 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.806 4.355 -16.777 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.755 4.175 -15.684 1.00 0.00 C ATOM 0 HA PRO A 102 -3.579 7.343 -15.333 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.138 6.055 -17.069 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.472 6.383 -17.502 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.704 3.775 -16.562 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.433 4.018 -17.744 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.997 3.322 -15.050 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.774 3.981 -16.118 1.00 0.00 H new ATOM 1574 N ALA A 103 -5.637 7.150 -14.019 1.00 0.00 N ATOM 1575 CA ALA A 103 -6.759 7.110 -13.105 1.00 0.00 C ATOM 1576 C ALA A 103 -7.771 8.195 -13.444 1.00 0.00 C ATOM 1577 O ALA A 103 -7.624 8.931 -14.424 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.236 7.235 -11.673 1.00 0.00 C ATOM 0 H ALA A 103 -5.392 8.091 -14.328 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.282 6.158 -13.200 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.073 7.206 -10.976 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.558 6.409 -11.460 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.704 8.179 -11.561 1.00 0.00 H new ATOM 1584 N ASN A 104 -8.794 8.264 -12.608 1.00 0.00 N ATOM 1585 CA ASN A 104 -9.702 9.382 -12.472 1.00 0.00 C ATOM 1586 C ASN A 104 -9.584 9.892 -11.041 1.00 0.00 C ATOM 1587 O ASN A 104 -8.896 9.290 -10.213 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.131 9.018 -12.871 1.00 0.00 C ATOM 1589 CG ASN A 104 -11.796 8.264 -11.761 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.669 8.786 -11.084 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -11.346 7.061 -11.488 1.00 0.00 N ATOM 0 H ASN A 104 -9.022 7.498 -11.974 1.00 0.00 H new ATOM 0 HA ASN A 104 -9.430 10.181 -13.162 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -11.696 9.922 -13.097 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -11.121 8.413 -13.778 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.726 6.542 -10.696 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -10.617 6.646 -12.068 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.297 10.973 -10.750 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.184 11.708 -9.496 1.00 0.00 C ATOM 1600 C ASP A 105 -10.724 10.918 -8.300 1.00 0.00 C ATOM 1601 O ASP A 105 -10.690 11.403 -7.169 1.00 0.00 O ATOM 1602 CB ASP A 105 -10.900 13.059 -9.626 1.00 0.00 C ATOM 1603 CG ASP A 105 -10.022 14.239 -9.212 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -9.193 14.114 -8.284 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -10.123 15.295 -9.885 1.00 0.00 O ATOM 0 H ASP A 105 -10.983 11.371 -11.391 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.124 11.873 -9.302 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.221 13.196 -10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.800 13.048 -9.011 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.278 9.721 -8.521 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.568 8.770 -7.479 1.00 0.00 C ATOM 1612 C ASP A 106 -10.224 8.273 -6.948 1.00 0.00 C ATOM 1613 O ASP A 106 -9.625 7.373 -7.535 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.389 7.612 -8.074 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.911 7.763 -7.998 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -14.415 8.221 -6.947 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.629 7.326 -8.932 1.00 0.00 O ATOM 0 H ASP A 106 -11.537 9.394 -9.452 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.149 9.213 -6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.107 7.492 -9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -12.108 6.692 -7.561 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.725 8.834 -5.842 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.489 8.386 -5.211 1.00 0.00 C ATOM 1624 C LYS A 107 -8.566 6.934 -4.789 1.00 0.00 C ATOM 1625 O LYS A 107 -7.524 6.291 -4.732 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.104 9.305 -4.051 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.220 10.440 -4.560 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.750 11.288 -5.716 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.568 12.014 -6.346 1.00 0.00 C ATOM 1630 NZ LYS A 107 -6.960 13.356 -6.832 1.00 0.00 N ATOM 0 H LYS A 107 -10.172 