USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1069 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 61 MET CE :methyl 155:sc= -0.0223 (180deg=-0.358) USER MOD Set 2.1: A 41 TYR OH : rot 15:sc= -0.503 USER MOD Set 2.2: A 44 LYS NZ :NH3+ 145:sc= 0.025 (180deg=0) USER MOD Set 3.1: A 7 ASN : amide:sc= -0.399 K(o=-1.5,f=-0.42) USER MOD Set 3.2: A 80 HIS : no HD1:sc= -1.12 K(o=-1.5,f=-0.42) USER MOD Set 4.1: A 1 SER OG : rot 150:sc= 0.245 USER MOD Set 4.2: A 5 MET CE :methyl 144:sc= -0.384 (180deg=-0.873) USER MOD Single : A 1 SER N :NH3+ -107:sc= 0.66 (180deg=-0.536) USER MOD Single : A 2 GLN : amide:sc= -0.0896 K(o=-0.09,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ 145:sc= 1.24 (180deg=0.113) USER MOD Single : A 9 SER OG : rot -89:sc= 0.468 USER MOD Single : A 11 ASN : amide:sc= -0.0092 K(o=-0.0092,f=-0.81) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00158) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.16) USER MOD Single : A 23 MET CE :methyl 180:sc= -0.38 (180deg=-0.38) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -102:sc= 0.271 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 34 TYR OH : rot -58:sc= 0.156 USER MOD Single : A 35 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.49) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 48 THR OG1 : rot 164:sc= 1.06 USER MOD Single : A 53 MET CE :methyl -136:sc= 0 (180deg=-0.361) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0375) USER MOD Single : A 60 ASN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.456 K(o=0.46,f=-0.43) USER MOD Single : A 69 HIS : no HD1:sc= -0.42 K(o=-0.42,f=-2.5) USER MOD Single : A 70 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.24) USER MOD Single : A 72 ASN : amide:sc= 0.768 K(o=0.77,f=-1.2) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0652) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -116:sc= -0.824 (180deg=-4.72!) USER MOD Single : A 88 GLN : amide:sc= -0.0712 X(o=-0.071,f=-0.071) USER MOD Single : A 89 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.8!) USER MOD Single : A 95 HIS : no HD1:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 130:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -3.38! K(o=-3.4!,f=-0.1) USER MOD Single : A 107 LYS NZ :NH3+ -138:sc= 1.23 (180deg=0.713) USER MOD Single : A 111 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 116 THR OG1 : rot 61:sc= 0.436 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.038) USER MOD Single : A 124 LYS NZ :NH3+ 154:sc= 0.352 (180deg=0.0652) USER MOD Single : A 126 ASN : amide:sc= -0.0833 X(o=-0.083,f=-0.12) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.493 10.816 -0.578 1.00 0.00 N ATOM 2 CA SER A 1 10.870 11.079 -1.881 1.00 0.00 C ATOM 3 C SER A 1 9.692 12.013 -1.723 1.00 0.00 C ATOM 4 O SER A 1 9.713 13.080 -2.327 1.00 0.00 O ATOM 5 CB SER A 1 10.382 9.840 -2.635 1.00 0.00 C ATOM 6 OG SER A 1 11.354 8.839 -2.867 1.00 0.00 O ATOM 0 H1 SER A 1 12.401 11.320 -0.519 1.00 0.00 H new ATOM 0 H2 SER A 1 10.863 11.147 0.181 1.00 0.00 H new ATOM 0 H3 SER A 1 11.657 9.795 -0.471 1.00 0.00 H new ATOM 0 HA SER A 1 11.671 11.520 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.559 9.398 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.979 10.158 -3.596 1.00 0.00 H new ATOM 0 HG SER A 1 10.920 7.961 -2.892 1.00 0.00 H new ATOM 12 N GLN A 2 8.653 11.600 -0.979 1.00 0.00 N ATOM 13 CA GLN A 2 7.380 12.295 -0.804 1.00 0.00 C ATOM 14 C GLN A 2 6.600 12.443 -2.125 1.00 0.00 C ATOM 15 O GLN A 2 5.608 11.740 -2.325 1.00 0.00 O ATOM 16 CB GLN A 2 7.598 13.591 0.005 1.00 0.00 C ATOM 17 CG GLN A 2 8.071 13.285 1.451 1.00 0.00 C ATOM 18 CD GLN A 2 9.324 14.038 1.919 1.00 0.00 C ATOM 19 OE1 GLN A 2 9.790 14.998 1.315 1.00 0.00 O ATOM 20 NE2 GLN A 2 9.929 13.584 3.008 1.00 0.00 N ATOM 0 H GLN A 2 8.687 10.724 -0.458 1.00 0.00 H new ATOM 0 HA GLN A 2 6.707 11.684 -0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.338 14.214 -0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.670 14.162 0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.255 13.515 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.262 12.215 1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.542 12.786 3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.781 14.033 3.343 1.00 0.00 H new ATOM 29 N GLU A 3 7.057 13.277 -3.056 1.00 0.00 N ATOM 30 CA GLU A 3 6.346 13.622 -4.293 1.00 0.00 C ATOM 31 C GLU A 3 6.316 12.398 -5.177 1.00 0.00 C ATOM 32 O GLU A 3 5.240 11.891 -5.442 1.00 0.00 O ATOM 33 CB GLU A 3 6.988 14.788 -5.063 1.00 0.00 C ATOM 34 CG GLU A 3 6.272 15.101 -6.399 1.00 0.00 C ATOM 35 CD GLU A 3 4.873 15.696 -6.228 1.00 0.00 C ATOM 36 OE1 GLU A 3 3.903 14.923 -6.090 1.00 0.00 O ATOM 37 OE2 GLU A 3 4.779 16.947 -6.253 1.00 0.00 O ATOM 0 H GLU A 3 7.958 13.747 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 3 5.344 13.949 -4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.979 15.679 -4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.033 14.551 -5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.884 15.796 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.197 14.184 -6.983 1.00 0.00 H new ATOM 44 N VAL A 4 7.480 11.881 -5.595 1.00 0.00 N ATOM 45 CA VAL A 4 7.558 10.732 -6.496 1.00 0.00 C ATOM 46 C VAL A 4 6.646 9.612 -5.998 1.00 0.00 C ATOM 47 O VAL A 4 5.938 8.992 -6.781 1.00 0.00 O ATOM 48 CB VAL A 4 9.018 10.257 -6.635 1.00 0.00 C ATOM 49 CG1 VAL A 4 9.114 8.878 -7.309 1.00 0.00 C ATOM 50 CG2 VAL A 4 9.855 11.274 -7.413 1.00 0.00 C ATOM 0 H VAL A 4 8.389 12.249 -5.317 1.00 0.00 H new ATOM 0 HA VAL A 4 7.213 11.029 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 4 9.416 10.167 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.160 8.583 -7.386 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.573 8.143 -6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.677 8.929 -8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.880 10.914 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.434 11.405 -8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.847 12.229 -6.888 1.00 0.00 H new ATOM 60 N MET A 5 6.633 9.377 -4.695 1.00 0.00 N ATOM 61 CA MET A 5 5.848 8.323 -4.101 1.00 0.00 C ATOM 62 C MET A 5 4.348 8.575 -4.190 1.00 0.00 C ATOM 63 O MET A 5 3.612 7.660 -4.565 1.00 0.00 O ATOM 64 CB MET A 5 6.307 8.166 -2.662 1.00 0.00 C ATOM 65 CG MET A 5 7.577 7.293 -2.604 1.00 0.00 C ATOM 66 SD MET A 5 7.568 5.688 -3.465 1.00 0.00 S ATOM 67 CE MET A 5 9.349 5.345 -3.506 1.00 0.00 C ATOM 0 H MET A 5 7.173 9.920 -4.021 1.00 0.00 H new ATOM 0 HA MET A 5 6.009 7.399 -4.657 1.00 0.00 H new ATOM 0 HB2 MET A 5 6.509 9.145 -2.228 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.515 7.710 -2.067 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.402 7.881 -3.007 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.802 7.105 -1.554 1.00 0.00 H new ATOM 0 HE1 MET A 5 9.517 4.275 -3.379 1.00 0.00 H new ATOM 0 HE2 MET A 5 9.759 5.665 -4.464 1.00 0.00 H new ATOM 0 HE3 MET A 5 9.843 5.888 -2.700 1.00 0.00 H new ATOM 77 N LYS A 6 3.870 9.784 -3.883 1.00 0.00 N ATOM 78 CA LYS A 6 2.508 10.188 -4.228 1.00 0.00 C ATOM 79 C LYS A 6 2.292 9.967 -5.722 1.00 0.00 C ATOM 80 O LYS A 6 1.304 9.384 -6.128 1.00 0.00 O ATOM 81 CB LYS A 6 2.271 11.658 -3.804 1.00 0.00 C ATOM 82 CG LYS A 6 1.474 12.505 -4.813 1.00 0.00 C ATOM 83 CD LYS A 6 1.096 13.869 -4.242 1.00 0.00 C ATOM 84 CE LYS A 6 0.736 14.814 -5.386 1.00 0.00 C ATOM 85 NZ LYS A 6 0.024 16.021 -4.924 1.00 0.00 N ATOM 0 H LYS A 6 4.409 10.500 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 6 1.778 9.583 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.744 11.665 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.238 12.133 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.065 12.642 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.570 11.969 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.252 13.769 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.926 14.277 -3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.646 15.111 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.114 14.284 -6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.305 16.835 -5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.002 15.872 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.267 16.208 -3.930 1.00 0.00 H new ATOM 99 N ASN A 7 3.230 10.419 -6.539 1.00 0.00 N ATOM 100 CA ASN A 7 3.056 10.689 -7.971 1.00 0.00 C ATOM 101 C ASN A 7 2.901 9.413 -8.787 1.00 0.00 C ATOM 102 O ASN A 7 2.323 9.390 -9.878 1.00 0.00 O ATOM 103 CB ASN A 7 4.297 11.423 -8.463 1.00 0.00 C ATOM 104 CG ASN A 7 4.204 11.801 -9.927 1.00 0.00 C ATOM 105 OD1 ASN A 7 3.284 12.491 -10.352 1.00 0.00 O ATOM 106 ND2 ASN A 7 5.156 11.352 -10.730 1.00 0.00 N ATOM 0 H ASN A 7 4.177 10.619 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 7 2.148 11.279 -8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.443 12.324 -7.867 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.173 10.793 -8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 7 5.134 