9.614 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.694 8.448 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.001 9.712 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.576 8.737 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.014 11.106 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.267 10.011 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.248 10.659 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.489 12.004 -5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.765 12.110 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.176 11.425 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.218 13.729 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.854 13.287 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.084 13.996 -6.022 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.771 6.390 -4.602 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.921 4.962 -4.442 1.00 0.00 C ATOM 1646 C CYS A 108 -9.303 4.256 -5.645 1.00 0.00 C ATOM 1647 O CYS A 108 -8.461 3.395 -5.437 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.382 4.548 -4.262 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.380 5.474 -3.072 1.00 0.00 S ATOM 0 H CYS A 108 -10.642 6.919 -4.560 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.401 4.665 -3.531 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.871 4.615 -5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.399 3.498 -3.968 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.696 4.612 -6.877 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.257 3.999 -8.117 1.00 0.00 C ATOM 1656 C ILE A 109 -7.780 4.286 -8.375 1.00 0.00 C ATOM 1657 O ILE A 109 -7.046 3.350 -8.692 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.178 4.507 -9.233 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.623 4.027 -8.980 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.691 4.125 -10.640 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -11.844 2.508 -9.027 1.00 0.00 C ATOM 0 H ILE A 109 -10.359 5.371 -7.031 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.331 2.913 -8.068 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.155 5.596 -9.204 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.940 4.391 -8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.274 4.492 -9.720 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.386 4.514 -11.384 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.702 4.550 -10.811 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.639 3.040 -10.725 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -12.894 2.287 -8.836 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -11.567 2.130 -10.011 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.228 2.027 -8.267 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.338 5.545 -8.252 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.951 5.913 -8.373 1.00 0.00 C ATOM 1675 C TRP A 110 -5.073 5.022 -7.483 1.00 0.00 C ATOM 1676 O TRP A 110 -4.233 4.287 -8.009 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.805 7.430 -8.147 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.396 7.863 -8.143 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.560 7.799 -9.190 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.611 8.268 -7.007 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.302 8.218 -8.796 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.273 8.472 -7.439 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.910 8.440 -5.648 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.271 8.857 -6.543 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.905 8.787 -4.737 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.584 8.976 -5.176 1.00 0.00 C ATOM 0 H TRP A 110 -7.955 6.335 -8.063 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.582 5.728 -9.382 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.345 7.965 -8.928 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.268 7.700 -7.198 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -3.827 7.472 -10.184 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.504 8.325 -9.423 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.924 8.304 -5.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.270 9.060 -6.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.147 8.910 -3.692 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.808 9.213 -4.464 1.00 0.00 H new ATOM 1697 N THR A 111 -5.276 5.013 -6.167 1.00 0.00 N ATOM 1698 CA THR A 111 -4.454 4.228 -5.257 1.00 0.00 C ATOM 1699 C THR A 111 -4.612 2.715 -5.519 1.00 0.00 C ATOM 1700 O THR A 111 -3.634 1.974 -5.367 1.00 0.00 O ATOM 1701 CB THR A 111 -4.781 4.658 -3.816 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.651 6.060 -3.720 1.00 0.00 O ATOM 1703 CG2 THR A 111 -3.852 4.005 -2.794 1.00 0.00 C ATOM 0 H THR A 111 -6.012 5.548 -5.706 1.00 0.00 H new ATOM 0 HA THR A 111 -3.395 4.423 -5.428 1.00 0.00 H new ATOM 0 HB THR A 111 -5.799 4.338 -3.594 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.256 6.409 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.121 4.339 -1.792 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.950 2.921 -2.854 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.821 4.289 -3.006 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.788 2.244 -5.972 1.00 0.00 N ATOM 1712 CA LEU A 112 -6.018 0.862 -6.434 1.00 0.00 C ATOM 1713 C LEU A 112 -4.993 0.488 -7.505 1.00 0.00 C ATOM 1714 O LEU A 112 -4.283 -0.515 -7.391 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.441 0.708 -7.014 1.00 0.00 C ATOM 1716 CG LEU A 112 -8.249 -0.540 -6.652 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -9.617 -0.428 -7.336 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -7.610 -1.837 -7.121 1.00 0.00 C ATOM 0 H LEU A 112 -6.624 2.826 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.911 0.197 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.020 1.578 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.362 0.747 -8.100 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.311 -0.579 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.217 -1.306 -7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.128 0.468 -6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.480 -0.367 -8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.238 -2.679 -6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.507 -1.820 -8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.626 -1.944 -6.665 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.923 1.307 -8.556 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.063 1.076 -9.697 1.00 0.00 C ATOM 1732 C GLY A 113 -2.600 1.102 -9.280 1.00 0.00 C ATOM 1733 O GLY A 113 -1.851 0.206 -9.675 1.00 0.00 O ATOM 0 H GLY A 113 -5.475 2.161 -8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.301 0.113 -10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.244 1.838 -10.456 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.211 2.093 -8.466 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.849 2.239 -7.964 1.00 0.00 C ATOM 1739 C VAL A 114 -0.450 0.973 -7.204 1.00 0.00 C ATOM 1740 O VAL A 114 0.619 0.418 -7.456 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.719 3.526 -7.114 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.647 3.678 -6.427 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.926 4.788 -7.968 1.00 0.00 C ATOM 0 H VAL A 114 -2.845 2.821 -8.137 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.152 2.353 -8.795 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.494 3.424 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.663 4.603 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.816 2.832 -5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.433 3.708 -7.182 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.828 5.673 -7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.176 4.819 -8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.921 4.767 -8.413 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.308 0.477 -6.308 1.00 0.00 N ATOM 1754 CA ALA A 115 -1.013 -0.733 -5.561 1.00 0.00 C ATOM 1755 C ALA A 115 -0.901 -1.940 -6.494 1.00 0.00 C ATOM 1756 O ALA A 115 -0.035 -2.786 -6.290 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.107 -0.967 -4.515 1.00 0.00 C ATOM 0 H ALA A 115 -2.210 0.900 -6.088 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.053 -0.609 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.886 -1.875 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.145 -0.119 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.070 -1.074 -5.014 1.00 0.00 H new ATOM 1763 N THR A 116 -1.760 -2.040 -7.509 1.00 0.00 N ATOM 1764 CA THR A 116 -1.825 -3.217 -8.357 1.00 0.00 C ATOM 1765 C THR A 116 -0.612 -3.319 -9.302 1.00 0.00 C ATOM 1766 O THR A 116 -0.174 -4.447 -9.562 1.00 0.00 O ATOM 1767 CB THR A 116 -3.185 -3.238 -9.076 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.228 -3.113 -8.127 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.426 -4.558 -9.809 1.00 0.00 C ATOM 0 H THR A 116 -2.425 -1.308 -7.761 1.00 0.00 H new ATOM 0 HA THR A 116 -1.761 -4.117 -7.745 1.00 0.00 H new ATOM 0 HB THR A 116 -3.174 -2.414 -9.789 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.350 -2.168 -7.898 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.398 -4.528 -10.302 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.645 -4.708 -10.555 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.407 -5.380 -9.094 1.00 0.00 H new ATOM 1777 N CYS A 117 -0.034 -2.207 -9.797 1.00 0.00 N ATOM 1778 CA CYS A 117 1.238 -2.277 -10.532 1.00 0.00 C ATOM 1779 C CYS A 117 2.339 -2.687 -9.560 1.00 0.00 C ATOM 1780 O CYS A 117 3.002 -3.703 -9.759 1.00 0.00 O ATOM 1781 CB CYS A 117 1.588 -0.980 -11.287 1.00 0.00 C ATOM 1782 SG CYS A 117 1.332 0.606 -10.442 1.00 0.00 S ATOM 0 H CYS A 117 -0.421 -1.268 -9.703 1.00 0.00 H new ATOM 0 HA CYS A 117 1.136 -3.028 -11.315 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.638 -1.037 -11.576 1.00 0.00 H new ATOM 0 HB3 CYS A 117 1.005 -0.964 -12.208 1.00 0.00 H new ATOM 1787 N PHE A 118 2.463 -1.938 -8.466 1.00 0.00 N ATOM 1788 CA PHE A 118 3.468 -2.131 -7.436 1.00 0.00 C ATOM 1789 C PHE A 118 3.507 -3.568 -6.923 1.00 0.00 C ATOM 1790 O PHE A 118 4.583 -4.151 -6.897 1.00 0.00 O ATOM 1791 CB PHE A 118 3.173 -1.109 -6.345 1.00 0.00 C ATOM 1792 CG PHE A 118 3.962 -1.207 -5.061 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.282 -0.731 -5.014 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.335 -1.661 -3.885 1.00 0.00 C ATOM 1795 CE1 PHE A 118 5.954 -0.650 -3.788 1.00 0.00 C ATOM 1796 CE2 PHE A 118 4.018 -1.600 -2.659 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.317 -1.068 -2.605 1.00 0.00 C ATOM 0 H PHE A 118 1.841 -1.153 -8.270 1.00 0.00 H new ATOM 0 HA PHE A 118 4.470 -1.971 -7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.335 -0.116 -6.763 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.115 -1.181 -6.095 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.779 -0.427 -5.923 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.330 -2.056 -3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.963 -0.266 -3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.545 -1.962 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.826 -0.980 -1.657 1.00 0.00 H new ATOM 1807 N LYS A 119 2.364 -4.178 -6.586 1.00 0.00 N ATOM 1808 CA LYS A 119 2.282 -5.554 -6.084 1.00 0.00 C ATOM 1809 C LYS A 119 3.072 -6.508 -6.976 1.00 0.00 C ATOM 1810 O LYS A 119 3.916 -7.247 -6.478 1.00 0.00 O ATOM 1811 CB LYS A 119 0.807 -5.988 -5.943 1.00 0.00 C ATOM 1812 CG LYS A 119 0.646 -7.363 -5.256 1.00 0.00 C ATOM 1813 CD LYS A 119 0.112 -8.474 -6.170 1.00 0.00 C ATOM 1814 CE LYS A 119 -1.378 -8.296 -6.474 1.00 0.00 C ATOM 1815 NZ LYS A 119 -1.869 -9.364 -7.364 1.00 0.00 N ATOM 0 H LYS A 119 1.455 -3.721 -6.656 1.00 0.00 H new ATOM 0 HA LYS A 119 2.735 -5.592 -5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.266 -5.236 -5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.349 -6.026 -6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.613 -7.671 -4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.028 -7.254 -4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 119 0.675 -8.478 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 119 0.273 -9.442 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.946 -8.304 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.544 -7.325 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.854 -9.594 -7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.823 -9.041 -8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.277 -10.211 -7.249 1.00 0.00 H new ATOM 1829 N ALA A 120 2.846 -6.469 -8.288 1.00 0.00 N ATOM 1830 CA ALA A 120 3.515 -7.353 -9.229 1.00 0.00 C ATOM 1831 C ALA A 120 5.039 -7.196 -9.205 1.00 0.00 C ATOM 1832 O ALA A 120 5.745 -8.173 -9.447 1.00 0.00 O ATOM 1833 CB ALA A 120 2.951 -7.090 -10.627 1.00 0.00 C ATOM 0 H ALA A 120 2.191 -5.820 -8.725 1.00 0.00 H new ATOM 0 HA ALA A 120 3.321 -8.385 -8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.442 -7.745 -11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.879 -7.287 -10.630 