11.579 -11.724 1.00 0.00 H new ATOM 0 HD22 ASN A 7 5.912 10.779 -10.354 1.00 0.00 H new ATOM 113 N LEU A 8 3.459 8.338 -8.251 1.00 0.00 N ATOM 114 CA LEU A 8 3.297 6.970 -8.719 1.00 0.00 C ATOM 115 C LEU A 8 1.874 6.431 -8.474 1.00 0.00 C ATOM 116 O LEU A 8 1.612 5.277 -8.807 1.00 0.00 O ATOM 117 CB LEU A 8 4.379 6.049 -8.142 1.00 0.00 C ATOM 118 CG LEU A 8 5.814 6.431 -8.567 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.818 5.837 -7.577 1.00 0.00 C ATOM 120 CD2 LEU A 8 6.172 5.983 -9.981 1.00 0.00 C ATOM 0 H LEU A 8 4.069 8.400 -7.436 1.00 0.00 H new ATOM 0 HA LEU A 8 3.431 6.983 -9.801 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.315 6.066 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.177 5.025 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 8 5.859 7.520 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.830 6.108 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.620 6.228 -6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.720 4.751 -7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.194 6.285 -10.211 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.090 4.898 -10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.488 6.445 -10.693 1.00 0.00 H new ATOM 132 N SER A 9 0.934 7.213 -7.930 1.00 0.00 N ATOM 133 CA SER A 9 -0.507 6.943 -7.885 1.00 0.00 C ATOM 134 C SER A 9 -1.165 6.821 -9.278 1.00 0.00 C ATOM 135 O SER A 9 -2.325 7.202 -9.437 1.00 0.00 O ATOM 136 CB SER A 9 -1.210 8.029 -7.049 1.00 0.00 C ATOM 137 OG SER A 9 -1.082 9.297 -7.668 1.00 0.00 O ATOM 0 H SER A 9 1.172 8.100 -7.485 1.00 0.00 H new ATOM 0 HA SER A 9 -0.628 5.967 -7.416 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.265 7.780 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.778 8.062 -6.049 1.00 0.00 H new ATOM 0 HG SER A 9 -0.259 9.730 -7.359 1.00 0.00 H new ATOM 143 N LEU A 10 -0.451 6.355 -10.309 1.00 0.00 N ATOM 144 CA LEU A 10 -0.911 6.239 -11.675 1.00 0.00 C ATOM 145 C LEU A 10 -1.909 5.077 -11.749 1.00 0.00 C ATOM 146 O LEU A 10 -3.004 5.185 -11.203 1.00 0.00 O ATOM 147 CB LEU A 10 0.291 6.169 -12.639 1.00 0.00 C ATOM 148 CG LEU A 10 1.643 5.689 -12.088 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.584 4.203 -11.738 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.773 5.938 -13.074 1.00 0.00 C ATOM 0 H LEU A 10 0.511 6.035 -10.195 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.457 7.122 -12.007 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.017 5.512 -13.464 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.438 7.164 -13.059 1.00 0.00 H new ATOM 0 HG LEU A 10 1.846 6.265 -11.185 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.551 3.882 -11.350 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.816 4.037 -10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.343 3.628 -12.632 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.712 5.585 -12.648 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.571 5.402 -14.001 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.847 7.006 -13.281 1.00 0.00 H new ATOM 162 N ASN A 11 -1.529 3.903 -12.254 1.00 0.00 N ATOM 163 CA ASN A 11 -2.389 2.726 -12.172 1.00 0.00 C ATOM 164 C ASN A 11 -2.483 2.138 -10.772 1.00 0.00 C ATOM 165 O ASN A 11 -3.268 1.216 -10.600 1.00 0.00 O ATOM 166 CB ASN A 11 -1.978 1.686 -13.212 1.00 0.00 C ATOM 167 CG ASN A 11 -2.122 2.328 -14.575 1.00 0.00 C ATOM 168 OD1 ASN A 11 -3.160 2.901 -14.899 1.00 0.00 O ATOM 169 ND2 ASN A 11 -1.041 2.430 -15.311 1.00 0.00 N ATOM 0 H ASN A 11 -0.636 3.744 -12.721 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.401 3.058 -12.405 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.950 1.363 -13.046 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.607 0.799 -13.137 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.055 2.990 -16.163 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.186 1.949 -15.031 1.00 0.00 H new ATOM 176 N PHE A 12 -1.770 2.689 -9.779 1.00 0.00 N ATOM 177 CA PHE A 12 -1.846 2.254 -8.387 1.00 0.00 C ATOM 178 C PHE A 12 -3.319 2.100 -7.977 1.00 0.00 C ATOM 179 O PHE A 12 -3.748 1.013 -7.626 1.00 0.00 O ATOM 180 CB PHE A 12 -1.110 3.240 -7.466 1.00 0.00 C ATOM 181 CG PHE A 12 -0.851 2.709 -6.064 1.00 0.00 C ATOM 182 CD1 PHE A 12 -1.921 2.457 -5.177 1.00 0.00 C ATOM 183 CD2 PHE A 12 0.471 2.456 -5.644 1.00 0.00 C ATOM 184 CE1 PHE A 12 -1.674 1.937 -3.894 1.00 0.00 C ATOM 185 CE2 PHE A 12 0.717 1.930 -4.362 1.00 0.00 C ATOM 186 CZ PHE A 12 -0.356 1.658 -3.492 1.00 0.00 C ATOM 0 H PHE A 12 -1.118 3.459 -9.928 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.353 1.287 -8.287 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.157 3.505 -7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.695 4.157 -7.393 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.935 2.665 -5.486 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.297 2.666 -6.308 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.496 1.752 -3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.731 1.735 -4.045 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.167 1.235 -2.516 1.00 0.00 H new ATOM 196 N GLY A 13 -4.114 3.172 -8.030 1.00 0.00 N ATOM 197 CA GLY A 13 -5.537 3.113 -7.727 1.00 0.00 C ATOM 198 C GLY A 13 -6.391 2.988 -8.984 1.00 0.00 C ATOM 199 O GLY A 13 -7.468 2.402 -8.919 1.00 0.00 O ATOM 0 H GLY A 13 -3.784 4.103 -8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.732 2.264 -7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.828 4.010 -7.181 1.00 0.00 H new ATOM 203 N LYS A 14 -5.915 3.433 -10.157 1.00 0.00 N ATOM 204 CA LYS A 14 -6.652 3.264 -11.405 1.00 0.00 C ATOM 205 C LYS A 14 -6.872 1.789 -11.752 1.00 0.00 C ATOM 206 O LYS A 14 -7.812 1.469 -12.468 1.00 0.00 O ATOM 207 CB LYS A 14 -5.937 4.013 -12.544 1.00 0.00 C ATOM 208 CG LYS A 14 -6.941 4.832 -13.352 1.00 0.00 C ATOM 209 CD LYS A 14 -6.312 5.471 -14.601 1.00 0.00 C ATOM 210 CE LYS A 14 -7.251 6.438 -15.340 1.00 0.00 C ATOM 211 NZ LYS A 14 -8.577 5.870 -15.656 1.00 0.00 N ATOM 0 H LYS A 14 -5.021 3.913 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.643 3.697 -11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.170 4.669 -12.132 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.431 3.301 -13.195 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.769 4.190 -13.654 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.359 5.615 -12.719 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.409 6.008 -14.308 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.005 4.681 -15.287 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.387 7.332 -14.731 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.773 6.754 -16.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.144 6.576 -16.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.460 5.024 -16.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.062 5.610 -14.774 1.00 0.00 H new ATOM 225 N ALA A 15 -6.026 0.884 -11.253 1.00 0.00 N ATOM 226 CA ALA A 15 -6.208 -0.552 -11.383 1.00 0.00 C ATOM 227 C ALA A 15 -6.722 -1.181 -10.081 1.00 0.00 C ATOM 228 O ALA A 15 -6.854 -2.406 -10.030 1.00 0.00 O ATOM 229 CB ALA A 15 -4.913 -1.198 -11.884 1.00 0.00 C ATOM 0 H ALA A 15 -5.183 1.140 -10.739 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.982 -0.742 -12.126 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.056 -2.274 -11.979 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.650 -0.780 -12.856 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.110 -1.000 -11.174 1.00 0.00 H new ATOM 235 N LEU A 16 -7.067 -0.405 -9.039 1.00 0.00 N ATOM 236 CA LEU A 16 -7.890 -0.951 -7.955 1.00 0.00 C ATOM 237 C LEU A 16 -9.244 -1.335 -8.517 1.00 0.00 C ATOM 238 O LEU A 16 -9.790 -2.347 -8.107 1.00 0.00 O ATOM 239 CB LEU A 16 -8.124 0.040 -6.802 1.00 0.00 C ATOM 240 CG LEU A 16 -8.088 -0.556 -5.387 1.00 0.00 C ATOM 241 CD1 LEU A 16 -6.781 -1.279 -5.068 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.201 0.612 -4.409 1.00 0.00 C ATOM 0 H LEU A 16 -6.797 0.572 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.347 -1.806 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.370 0.824 -6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.093 0.517 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.898 -1.281 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.823 -1.676 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.637 -2.098 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.949 -0.580 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.180 0.234 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.366 1.296 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.138 1.141 -4.581 1.00 0.00 H new ATOM 254 N ASP A 17 -9.760 -0.563 -9.476 1.00 0.00 N ATOM 255 CA ASP A 17 -11.067 -0.754 -10.114 1.00 0.00 C ATOM 256 C ASP A 17 -11.188 -2.162 -10.695 1.00 0.00 C ATOM 257 O ASP A 17 -12.289 -2.706 -10.798 1.00 0.00 O ATOM 258 CB ASP A 17 -11.276 0.245 -11.270 1.00 0.00 C ATOM 259 CG ASP A 17 -10.977 1.719 -10.961 1.00 0.00 C ATOM 260 OD1 ASP A 17 -11.140 2.131 -9.790 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.549 2.468 -11.869 1.00 0.00 O ATOM 0 H ASP A 17 -9.259 0.245 -9.845 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.819 -0.594 -9.341 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.648 -0.063 -12.106 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.311 0.169 -11.604 1.00 0.00 H new ATOM 266 N GLU A 18 -10.055 -2.754 -11.079 1.00 0.00 N ATOM 267 CA GLU A 18 -9.959 -4.101 -11.608 1.00 0.00 C ATOM 268 C GLU A 18 -10.079 -5.099 -10.467 1.00 0.00 C ATOM 269 O GLU A 18 -11.000 -5.908 -10.467 1.00 0.00 O ATOM 270 CB GLU A 18 -8.663 -4.272 -12.386 1.00 0.00 C ATOM 271 CG GLU A 18 -8.765 -3.473 -13.685 1.00 0.00 C ATOM 272 CD GLU A 18 -9.659 -4.149 -14.728 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.883 -3.923 -14.697 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.140 -4.871 -15.621 1.00 0.00 O ATOM 0 H GLU A 18 -9.151 -2.285 -11.025 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.776 -4.286 -12.306 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.817 -3.924 -11.793 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.488 -5.326 -12.603 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.157 -2.480 -13.466 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.767 -3.337 -14.102 1.00 0.00 H new ATOM 281 N CYS A 19 -9.213 -4.996 -9.453 1.00 0.00 N ATOM 282 CA CYS A 19 -9.206 -5.829 -8.265 1.00 0.00 C ATOM 283 C CYS A 19 -10.557 -5.794 -7.553 1.00 0.00 C ATOM 284 O CYS A 19 -11.026 -6.805 -7.040 1.00 0.00 O ATOM 285 CB CYS A 19 -8.114 -5.299 -7.330 1.00 0.00 C ATOM 286 SG CYS A 19 -6.417 -5.499 -7.936 1.00 0.00 S ATOM 0 H CYS A 19 -8.470 -4.297 -9.446 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.012 -6.864 -8.548 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.296 -4.240 -7.149 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.202 -5.807 -6.369 1.00 0.00 H new ATOM 291 N LYS A 20 -11.192 -4.625 -7.525 1.00 0.00 N ATOM 292 CA LYS A 20 -12.493 -4.412 -6.917 1.00 0.00 C ATOM 293 C LYS A 20 -13.535 -5.206 -7.683 1.00 0.00 C ATOM 294 O LYS A 20 -14.282 -5.954 -7.059 1.00 0.00 O ATOM 295 CB LYS A 20 -12.798 -2.913 -6.901 1.00 0.00 C ATOM 296 CG LYS A 20 -12.032 -2.161 -5.814 1.00 0.00 C ATOM 297 CD LYS A 20 -11.855 -0.670 -6.184 1.00 0.00 C ATOM 298 CE LYS A 20 -12.897 0.223 -5.487 1.00 0.00 C ATOM 299 NZ LYS A 20 -13.134 1.464 -6.248 1.00 0.00 N ATOM 0 H LYS A 20 -10.800 -3.779 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.504 -4.762 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.551 -2.487 -7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.868 -2.767 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.565 -2.242 -4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.054 -2.621 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.853 -0.344 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.940 -0.552 -7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.834 -0.324 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.554 0.470 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.841 2.045 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.244 1.996 -6.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.484 1.227 -7.198 1.00 0.00 H new ATOM 313 N LYS A 21 -13.548 -5.104 -9.013 1.00 0.00 N ATOM 314 CA LYS A 21 -14.491 -5.851 -9.845 1.00 0.00 C ATOM 315 C LYS A 21 -14.215 -7.361 -9.847 1.00 0.00 C ATOM 316 O LYS A 21 -15.144 -8.158 -9.995 1.00 0.00 O ATOM 317 CB LYS A 21 -14.436 -5.206 -11.233 1.00 0.00 C ATOM 318 CG LYS A 21 -15.118 -5.967 -12.373 1.00 0.00 C ATOM 319 CD LYS A 21 -14.221 -6.988 -13.090 1.00 0.00 C ATOM 320 CE LYS A 21 -12.948 -6.359 -13.678 1.00 0.00 C ATOM 321 NZ LYS A 21 -13.253 -5.279 -14.642 1.00 0.00 N ATOM 0 H LYS A 21 -12.911 -4.506 -9.540 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.504 -5.790 -9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.888 -4.216 -11.166 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.389 -5.061 -11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.990 -6.486 -11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.483 -5.247 -13.105 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.941 -7.774 -12.388 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.788 -7.463 -13.890 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.335 -5.960 -12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.359 -7.131 -14.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.365 -4.872 -15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.801 -5.667 -15.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.807 -4.537 -14.168 1.00 0.00 H new ATOM 335 N GLU A 22 -12.949 -7.765 -9.745 1.00 0.00 N ATOM 336 CA GLU A 22 -12.506 -9.156 -9.788 1.00 0.00 C ATOM 337 C GLU A 22 -12.844 -9.860 -8.480 1.00 0.00 C ATOM 338 O GLU A 22 -13.356 -10.978 -8.491 1.00 0.00 O ATOM 339 CB GLU A 22 -10.988 -9.196 -10.038 1.00 0.00 C ATOM 340 CG GLU A 22 -10.633 -9.056 -11.532 1.00 0.00 C ATOM 341 CD GLU A 22 -10.084 -10.348 -12.157 1.00 0.00 C ATOM 342 OE1 GLU A 22 -10.455 -11.471 -11.752 1.00 0.00 O ATOM 343 OE2 GLU A 22 -9.219 -10.250 -13.061 1.00 0.00 O ATOM 0 H GLU A 22 -12.177 -7.109 -9.626 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.020 -9.674 -10.597 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.509 -8.393 -9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.585 -10.135 -9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.522 -8.746 -12.081 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.894 -8.263 -11.649 1.00 0.00 H new ATOM 350 N MET A 23 -12.543 -9.231 -7.343 1.00 0.00 N ATOM 351 CA MET A 23 -12.763 -9.830 -6.032 1.00 0.00 C ATOM 352 C MET A 23 -14.175 -9.558 -5.516 1.00 0.00 C ATOM 353 O MET A 23 -14.580 -10.205 -4.555 1.00 0.00 O ATOM 354 CB MET A 23 -11.719 -9.312 -5.040 1.00 0.00 C ATOM 355 CG MET A 23 -10.305 -9.751 -5.424 1.00 0.00 C ATOM 356 SD MET A 23 -9.025 -9.199 -4.267 1.00 0.00 S ATOM 357 CE MET A 23 -7.639 -10.169 -4.909 1.00 0.00 C ATOM 0 H MET A 23 -12.141 -8.294 -7.308 1.00 0.00 H new ATOM 0 HA MET A 23 -12.657 -10.910 -6.133 1.00 0.00 H new ATOM 0 HB2 MET A 23 -11.764 -8.224 -5.000 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.954 -9.677 -4.040 1.00 0.00 H new ATOM 0 HG2 MET A 23 -10.278 -10.839 -5.489 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.073 -9.367 -6.417 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.746 -9.963 -4.318 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.878 -11.231 -4.847 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.456 -9.898 -5.949 1.00 0.00 H new ATOM 367 N THR A 24 -14.917 -8.653 -6.161 1.00 0.00 N ATOM 368 CA THR A 24 -16.153 -8.055 -5.672 1.00 0.00 C ATOM 369 C THR A 24 -15.884 -7.401 -4.307 1.00 0.00 C ATOM 370 O THR A 24 -16.219 -7.965 -3.261 1.00 0.00 O ATOM 371 CB THR A 24 -17.297 -9.094 -5.695 1.00 0.00 C ATOM 372 OG1 THR A 24 -17.406 -9.622 -7.004 1.00 0.00 O ATOM 373 CG2 THR A 24 -18.658 -8.491 -5.333 1.00 0.00 C ATOM 0 H THR A 24 -14.655 -8.304 -7.083 1.00 0.00 H new ATOM 0 HA THR A 24 -16.497 -7.255 -6.327 1.00 0.00 H new ATOM 0 HB THR A 24 -17.050 -9.855 -4.955 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.128 -10.284 -7.031 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.421 -9.269 -5.366 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.614 -8.069 -4.329 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.909 -7.706 -6.046 1.00 0.00 H new ATOM 381 N LEU A 25 -15.246 -6.219 -4.302 1.00 0.00 N ATOM 382 CA LEU A 25 -14.990 -5.437 -3.091 1.00 0.00 C ATOM 383 C LEU A 25 -16.071 -4.359 -2.950 1.00 0.00 C ATOM 384 O LEU A 25 -17.154 -4.510 -3.517 1.00 0.00 O ATOM 385 CB LEU A 25 -13.562 -4.876 -3.117 1.00 0.00 C ATOM 386 CG LEU A 25 -12.490 -5.933 -3.435 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.111 -5.287 -3.420 1.00 0.00 C ATOM 388 CD2 LEU A 25 -12.502 -7.126 -2.474 1.00 0.00 C ATOM 0 H LEU A 25 -14.891 -5.778 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.050 -6.068 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.507 -4.080 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.340 -4.425 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.726 -6.323 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.355 -6.039 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.071 -4.496 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.919 -4.863 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.720 -7.830 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.323 -6.776 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.472 -7.622 -2.521 1.00 0.00 H new ATOM 400 N THR A 26 -15.836 -3.311 -2.160 1.00 0.00 N ATOM 401 CA THR A 26 -16.839 -2.304 -1.829 1.00 0.00 C ATOM 402 C THR A 26 -16.207 -0.908 -1.824 1.00 0.00 C ATOM 403 O THR A 26 -14.991 -0.771 -1.683 1.00 0.00 O ATOM 404 CB THR A 26 -17.450 -2.680 -0.469 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.446 -2.681 0.540 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.190 -4.013 -0.428 1.00 0.00 C ATOM 0 H THR A 26 -14.929 -3.137 -1.727 1.00 0.00 H new ATOM 0 HA THR A 26 -17.633 -2.277 -2.576 1.00 0.00 H new ATOM 0 HB THR A 26 -18.202 -1.912 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.187 -3.604 0.743 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.581 -4.181 0.575 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.015 -3.993 -1.140 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.504 -4.818 -0.690 1.00 0.00 H new ATOM 414 N ASP A 27 -17.010 0.150 -1.905 1.00 0.00 N ATOM 415 CA ASP A 27 -16.567 1.538 -2.059 1.00 0.00 C ATOM 416 C ASP A 27 -16.345 2.198 -0.695 1.00 0.00 C ATOM 417 O ASP A 27 -16.728 3.343 -0.454 1.00 0.00 O ATOM 418 CB ASP A 27 -17.550 2.319 -2.947 1.00 0.00 C ATOM 419 CG ASP A 27 -16.909 3.555 -3.585 1.00 0.00 C ATOM 420 OD1 ASP A 27 -15.684 3.758 -3.451 1.00 0.00 O ATOM 421 OD2 ASP A 27 -17.621 4.220 -4.383 1.00 0.00 O ATOM 0 H ASP A 27 -18.026 0.064 -1.864 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.602 1.548 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -17.926 1.663 -3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.409 2.626 -2.350 1.00 0.00 H new ATOM 426 N ALA A 28 -15.769 1.433 0.235 1.00 0.00 N ATOM 427 CA ALA A 28 -15.282 1.880 1.540 1.00 0.00 C ATOM 428 C ALA A 28 -13.756 1.823 1.612 1.00 0.00 C ATOM 429 O ALA A 28 -13.140 2.498 2.438 1.00 0.00 O ATOM 430 CB ALA A 28 -15.868 1.010 2.649 1.00 0.00 C ATOM 0 H ALA A 28 -15.623 0.434 0.090 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.601 2.914 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.498 1.353 3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.956 1.081 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.570 -0.027 2.494 1.00 0.00 H new ATOM 436 N ILE A 29 -13.144 0.985 0.773 1.00 0.00 N ATOM 437 CA ILE A 29 -11.704 0.786 0.701 1.00 0.00 C ATOM 438 C ILE A 29 -11.007 2.024 0.142 1.00 0.00 C ATOM 439 O ILE A 29 -9.868 2.311 0.508 1.00 0.00 O ATOM 440 CB ILE A 29 -11.412 -0.451 -0.153 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.941 -0.288 -1.604 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.007 -1.689 0.545 1.00 0.00 C ATOM 443 CD1 ILE A 29 -10.844 -0.201 -2.655 1.00 0.00 C ATOM 0 H ILE A 29 -13.658 0.410 0.105 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.311 0.626 1.705 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.333 -0.579 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.591 -1.131 -1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.554 0.612 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.805 -2.577 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.553 -1.805 1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.084 -1.562 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.293 -0.088 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.207 0.659 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.244 -1.111 -2.631 1.00 0.00 H new ATOM 455 N ASN A 30 -11.701 2.771 -0.718 1.00 0.00 N ATOM 456 CA ASN A 30 -11.202 4.056 -1.212 1.00 0.00 C ATOM 457 C ASN A 30 -10.817 4.982 -0.055 1.00 0.00 C ATOM 458 O ASN A 30 -9.747 5.598 -0.090 1.00 0.00 O ATOM 459 CB ASN A 30 -12.178 4.743 -2.170 1.00 0.00 C ATOM 460 CG ASN A 30 -11.365 5.584 -3.143 1.00 0.00 C ATOM 461 OD1 ASN A 30 -10.824 6.633 -2.799 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.208 5.108 -4.362 1.00 0.00 N ATOM 0 H ASN A 30 -12.614 2.507 -1.088 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.303 3.838 -1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.769 4.002 -2.708 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.878 5.369 -1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.631 5.611 -5.036 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.664 4.236 -4.632 1.00 0.00 H new ATOM 469 N GLU A 31 -11.648 5.033 0.991 1.00 0.00 N ATOM 470 CA GLU A 31 -11.359 5.733 2.219 1.00 0.00 C ATOM 471 C GLU A 31 -10.349 4.941 3.058 1.00 0.00 C ATOM 472 O GLU A 31 -9.410 5.545 3.549 1.00 0.00 O ATOM 473 CB GLU A 31 -12.680 5.950 2.966 1.00 0.00 C ATOM 474 CG GLU A 31 -12.490 6.832 4.202 1.00 0.00 C ATOM 475 CD GLU A 31 -12.602 8.337 3.900 1.00 0.00 C ATOM 476 OE1 GLU A 31 -13.699 8.787 3.484 1.00 0.00 O ATOM 477 OE2 GLU A 31 -11.638 9.093 4.153 1.00 0.00 O ATOM 0 H GLU A 31 -12.559 4.573 0.994 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.905 6.702 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.405 6.412 2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.092 4.986 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.235 6.562 4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.512 6.628 4.638 1.00 0.00 H new ATOM 484 N ASP A 32 -10.508 3.621 3.225 1.00 0.00 N ATOM 485 CA ASP A 32 -9.730 2.790 4.171 1.00 0.00 C ATOM 486 C ASP A 32 -8.215 2.927 3.994 1.00 0.00 C ATOM 487 O ASP A 32 -7.447 2.801 4.948 1.00 0.00 O ATOM 488 CB ASP A 32 -10.102 1.309 3.990 1.00 0.00 C ATOM 489 CG ASP A 32 -9.860 0.440 5.229 1.00 0.00 C ATOM 490 OD1 ASP A 32 -10.753 0.441 6.105 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.880 -0.350 5.243 1.00 0.00 O ATOM 0 H ASP A 32 -11.195 3.083 2.697 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.984 3.147 5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.154 1.242 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.528 0.902 3.158 1.00 0.00 H new ATOM 496 N PHE A 33 -7.772 3.179 2.759 1.00 0.00 N ATOM 497 CA PHE A 33 -6.362 3.382 2.421 1.00 0.00 C ATOM 498 C PHE A 33 -5.787 4.647 3.087 1.00 0.00 C ATOM 499 O PHE A 33 -4.565 4.778 3.182 1.00 0.00 O ATOM 500 CB PHE A 33 -6.179 3.475 0.889 1.00 0.00 C ATOM 501 CG PHE A 33 -6.158 2.168 0.102 1.00 0.00 C ATOM 502 CD1 PHE A 33 -7.082 1.142 0.378 1.00 0.00 C ATOM 503 CD2 PHE A 33 -5.262 1.995 -0.980 1.00 0.00 C ATOM 504 CE1 PHE A 33 -7.096 -0.039 -0.375 1.00 0.00 C ATOM 505 CE2 PHE A 33 -5.236 0.782 -1.693 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.136 -0.246 -1.365 1.00 0.00 C ATOM 0 H PHE A 33 -8.394 3.249 1.953 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.815 2.520 2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.983 4.094 0.491 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.245 4.001 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.791 1.268 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.595 2.797 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.850 -0.789 -0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.524 0.641 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.084 -1.195 -1.879 1.00 0.00 H new ATOM 516 N TYR A 34 -6.625 5.582 3.524 1.00 0.00 N ATOM 517 CA TYR A 34 -6.340 6.941 3.964 1.00 0.00 C ATOM 518 C TYR A 34 -6.847 7.068 5.407 1.00 0.00 C ATOM 519 O TYR A 34 -7.721 6.308 5.824 1.00 0.00 O ATOM 520 CB TYR A 34 -7.097 7.870 2.987 1.00 0.00 C ATOM 521 CG TYR A 34 -6.766 9.355 2.936 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.458 9.795 2.649 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.818 10.294 2.974 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.204 11.156 2.378 1.00 0.00 C ATOM 525 CE2 TYR A 34 -7.578 11.645 2.661 1.00 0.00 C ATOM 526 CZ TYR A 34 -6.270 12.085 2.357 1.00 0.00 C ATOM 527 OH TYR A 34 -6.061 13.393 2.022 1.00 0.00 O ATOM 0 H TYR A 34 -7.624 5.384 3.584 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.281 7.201 3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.952 7.471 1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.159 7.783 3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.644 9.085 2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.813 9.974 3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.195 11.489 2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.397 12.349 2.653 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.401 13.785 2.631 1.00 0.00 H new ATOM 537 N ASN A 35 -6.309 8.031 6.169 1.00 0.00 N ATOM 538 CA ASN A 35 -6.706 8.367 7.547 1.00 0.00 C ATOM 539 C ASN A 35 -7.142 7.126 8.350 1.00 0.00 C ATOM 540 O ASN A 35 -8.327 6.953 8.625 1.00 0.00 O ATOM 541 CB ASN A 35 -7.777 9.477 7.506 1.00 0.00 C ATOM 542 CG ASN A 35 -8.461 9.695 8.855 1.00 0.00 C ATOM 543 OD1 ASN A 35 -7.823 9.735 9.906 1.00 0.00 O ATOM 544 ND2 ASN A 35 -9.776 9.850 8.855 1.00 0.00 N ATOM 0 H ASN A 35 -5.552 8.624 5.828 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.840 8.751 8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.314 10.410 7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.530 9.221 6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.271 10.005 9.733 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.294 9.815 7.977 1.00 0.00 H new ATOM 551 N PHE A 36 -6.185 6.239 8.662 1.00 0.00 N ATOM 552 CA PHE A 36 -6.408 4.881 9.173 1.00 0.00 C ATOM 553 C PHE A 36 -7.419 4.884 10.323 1.00 0.00 C ATOM 554 O PHE A 36 -8.583 4.572 10.092 1.00 0.00 O ATOM 555 CB PHE A 36 -5.063 4.230 9.562 1.00 0.00 C ATOM 556 CG PHE A 36 -4.431 3.352 8.493 1.00 0.00 C ATOM 557 CD1 PHE A 36 -4.473 3.705 7.129 1.00 0.00 C ATOM 558 CD2 PHE A 36 -3.814 2.145 8.873 1.00 0.00 C ATOM 559 CE1 PHE A 36 -3.937 2.842 6.159 1.00 0.00 C ATOM 560 CE2 PHE A 36 -3.282 1.280 7.904 1.00 0.00 C ATOM 561 CZ PHE A 36 -3.355 1.623 6.546 1.00 0.00 C ATOM 0 H PHE A 36 -5.194 6.459 8.560 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.846 4.271 8.383 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.358 5.020 9.823 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.215 3.629 10.459 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.919 4.642 6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.749 1.882 9.919 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.972 3.116 5.115 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.817 0.352 8.204 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.964 0.950 5.797 1.00 0.00 H new ATOM 571 N TRP A 37 -6.972 5.254 11.526 1.00 0.00 N ATOM 572 CA TRP A 37 -7.717 5.760 12.676 1.00 0.00 C ATOM 573 C TRP A 37 -6.633 6.156 13.678 1.00 0.00 C ATOM 574 O TRP A 37 -6.271 7.328 13.784 1.00 0.00 O ATOM 575 CB TRP A 37 -8.712 4.743 13.288 1.00 0.00 C ATOM 576 CG TRP A 37 -10.136 4.847 12.840 1.00 0.00 C ATOM 577 CD1 TRP A 37 -10.737 4.062 11.923 1.00 0.00 C ATOM 578 CD2 TRP A 37 -11.162 5.785 13.280 1.00 0.00 C ATOM 579 NE1 TRP A 37 -12.041 4.464 11.744 1.00 0.00 N ATOM 580 CE2 TRP A 37 -12.360 5.528 12.551 1.00 0.00 C ATOM 581 CE3 TRP A 37 -11.201 6.834 14.221 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -13.527 6.285 12.730 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -12.368 7.597 14.415 1.00 0.00 C ATOM 584 CH2 TRP A 37 -13.528 7.331 13.667 1.00 0.00 C ATOM 0 H TRP A 37 -5.976 5.200 11.737 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.360 6.590 12.382 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -8.356 3.738 13.060 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -8.687 4.852 14.372 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -10.265 3.240 11.406 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.691 4.025 11.092 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -10.319 7.056 14.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -14.414 6.066 12.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -12.372 8.393 15.145 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -14.416 7.928 13.812 1.00 0.00 H new ATOM 595 N LYS A 38 -6.100 5.188 14.427 1.00 0.00 N ATOM 596 CA LYS A 38 -5.213 5.396 15.566 1.00 0.00 C ATOM 597 C LYS A 38 -4.273 4.211 15.718 1.00 0.00 C ATOM 598 O LYS A 38 -4.445 3.171 15.089 1.00 0.00 O ATOM 599 CB LYS A 38 -6.016 5.576 16.875 1.00 0.00 C ATOM 600 CG LYS A 38 -7.520 5.411 16.680 1.00 0.00 C ATOM 601 CD LYS A 38 -8.322 5.239 17.938 1.00 0.00 C ATOM 602 CE LYS A 38 -8.277 6.533 18.761 1.00 0.00 C ATOM 603 NZ LYS A 38 -8.785 6.375 20.135 1.00 0.00 N ATOM 0 H LYS A 38 -6.284 4.201 14.247 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.639 6.304 15.379 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.669 4.850 17.610 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.815 6.566 17.285 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.897 6.283 16.146 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.693 4.546 16.039 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.354 4.989 17.692 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.924 4.410 18.524 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.249 6.893 18.802 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.862 7.298 18.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.726 7.286 20.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.776 6.060 20.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.212 5.667 20.638 1.00 0.00 H new ATOM 617 N GLU A 39 -3.333 4.369 16.635 1.00 0.00 N ATOM 618 CA GLU A 39 -2.237 3.441 16.878 1.00 0.00 C ATOM 619 C GLU A 39 -2.638 2.202 17.689 1.00 0.00 C ATOM 620 O GLU A 39 -1.808 1.314 17.869 1.00 0.00 O ATOM 621 CB GLU A 39 -1.091 4.216 17.528 1.00 0.00 C ATOM 622 CG GLU A 39 -1.385 4.567 18.990 1.00 0.00 C ATOM 623 CD GLU A 39 -0.614 5.817 19.409 1.00 0.00 C ATOM 624 OE1 GLU A 39 -1.079 6.938 19.088 1.00 0.00 O ATOM 625 OE2 GLU A 39 0.453 5.691 20.044 1.00 0.00 O ATOM 0 H GLU A 39 -3.310 5.178 17.256 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.916 3.031 15.920 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.178 3.623 17.475 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.909 5.132 16.966 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.454 4.732 19.122 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.109 3.731 19.633 1.00 0.00 H new ATOM 632 N GLY A 40 -3.872 2.134 18.190 1.00 0.00 N ATOM 633 CA GLY A 40 -4.445 0.988 18.883 1.00 0.00 C ATOM 634 C GLY A 40 -5.839 0.707 18.334 1.00 0.00 C ATOM 635 O GLY A 40 -6.787 0.497 19.100 1.00 0.00 O ATOM 0 H GLY A 40 -4.526 2.914 18.119 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.808 0.114 18.751 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.497 1.186 19.954 1.00 0.00 H new ATOM 639 N TYR A 41 -5.972 0.749 17.007 1.00 0.00 N ATOM 640 CA TYR A 41 -7.183 0.428 16.277 1.00 0.00 C ATOM 641 C TYR A 41 -6.819 -0.534 15.146 1.00 0.00 C ATOM 642 O TYR A 41 -6.374 -0.124 14.073 1.00 0.00 O ATOM 643 CB TYR A 41 -7.866 1.714 15.797 1.00 0.00 C ATOM 644 CG TYR A 41 -9.170 1.474 15.058 1.00 0.00 C ATOM 645 CD1 TYR A 41 -9.159 1.230 13.673 1.00 0.00 C ATOM 646 CD2 TYR A 41 -10.394 1.478 15.751 1.00 0.00 C ATOM 647 CE1 TYR A 41 -10.358 1.013 12.980 1.00 0.00 C ATOM 648 CE2 TYR A 41 -11.600 1.245 15.065 1.00 0.00 C ATOM 649 CZ TYR A 41 -11.587 1.037 13.668 1.00 0.00 C ATOM 650 OH TYR A 41 -12.749 0.857 12.986 1.00 0.00 O ATOM 0 H TYR A 41 -5.203 1.020 16.394 1.00 0.00 H new ATOM 0 HA TYR A 41 -7.912 -0.072 16.915 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.059 2.355 16.657 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.182 2.255 15.143 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.220 1.210 13.140 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.408 1.661 16.815 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.339 0.827 11.916 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.535 1.225 15.606 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.554 0.493 12.097 1.00 0.00 H new ATOM 660 N GLU A 42 -7.012 -1.831 15.377 1.00 0.00 N ATOM 661 CA GLU A 42 -6.797 -2.869 14.400 1.00 0.00 C ATOM 662 C GLU A 42 -8.018 -2.828 13.477 1.00 0.00 C ATOM 663 O GLU A 42 -9.147 -3.086 13.911 1.00 0.00 O ATOM 664 CB GLU A 42 -6.592 -4.212 15.125 1.00 0.00 C ATOM 665 CG GLU A 42 -6.510 -5.367 14.125 1.00 0.00 C ATOM 666 CD GLU A 42 -5.730 -6.578 14.654 1.00 0.00 C ATOM 667 OE1 GLU A 42 -6.115 -7.149 15.696 1.00 0.00 O ATOM 668 OE2 GLU A 42 -4.707 -6.956 14.033 1.00 0.00 O ATOM 0 H GLU A 42 -7.331 -2.187 16.278 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.899 -2.731 13.798 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.678 -4.174 15.718 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.415 -4.384 15.819 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.520 -5.682 13.861 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.037 -5.012 13.209 1.00 0.00 H new ATOM 675 N ILE A 43 -7.791 -2.357 12.244 1.00 0.00 N ATOM 676 CA ILE A 43 -8.808 -2.094 11.227 1.00 0.00 C ATOM 677 C ILE A 43 -9.557 -3.396 10.928 1.00 0.00 C ATOM 678 O ILE A 43 -8.932 -4.449 10.787 1.00 0.00 O ATOM 679 CB ILE A 43 -8.131 -1.448 9.987 1.00 0.00 C ATOM 680 CG1 ILE A 43 -7.685 -0.010 10.340 1.00 0.00 C ATOM 681 CG2 ILE A 43 -9.085 -1.425 8.777 1.00 0.00 C ATOM 682 CD1 ILE A 43 -6.852 0.683 9.258 1.00 0.00 C ATOM 0 H ILE A 43 -6.849 -2.140 11.917 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.555 -1.380 11.573 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.263 -2.047 9.714 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.571 0.593 10.539 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.106 -0.040 11.263 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.582 -0.967 7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.374 -2.445 8.522 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.975 -0.847 9.026 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.584 1.686 9.591 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.945 0.108 9.073 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.433 0.750 8.338 1.00 0.00 H new ATOM 694 N LYS A 44 -10.892 -3.327 10.850 1.00 0.00 N ATOM 695 CA LYS A 44 -11.749 -4.502 10.655 1.00 0.00 C ATOM 696 C LYS A 44 -11.828 -4.908 9.185 1.00 0.00 C ATOM 697 O LYS A 44 -11.907 -6.102 8.900 1.00 0.00 O ATOM 698 CB LYS A 44 -13.155 -4.228 11.207 1.00 0.00 C ATOM 699 CG LYS A 44 -13.185 -4.045 12.738 1.00 0.00 C ATOM 700 CD LYS A 44 -14.396 -3.233 13.220 1.00 0.00 C ATOM 701 CE LYS A 44 -14.283 -1.795 12.699 1.00 0.00 C ATOM 702 NZ LYS A 44 -15.310 -0.878 13.225 1.00 0.00 N ATOM 0 H LYS A 44 -11.409 -2.451 10.921 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.303 -5.332 11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.555 -3.332 10.733 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.812 -5.054 10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.198 -5.025 13.216 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.270 -3.547 13.057 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.319 -3.689 12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.439 -3.235 14.309 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.298 -1.404 12.955 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.348 -1.809 11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.898 0.069 13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.103 -0.824 12.