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.130 -6.050 -10.902 1.00 0.00 H new ATOM 1839 N GLU A 121 5.559 -6.014 -8.883 1.00 0.00 N ATOM 1840 CA GLU A 121 6.991 -5.749 -8.768 1.00 0.00 C ATOM 1841 C GLU A 121 7.565 -6.439 -7.537 1.00 0.00 C ATOM 1842 O GLU A 121 8.637 -7.037 -7.606 1.00 0.00 O ATOM 1843 CB GLU A 121 7.248 -4.237 -8.696 1.00 0.00 C ATOM 1844 CG GLU A 121 6.676 -3.506 -9.917 1.00 0.00 C ATOM 1845 CD GLU A 121 7.481 -3.850 -11.176 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.719 -3.693 -11.167 1.00 0.00 O ATOM 1847 OE2 GLU A 121 6.889 -4.326 -12.174 1.00 0.00 O ATOM 0 H GLU A 121 4.983 -5.195 -8.690 1.00 0.00 H new ATOM 0 HA GLU A 121 7.488 -6.148 -9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.800 -3.834 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.320 -4.053 -8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.632 -3.785 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.698 -2.430 -9.747 1.00 0.00 H new ATOM 1854 N ILE A 122 6.836 -6.407 -6.422 1.00 0.00 N ATOM 1855 CA ILE A 122 7.222 -7.079 -5.177 1.00 0.00 C ATOM 1856 C ILE A 122 7.400 -8.583 -5.450 1.00 0.00 C ATOM 1857 O ILE A 122 8.383 -9.169 -4.994 1.00 0.00 O ATOM 1858 CB ILE A 122 6.207 -6.765 -4.048 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.792 -5.278 -3.981 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.708 -7.152 -2.650 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.939 -4.259 -4.048 1.00 0.00 C ATOM 0 H ILE A 122 5.949 -5.908 -6.355 1.00 0.00 H new ATOM 0 HA ILE A 122 8.180 -6.701 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 122 5.347 -7.377 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.103 -5.076 -4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.241 -5.116 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.948 -6.904 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.909 -8.223 -2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.624 -6.604 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.532 -3.249 -3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.620 -4.422 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.480 -4.381 -4.986 1.00 0.00 H new ATOM 1873 N HIS A 123 6.529 -9.182 -6.274 1.00 0.00 N ATOM 1874 CA HIS A 123 6.642 -10.586 -6.679 1.00 0.00 C ATOM 1875 C HIS A 123 7.919 -10.834 -7.481 1.00 0.00 C ATOM 1876 O HIS A 123 8.569 -11.868 -7.313 1.00 0.00 O ATOM 1877 CB HIS A 123 5.424 -11.035 -7.501 1.00 0.00 C ATOM 1878 CG HIS A 123 4.126 -11.182 -6.747 1.00 0.00 C ATOM 1879 ND1 HIS A 123 3.299 -12.278 -6.815 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.559 -10.295 -5.872 1.00 0.00 C ATOM 1881 CE1 HIS A 123 2.250 -12.048 -6.017 1.00 0.00 C ATOM 1882 NE2 HIS A 123 2.355 -10.848 -5.426 1.00 0.00 N ATOM 0 H HIS A 123 5.724 -8.703 -6.678 1.00 0.00 H new ATOM 0 HA HIS A 123 6.682 -11.175 -5.763 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.272 -10.317 -8.307 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.659 -11.992 -7.967 1.00 0.00 H new ATOM 0 HD1 HIS A 123 3.457 -13.117 -7.374 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.968 -9.340 -5.579 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.430 -12.735 -5.869 1.00 0.00 H new ATOM 1890 N LYS A 124 8.290 -9.906 -8.368 1.00 0.00 N ATOM 1891 CA LYS A 124 9.527 -9.996 -9.151 1.00 0.00 C ATOM 1892 C LYS A 124 10.759 -9.877 -8.248 1.00 0.00 C ATOM 1893 O LYS A 124 11.766 -10.535 -8.494 1.00 0.00 O ATOM 1894 CB LYS A 124 9.531 -8.909 -10.238 1.00 0.00 C ATOM 1895 CG LYS A 124 8.356 -9.079 -11.217 1.00 0.00 C ATOM 1896 CD LYS A 124 8.048 -7.819 -12.038 1.00 0.00 C ATOM 1897 CE LYS A 124 8.729 -7.782 -13.404 1.00 0.00 C ATOM 1898 NZ LYS A 124 8.197 -8.817 -14.311 1.00 0.00 N ATOM 0 H LYS A 124 7.740 -9.069 -8.564 1.00 0.00 H new ATOM 0 HA LYS A 124 9.569 -10.973 -9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.475 -7.926 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.471 -8.948 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.579 -9.900 -11.898 1.00 0.00 H new ATOM 0 HG3 LYS A 124 7.466 -9.363 -10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 124 6.970 -7.745 -12.180 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.355 -6.943 -11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.589 -6.799 -13.853 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.802 -7.925 -13.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.445 -8.579 -15.