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.655 -1.231 14.141 1.00 0.00 H new ATOM 716 N ASN A 45 -11.793 -3.939 8.265 1.00 0.00 N ATOM 717 CA ASN A 45 -11.859 -4.168 6.828 1.00 0.00 C ATOM 718 C ASN A 45 -10.712 -5.068 6.404 1.00 0.00 C ATOM 719 O ASN A 45 -9.555 -4.763 6.689 1.00 0.00 O ATOM 720 CB ASN A 45 -11.736 -2.837 6.073 1.00 0.00 C ATOM 721 CG ASN A 45 -13.004 -2.016 6.167 1.00 0.00 C ATOM 722 OD1 ASN A 45 -13.257 -1.353 7.171 1.00 0.00 O ATOM 723 ND2 ASN A 45 -13.888 -2.145 5.195 1.00 0.00 N ATOM 0 H ASN A 45 -11.716 -2.952 8.510 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.815 -4.636 6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.902 -2.265 6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.507 -3.033 5.025 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.798 -1.691 5.270 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.661 -2.699 4.369 1.00 0.00 H new ATOM 730 N ARG A 46 -11.016 -6.150 5.690 1.00 0.00 N ATOM 731 CA ARG A 46 -10.024 -7.079 5.154 1.00 0.00 C ATOM 732 C ARG A 46 -9.887 -6.884 3.644 1.00 0.00 C ATOM 733 O ARG A 46 -8.885 -7.271 3.055 1.00 0.00 O ATOM 734 CB ARG A 46 -10.450 -8.525 5.468 1.00 0.00 C ATOM 735 CG ARG A 46 -10.829 -8.842 6.911 1.00 0.00 C ATOM 736 CD ARG A 46 -9.684 -9.210 7.833 1.00 0.00 C ATOM 737 NE ARG A 46 -8.514 -8.312 7.803 1.00 0.00 N ATOM 738 CZ ARG A 46 -8.278 -7.298 8.650 1.00 0.00 C ATOM 739 NH1 ARG A 46 -9.224 -6.878 9.477 1.00 0.00 N ATOM 740 NH2 ARG A 46 -7.091 -6.701 8.668 1.00 0.00 N ATOM 0 H ARG A 46 -11.976 -6.410 5.464 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.058 -6.883 5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.301 -8.772 4.833 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.634 -9.188 5.180 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.342 -7.976 7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.544 -9.665 6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.063 -9.246 8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.351 -10.217 7.581 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.822 -8.477 7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.140 -7.326 9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.036 -6.107 10.117 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.354 -7.013 8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.917 -5.931 9.314 1.00 0.00 H new ATOM 754 N GLU A 47 -10.851 -6.233 2.993 1.00 0.00 N ATOM 755 CA GLU A 47 -10.894 -6.102 1.538 1.00 0.00 C ATOM 756 C GLU A 47 -9.804 -5.178 1.000 1.00 0.00 C ATOM 757 O GLU A 47 -9.377 -5.320 -0.147 1.00 0.00 O ATOM 758 CB GLU A 47 -12.288 -5.600 1.136 1.00 0.00 C ATOM 759 CG GLU A 47 -13.326 -6.715 1.347 1.00 0.00 C ATOM 760 CD GLU A 47 -14.763 -6.275 1.079 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.184 -5.235 1.643 1.00 0.00 O ATOM 762 OE2 GLU A 47 -15.457 -7.016 0.345 1.00 0.00 O ATOM 0 H GLU A 47 -11.631 -5.778 3.466 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.703 -7.080 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.555 -4.726 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.284 -5.287 0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.084 -7.553 0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.252 -7.079 2.372 1.00 0.00 H new ATOM 769 N THR A 48 -9.322 -4.254 1.819 1.00 0.00 N ATOM 770 CA THR A 48 -8.268 -3.313 1.517 1.00 0.00 C ATOM 771 C THR A 48 -7.008 -4.028 1.050 1.00 0.00 C ATOM 772 O THR A 48 -6.676 -3.982 -0.132 1.00 0.00 O ATOM 773 CB THR A 48 -8.056 -2.475 2.786 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.310 -2.018 3.256 1.00 0.00 O ATOM 775 CG2 THR A 48 -7.098 -1.306 2.595 1.00 0.00 C ATOM 0 H THR A 48 -9.682 -4.140 2.767 1.00 0.00 H new ATOM 0 HA THR A 48 -8.537 -2.659 0.688 1.00 0.00 H new ATOM 0 HB THR A 48 -7.585 -3.124 3.524 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.220 -1.711 4.182 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.998 -0.761 3.533 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.122 -1.682 2.288 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.488 -0.638 1.827 1.00 0.00 H new ATOM 783 N GLY A 49 -6.300 -4.723 1.937 1.00 0.00 N ATOM 784 CA GLY A 49 -5.060 -5.381 1.562 1.00 0.00 C ATOM 785 C GLY A 49 -5.278 -6.637 0.724 1.00 0.00 C ATOM 786 O GLY A 49 -4.312 -7.071 0.102 1.00 0.00 O ATOM 0 H GLY A 49 -6.565 -4.842 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.439 -4.681 1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.508 -5.645 2.464 1.00 0.00 H new ATOM 790 N CYS A 50 -6.510 -7.170 0.615 1.00 0.00 N ATOM 791 CA CYS A 50 -6.809 -8.104 -0.457 1.00 0.00 C ATOM 792 C CYS A 50 -6.447 -7.427 -1.781 1.00 0.00 C ATOM 793 O CYS A 50 -5.762 -8.016 -2.621 1.00 0.00 O ATOM 794 CB CYS A 50 -8.297 -8.489 -0.485 1.00 0.00 C ATOM 795 SG CYS A 50 -8.948 -9.718 0.685 1.00 0.00 S ATOM 0 H CYS A 50 -7.288 -6.969 1.244 1.00 0.00 H new ATOM 0 HA CYS A 50 -6.234 -9.016 -0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -8.870 -7.573 -0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.518 -8.851 -1.489 1.00 0.00 H new ATOM 800 N ALA A 51 -6.886 -6.175 -1.954 1.00 0.00 N ATOM 801 CA ALA A 51 -6.644 -5.432 -3.168 1.00 0.00 C ATOM 802 C ALA A 51 -5.214 -4.910 -3.243 1.00 0.00 C ATOM 803 O ALA A 51 -4.661 -4.909 -4.337 1.00 0.00 O ATOM 804 CB ALA A 51 -7.631 -4.286 -3.239 1.00 0.00 C ATOM 0 H ALA A 51 -7.416 -5.661 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.780 -6.100 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.460 -3.715 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.647 -4.681 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.497 -3.636 -2.374 1.00 0.00 H new ATOM 810 N ILE A 52 -4.603 -4.480 -2.127 1.00 0.00 N ATOM 811 CA ILE A 52 -3.222 -3.969 -2.176 1.00 0.00 C ATOM 812 C ILE A 52 -2.308 -5.079 -2.709 1.00 0.00 C ATOM 813 O ILE A 52 -1.456 -4.807 -3.556 1.00 0.00 O ATOM 814 CB ILE A 52 -2.711 -3.404 -0.824 1.00 0.00 C ATOM 815 CG1 ILE A 52 -3.636 -2.301 -0.261 1.00 0.00 C ATOM 816 CG2 ILE A 52 -1.307 -2.792 -1.000 1.00 0.00 C ATOM 817 CD1 ILE A 52 -3.328 -1.904 1.190 1.00 0.00 C ATOM 0 H ILE A 52 -5.030 -4.475 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.207 -3.113 -2.851 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.692 -4.242 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.555 -1.417 -0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.669 -2.643 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.959 -2.399 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.617 -3.560 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.351 -1.984 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.021 -1.126 1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.438 -2.775 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.306 -1.530 1.256 1.00 0.00 H new ATOM 829 N MET A 53 -2.513 -6.333 -2.280 1.00 0.00 N ATOM 830 CA MET A 53 -1.791 -7.453 -2.842 1.00 0.00 C ATOM 831 C MET A 53 -2.054 -7.509 -4.347 1.00 0.00 C ATOM 832 O MET A 53 -1.114 -7.403 -5.122 1.00 0.00 O ATOM 833 CB MET A 53 -2.169 -8.771 -2.149 1.00 0.00 C ATOM 834 CG MET A 53 -0.984 -9.711 -2.331 1.00 0.00 C ATOM 835 SD MET A 53 -1.319 -11.473 -2.134 1.00 0.00 S ATOM 836 CE MET A 53 0.313 -12.088 -2.626 1.00 0.00 C ATOM 0 H MET A 53 -3.175 -6.583 -1.546 1.00 0.00 H new ATOM 0 HA MET A 53 -0.723 -7.313 -2.674 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.376 -8.608 -1.091 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.072 -9.195 -2.588 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.571 -9.551 -3.327 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.211 -9.428 -1.616 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.194 -12.940 -3.295 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.860 -11.297 -3.139 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.868 -12.397 -1.740 1.00 0.00 H new ATOM 846 N CYS A 54 -3.322 -7.578 -4.763 1.00 0.00 N ATOM 847 CA CYS A 54 -3.742 -7.672 -6.161 1.00 0.00 C ATOM 848 C CYS A 54 -3.123 -6.589 -7.063 1.00 0.00 C ATOM 849 O CYS A 54 -2.824 -6.877 -8.227 1.00 0.00 O ATOM 850 CB CYS A 54 -5.275 -7.676 -6.182 1.00 0.00 C ATOM 851 SG CYS A 54 -6.108 -7.508 -7.778 1.00 0.00 S ATOM 0 H CYS A 54 -4.109 -7.570 -4.114 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.365 -8.599 -6.593 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.612 -8.608 -5.727 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.619 -6.865 -5.540 1.00 0.00 H new ATOM 856 N LEU A 55 -2.879 -5.377 -6.551 1.00 0.00 N ATOM 857 CA LEU A 55 -2.118 -4.347 -7.256 1.00 0.00 C ATOM 858 C LEU A 55 -0.683 -4.825 -7.468 1.00 0.00 C ATOM 859 O LEU A 55 -0.207 -4.951 -8.594 1.00 0.00 O ATOM 860 CB LEU A 55 -2.046 -3.026 -6.466 1.00 0.00 C ATOM 861 CG LEU A 55 -3.354 -2.283 -6.176 1.00 0.00 C ATOM 862 CD1 LEU A 55 -2.979 -1.018 -5.392 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.121 -1.984 -7.466 1.00 0.00 C ATOM 0 H LEU A 55 -3.207 -5.085 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.632 -4.170 -8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.563 -3.235 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.391 -2.347 -7.012 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.035 -2.893 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.882 -0.452 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.480 -1.299 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.309 -0.403 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.044 -1.456 -7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.507 -1.363 -8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.359 -2.919 -7.973 1.00 0.00 H new ATOM 875 N SER A 56 0.036 -5.051 -6.372 1.00 0.00 N ATOM 876 CA SER A 56 1.470 -5.266 -6.368 1.00 0.00 C ATOM 877 C SER A 56 1.814 -6.578 -7.085 1.00 0.00 C ATOM 878 O SER A 56 2.742 -6.616 -7.889 1.00 0.00 O ATOM 879 CB SER A 56 1.944 -5.192 -4.913 1.00 0.00 C ATOM 880 OG SER A 56 1.786 -3.870 -4.427 1.00 0.00 O ATOM 0 H SER A 56 -0.378 -5.090 -5.441 1.00 0.00 H new ATOM 0 HA SER A 56 2.002 -4.497 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.372 -5.887 -4.298 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.990 -5.492 -4.845 1.00 0.00 H new ATOM 0 HG SER A 56 2.088 -3.826 -3.496 1.00 0.00 H new ATOM 886 N THR A 57 1.019 -7.622 -6.880 1.00 0.00 N ATOM 887 CA THR A 57 0.983 -8.855 -7.644 1.00 0.00 C ATOM 888 C THR A 57 0.936 -8.564 -9.151 1.00 0.00 C ATOM 889 O THR A 57 1.821 -8.998 -9.897 1.00 0.00 O ATOM 890 CB THR A 57 -0.242 -9.635 -7.134 1.00 0.00 C ATOM 891 OG1 THR A 57 -0.019 -10.039 -5.799 1.00 0.00 O ATOM 892 CG2 THR A 57 -0.603 -10.861 -7.956 1.00 0.00 C ATOM 0 H THR A 57 0.337 -7.625 -6.122 1.00 0.00 H new ATOM 0 HA THR A 57 1.884 -9.453 -7.505 1.00 0.00 H new ATOM 0 HB THR A 57 -1.083 -8.947 -7.220 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.799 -10.534 -5.472 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.477 -11.346 -7.522 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.826 -10.560 -8.980 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.235 -11.558 -7.957 1.00 0.00 H new ATOM 900 N LYS A 58 -0.069 -7.819 -9.631 1.00 0.00 N ATOM 901 CA LYS A 58 -0.205 -7.507 -11.056 1.00 0.00 C ATOM 902 C LYS A 58 1.015 -6.745 -11.555 1.00 0.00 C ATOM 903 O LYS A 58 1.557 -7.053 -12.615 1.00 0.00 O ATOM 904 CB LYS A 58 -1.491 -6.707 -11.272 1.00 0.00 C ATOM 905 CG LYS A 58 -1.868 -6.500 -12.744 1.00 0.00 C ATOM 906 CD LYS A 58 -2.607 -7.736 -13.278 1.00 0.00 C ATOM 907 CE LYS A 58 -2.918 -7.688 -14.778 1.00 0.00 C ATOM 908 NZ LYS A 58 -3.532 -6.410 -15.194 1.00 0.00 N ATOM 0 H LYS A 58 -0.803 -7.420 -9.047 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.266 -8.431 -11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.311 -7.218 -10.768 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.382 -5.732 -10.797 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.499 -5.617 -12.845 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.970 -6.319 -13.336 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.005 -8.621 -13.072 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.542 -7.851 -12.729 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.998 -7.844 -15.341 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.589 -8.508 -15.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.860 -6.486 -16.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.340 -6.196 -14.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.829 -5.647 -15.122 1.00 0.00 H new ATOM 922 N LEU A 59 1.503 -5.799 -10.759 1.00 0.00 N ATOM 923 CA LEU A 59 2.692 -5.008 -11.025 1.00 0.00 C ATOM 924 C LEU A 59 3.967 -5.850 -10.903 1.00 0.00 C ATOM 925 O LEU A 59 5.048 -5.270 -10.936 1.00 0.00 O ATOM 926 CB LEU A 59 2.709 -3.798 -10.068 1.00 0.00 C ATOM 927 CG LEU A 59 1.612 -2.758 -10.380 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.474 -1.788 -9.202 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.934 -1.979 -11.664 1.00 0.00 C ATOM 0 H LEU A 59 1.059 -5.555 -9.874 1.00 0.00 H new ATOM 0 HA LEU A 59 2.664 -4.648 -12.053 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.585 -4.151 -9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.684 -3.314 -10.122 1.00 0.00 H new ATOM 0 HG LEU A 59 0.671 -3.287 -10.533 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.699 -1.054 -9.424 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.202 -2.343 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.422 -1.276 -9.039 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.143 -1.254 -11.858 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.883 -1.457 -11.545 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.004 -2.672 -12.502 1.00 0.00 H new ATOM 941 N ASN A 60 3.880 -7.182 -10.742 1.00 0.00 N ATOM 942 CA ASN A 60 5.000 -8.134 -10.663 1.00 0.00 C ATOM 943 C ASN A 60 5.902 -7.840 -9.456 1.00 0.00 C ATOM 944 O ASN A 60 7.005 -8.368 -9.343 1.00 0.00 O ATOM 945 CB ASN A 60 5.767 -8.152 -12.007 1.00 0.00 C ATOM 946 CG ASN A 60 5.109 -8.968 -13.117 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.786 -9.420 -14.030 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.800 -9.168 -13.132 1.00 0.00 N ATOM 0 H ASN A 60 2.976 -7.648 -10.659 1.00 0.00 H new ATOM 0 HA ASN A 60 4.609 -9.138 -10.498 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.886 -7.125 -12.354 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.768 -8.547 -11.831 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.373 -9.691 -13.896 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.219 -8.799 -12.379 1.00 0.00 H new ATOM 955 N MET A 61 5.439 -6.981 -8.549 1.00 0.00 N ATOM 956 CA MET A 61 6.165 -6.441 -7.413 1.00 0.00 C ATOM 957 C MET A 61 6.362 -7.492 -6.317 1.00 0.00 C ATOM 958 O MET A 61 7.308 -7.371 -5.540 1.00 0.00 O ATOM 959 CB MET A 61 5.335 -5.262 -6.889 1.00 0.00 C ATOM 960 CG MET A 61 6.085 -4.211 -6.085 1.00 0.00 C ATOM 961 SD MET A 61 5.912 -2.508 -6.704 1.00 0.00 S ATOM 962 CE MET A 61 4.108 -2.289 -6.669 1.00 0.00 C ATOM 0 H MET A 61 4.485 -6.624 -8.596 1.00 0.00 H new ATOM 0 HA MET A 61 7.163 -6.124 -7.714 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.865 -4.770 -7.741 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.532 -5.659 -6.268 1.00 0.00 H new ATOM 0 HG2 MET A 61 5.735 -4.245 -5.053 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.143 -4.472 -6.071 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.872 -1.228 -6.582 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.676 -2.683 -7.589 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.693 -2.824 -5.815 1.00 0.00 H new ATOM 972 N LEU A 62 5.478 -8.497 -6.261 1.00 0.00 N ATOM 973 CA LEU A 62 5.438 -9.523 -5.226 1.00 0.00 C ATOM 974 C LEU A 62 5.727 -10.881 -5.840 1.00 0.00 C ATOM 975 O LEU A 62 5.245 -11.178 -6.936 1.00 0.00 O ATOM 976 CB LEU A 62 4.076 -9.560 -4.512 1.00 0.00 C ATOM 977 CG LEU A 62 3.680 -8.251 -3.815 1.00 0.00 C ATOM 978 CD1 LEU A 62 2.309 -8.375 -3.156 1.00 0.00 C ATOM 979 CD2 LEU A 62 4.698 -7.805 -2.768 1.00 0.00 C ATOM 0 H LEU A 62 4.748 -8.617 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 62 6.199 -9.278 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.306 -9.815 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.091 -10.360 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 62 3.649 -7.493 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.053 -7.434 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.561 -8.607 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.333 -9.173 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.364 -6.874 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.792 -8.574 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.665 -7.648 -3.245 1.00 0.00 H new ATOM 991 N ASP A 63 6.496 -11.689 -5.126 1.00 0.00 N ATOM 992 CA ASP A 63 6.993 -13.002 -5.532 1.00 0.00 C ATOM 993 C ASP A 63 5.837 -14.010 -5.508 1.00 0.00 C ATOM 994 O ASP A 63 4.797 -13.739 -4.896 1.00 0.00 O ATOM 995 CB ASP A 63 8.115 -13.466 -4.576 1.00 0.00 C ATOM 996 CG ASP A 63 9.182 -12.424 -4.220 1.00 0.00 C ATOM 997 OD1 ASP A 63 9.382 -11.462 -5.002 1.00 0.00 O ATOM 998 OD2 ASP A 63 9.835 -12.596 -3.170 1.00 0.00 O ATOM 0 H ASP A 63 6.811 -11.433 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 63 7.400 -12.937 -6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.654 -13.813 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.613 -14.325 -5.025 1.00 0.00 H new ATOM 1003 N PRO A 64 5.980 -15.218 -6.079 1.00 0.00 N ATOM 1004 CA PRO A 64 4.948 -16.240 -5.997 1.00 0.00 C ATOM 1005 C PRO A 64 4.918 -16.898 -4.608 1.00 0.00 C ATOM 1006 