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.608 -9.740 -14.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.162 -8.863 -14.217 1.00 0.00 H new ATOM 1912 N LEU A 125 10.690 -9.063 -7.192 1.00 0.00 N ATOM 1913 CA LEU A 125 11.723 -8.945 -6.158 1.00 0.00 C ATOM 1914 C LEU A 125 11.692 -10.148 -5.193 1.00 0.00 C ATOM 1915 O LEU A 125 12.637 -10.368 -4.433 1.00 0.00 O ATOM 1916 CB LEU A 125 11.525 -7.612 -5.407 1.00 0.00 C ATOM 1917 CG LEU A 125 11.786 -6.368 -6.291 1.00 0.00 C ATOM 1918 CD1 LEU A 125 11.008 -5.147 -5.792 1.00 0.00 C ATOM 1919 CD2 LEU A 125 13.279 -6.026 -6.352 1.00 0.00 C ATOM 0 H LEU A 125 9.892 -8.450 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 125 12.707 -8.949 -6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.507 -7.568 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.193 -7.585 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 125 11.438 -6.622 -7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.217 -4.294 -6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.940 -5.364 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.313 -4.913 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.426 -5.148 -6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.646 -5.818 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.828 -6.869 -6.772 1.00 0.00 H new ATOM 1931 N ASN A 126 10.639 -10.975 -5.269 1.00 0.00 N ATOM 1932 CA ASN A 126 10.332 -12.140 -4.437 1.00 0.00 C ATOM 1933 C ASN A 126 10.023 -11.763 -2.983 1.00 0.00 C ATOM 1934 O ASN A 126 10.171 -12.581 -2.075 1.00 0.00 O ATOM 1935 CB ASN A 126 11.416 -13.230 -4.571 1.00 0.00 C ATOM 1936 CG ASN A 126 10.932 -14.569 -4.028 1.00 0.00 C ATOM 1937 OD1 ASN A 126 11.393 -15.045 -2.992 1.00 0.00 O ATOM 1938 ND2 ASN A 126 9.954 -15.172 -4.687 1.00 0.00 N ATOM 0 H ASN A 126 9.920 -10.830 -5.977 1.00 0.00 H new ATOM 0 HA ASN A 126 9.408 -12.576 -4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.695 -13.341 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.313 -12.921 -4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 126 9.568 -16.049 -4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.587 -14.759 -5.544 1.00 0.00 H new ATOM 1945 N TRP A 127 9.607 -10.523 -2.711 1.00 0.00 N ATOM 1946 CA TRP A 127 9.362 -10.042 -1.353 1.00 0.00 C ATOM 1947 C TRP A 127 7.983 -10.433 -0.797 1.00 0.00 C ATOM 1948 O TRP A 127 7.454 -9.750 0.085 1.00 0.00 O ATOM 1949 CB TRP A 127 9.669 -8.549 -1.235 1.00 0.00 C ATOM 1950 CG TRP A 127 11.073 -8.085 -1.462 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.193 -8.841 -1.505 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.513 -6.724 -1.744 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.276 -8.042 -1.799 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.917 -6.729 -1.973 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.855 -5.488 -1.883 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.628 -5.582 -2.356 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.556 -4.326 -2.248 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.934 -4.372 -2.512 1.00 0.00 C ATOM 0 H TRP A 127 9.431 -9.823 -3.432 1.00 0.00 H new ATOM 0 HA TRP A 127 10.063 -10.564 -0.702 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.028 -8.023 -1.943 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.372 -8.228 -0.236 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.233 -9.907 -1.335 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.233 -8.386 -1.878 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.791 -5.431 -1.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.693 -5.629 -2.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 11.029 -3.387 -2.326 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.456 -3.483 -2.833 1.00 0.00 H new ATOM 1969 N ALA A 128 7.410 -11.563 -1.232 1.00 0.00 N ATOM 1970 CA ALA A 128 6.345 -12.258 -0.520 1.00 0.00 C ATOM 1971 C ALA A 128 6.611 -13.741 -0.556 1.00 0.00 C ATOM 1972 O ALA A 128 7.021 -14.233 -1.627 1.00 0.00 O ATOM 1973 CB ALA A 128 4.975 -11.974 -1.119 1.00 0.00 C ATOM 0 H ALA A 128 7.682 -12.022 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 128 6.337 -11.894 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.213 -12.513 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.772 -10.904 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.957 -12.301 -2.159 1.00 0.00 H new TER 1979 ALA A 128