O PRO A 64 4.065 -17.749 -4.349 1.00 0.00 O ATOM 1007 CB PRO A 64 5.265 -17.217 -7.128 1.00 0.00 C ATOM 1008 CG PRO A 64 6.771 -17.094 -7.354 1.00 0.00 C ATOM 1009 CD PRO A 64 7.167 -15.754 -6.728 1.00 0.00 C ATOM 0 HA PRO A 64 3.944 -15.832 -6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.990 -18.236 -6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.710 -16.967 -8.032 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.307 -17.920 -6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.012 -17.118 -8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.973 -15.889 -6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.533 -15.066 -7.490 1.00 0.00 H new ATOM 1017 N GLU A 65 5.830 -16.528 -3.706 1.00 0.00 N ATOM 1018 CA GLU A 65 5.690 -16.731 -2.269 1.00 0.00 C ATOM 1019 C GLU A 65 4.713 -15.691 -1.732 1.00 0.00 C ATOM 1020 O GLU A 65 3.729 -16.042 -1.082 1.00 0.00 O ATOM 1021 CB GLU A 65 7.057 -16.580 -1.600 1.00 0.00 C ATOM 1022 CG GLU A 65 7.907 -17.844 -1.762 1.00 0.00 C ATOM 1023 CD GLU A 65 7.649 -18.865 -0.648 1.00 0.00 C ATOM 1024 OE1 GLU A 65 6.471 -19.180 -0.366 1.00 0.00 O ATOM 1025 OE2 GLU A 65 8.656 -19.318 -0.054 1.00 0.00 O ATOM 0 H GLU A 65 6.704 -16.069 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 65 5.311 -17.731 -2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.583 -15.729 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.922 -16.365 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.693 -18.302 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.962 -17.572 -1.765 1.00 0.00 H new ATOM 1032 N GLY A 66 4.955 -14.419 -2.045 1.00 0.00 N ATOM 1033 CA GLY A 66 4.164 -13.276 -1.640 1.00 0.00 C ATOM 1034 C GLY A 66 5.036 -12.152 -1.096 1.00 0.00 C ATOM 1035 O GLY A 66 4.529 -11.044 -0.964 1.00 0.00 O ATOM 0 H GLY A 66 5.754 -14.152 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.589 -12.911 -2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.447 -13.581 -0.878 1.00 0.00 H new ATOM 1039 N ASN A 67 6.321 -12.401 -0.805 1.00 0.00 N ATOM 1040 CA ASN A 67 7.271 -11.372 -0.372 1.00 0.00 C ATOM 1041 C ASN A 67 7.452 -10.341 -1.484 1.00 0.00 C ATOM 1042 O ASN A 67 7.108 -10.614 -2.632 1.00 0.00 O ATOM 1043 CB ASN A 67 8.658 -11.946 -0.010 1.00 0.00 C ATOM 1044 CG ASN A 67 8.751 -13.454 0.105 1.00 0.00 C ATOM 1045 OD1 ASN A 67 8.160 -14.049 1.004 1.00 0.00 O ATOM 1046 ND2 ASN A 67 9.402 -14.106 -0.841 1.00 0.00 N ATOM 0 H ASN A 67 6.732 -13.333 -0.865 1.00 0.00 H new ATOM 0 HA ASN A 67 6.851 -10.918 0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.372 -11.616 -0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.972 -11.510 0.939 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.422 -15.126 -0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.885 -13.590 -1.576 1.00 0.00 H new ATOM 1053 N LEU A 68 8.047 -9.191 -1.177 1.00 0.00 N ATOM 1054 CA LEU A 68 8.360 -8.178 -2.185 1.00 0.00 C ATOM 1055 C LEU A 68 9.696 -8.485 -2.873 1.00 0.00 C ATOM 1056 O LEU A 68 10.683 -8.882 -2.240 1.00 0.00 O ATOM 1057 CB LEU A 68 8.389 -6.825 -1.472 1.00 0.00 C ATOM 1058 CG LEU A 68 8.551 -5.575 -2.353 1.00 0.00 C ATOM 1059 CD1 LEU A 68 7.201 -5.047 -2.851 1.00 0.00 C ATOM 1060 CD2 LEU A 68 9.240 -4.467 -1.559 1.00 0.00 C ATOM 0 H LEU A 68 8.325 -8.935 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 68 7.606 -8.169 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.465 -6.722 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.206 -6.839 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 68 9.152 -5.864 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.361 -4.164 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.704 -5.817 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.576 -4.784 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.352 -3.584 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.637 -4.216 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.223 -4.809 -1.235 1.00 0.00 H new ATOM 1072 N HIS A 69 9.739 -8.214 -4.174 1.00 0.00 N ATOM 1073 CA HIS A 69 10.957 -8.190 -4.969 1.00 0.00 C ATOM 1074 C HIS A 69 11.641 -6.853 -4.718 1.00 0.00 C ATOM 1075 O HIS A 69 11.075 -5.818 -5.090 1.00 0.00 O ATOM 1076 CB HIS A 69 10.684 -8.334 -6.476 1.00 0.00 C ATOM 1077 CG HIS A 69 11.614 -9.252 -7.234 1.00 0.00 C ATOM 1078 ND1 HIS A 69 12.425 -8.857 -8.276 1.00 0.00 N ATOM 1079 CD2 HIS A 69 11.736 -10.614 -7.107 1.00 0.00 C ATOM 1080 CE1 HIS A 69 12.990 -9.949 -8.788 1.00 0.00 C ATOM 1081 NE2 HIS A 69 12.629 -11.044 -8.099 1.00 0.00 N ATOM 0 H HIS A 69 8.903 -7.999 -4.717 1.00 0.00 H new ATOM 0 HA HIS A 69 11.579 -9.035 -4.674 1.00 0.00 H new ATOM 0 HB2 HIS A 69 9.664 -8.694 -6.607 1.00 0.00 H new ATOM 0 HB3 HIS A 69 10.733 -7.344 -6.930 1.00 0.00 H new ATOM 0 HD2 HIS A 69 11.238 -11.237 -6.379 1.00 0.00 H new ATOM 0 HE1 HIS A 69 13.650 -9.953 -9.643 1.00 0.00 H new ATOM 0 HE2 HIS A 69 12.943 -12.000 -8.265 1.00 0.00 H new ATOM 1089 N HIS A 70 12.866 -6.858 -4.183 1.00 0.00 N ATOM 1090 CA HIS A 70 13.664 -5.635 -4.087 1.00 0.00 C ATOM 1091 C HIS A 70 13.786 -4.961 -5.459 1.00 0.00 C ATOM 1092 O HIS A 70 13.524 -3.767 -5.587 1.00 0.00 O ATOM 1093 CB HIS A 70 15.042 -5.905 -3.459 1.00 0.00 C ATOM 1094 CG HIS A 70 15.620 -7.248 -3.795 1.00 0.00 C ATOM 1095 ND1 HIS A 70 16.245 -7.621 -4.961 1.00 0.00 N ATOM 1096 CD2 HIS A 70 15.500 -8.355 -3.005 1.00 0.00 C ATOM 1097 CE1 HIS A 70 16.485 -8.940 -4.877 1.00 0.00 C ATOM 1098 NE2 HIS A 70 16.058 -9.429 -3.702 1.00 0.00 N ATOM 0 H HIS A 70 13.323 -7.691 -3.812 1.00 0.00 H new ATOM 0 HA HIS A 70 13.145 -4.945 -3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 70 15.736 -5.131 -3.787 1.00 0.00 H new ATOM 0 HB3 HIS A 70 14.958 -5.819 -2.376 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.055 -8.393 -2.022 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.958 -9.528 -5.650 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.127 -10.395 -3.381 1.00 0.00 H new ATOM 1106 N GLY A 71 14.157 -5.701 -6.509 1.00 0.00 N ATOM 1107 CA GLY A 71 14.442 -5.098 -7.804 1.00 0.00 C ATOM 1108 C GLY A 71 13.172 -4.688 -8.556 1.00 0.00 C ATOM 1109 O GLY A 71 13.143 -3.631 -9.184 1.00 0.00 O ATOM 0 H GLY A 71 14.265 -6.715 -6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 71 15.074 -4.221 -7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.008 -5.803 -8.412 1.00 0.00 H new ATOM 1113 N ASN A 72 12.113 -5.509 -8.520 1.00 0.00 N ATOM 1114 CA ASN A 72 10.876 -5.157 -9.230 1.00 0.00 C ATOM 1115 C ASN A 72 10.249 -3.921 -8.578 1.00 0.00 C ATOM 1116 O ASN A 72 9.851 -2.988 -9.278 1.00 0.00 O ATOM 1117 CB ASN A 72 9.864 -6.321 -9.325 1.00 0.00 C ATOM 1118 CG ASN A 72 10.370 -7.520 -10.126 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.438 -7.491 -10.738 1.00 0.00 O ATOM 1120 ND2 ASN A 72 9.666 -8.630 -10.069 1.00 0.00 N ATOM 0 H ASN A 72 12.086 -6.398 -8.021 1.00 0.00 H new ATOM 0 HA ASN A 72 11.146 -4.931 -10.261 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.610 -6.651 -8.318 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.945 -5.954 -9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.004 -9.473 -10.533 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.782 -8.648 -9.560 1.00 0.00 H new ATOM 1127 N ALA A 73 10.200 -3.868 -7.239 1.00 0.00 N ATOM 1128 CA ALA A 73 9.673 -2.709 -6.525 1.00 0.00 C ATOM 1129 C ALA A 73 10.591 -1.484 -6.656 1.00 0.00 C ATOM 1130 O ALA A 73 10.103 -0.349 -6.637 1.00 0.00 O ATOM 1131 CB ALA A 73 9.446 -3.074 -5.057 1.00 0.00 C ATOM 0 H ALA A 73 10.522 -4.621 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 73 8.721 -2.432 -6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.052 -2.209 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.732 -3.895 -4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.391 -3.378 -4.607 1.00 0.00 H new ATOM 1137 N MET A 74 11.904 -1.686 -6.823 1.00 0.00 N ATOM 1138 CA MET A 74 12.828 -0.627 -7.213 1.00 0.00 C ATOM 1139 C MET A 74 12.392 -0.034 -8.550 1.00 0.00 C ATOM 1140 O MET A 74 12.215 1.182 -8.634 1.00 0.00 O ATOM 1141 CB MET A 74 14.272 -1.150 -7.225 1.00 0.00 C ATOM 1142 CG MET A 74 15.288 -0.208 -7.876 1.00 0.00 C ATOM 1143 SD MET A 74 15.492 -0.346 -9.674 1.00 0.00 S ATOM 1144 CE MET A 74 16.869 0.806 -9.871 1.00 0.00 C ATOM 0 H MET A 74 12.351 -2.593 -6.690 1.00 0.00 H new ATOM 0 HA MET A 74 12.803 0.179 -6.480 1.00 0.00 H new ATOM 0 HB2 MET A 74 14.582 -1.344 -6.198 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.294 -2.105 -7.750 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.999 0.817 -7.644 1.00 0.00 H new ATOM 0 HG3 MET A 74 16.258 -0.379 -7.409 1.00 0.00 H new ATOM 0 HE1 MET A 74 17.148 0.863 -10.923 1.00 0.00 H new ATOM 0 HE2 MET A 74 16.570 1.794 -9.521 1.00 0.00 H new ATOM 0 HE3 MET A 74 17.721 0.457 -9.288 1.00 0.00 H new ATOM 1154 N GLU A 75 12.166 -0.857 -9.580 1.00 0.00 N ATOM 1155 CA GLU A 75 11.826 -0.355 -10.909 1.00 0.00 C ATOM 1156 C GLU A 75 10.527 0.458 -10.909 1.00 0.00 C ATOM 1157 O GLU A 75 10.448 1.475 -11.605 1.00 0.00 O ATOM 1158 CB GLU A 75 11.761 -1.494 -11.935 1.00 0.00 C ATOM 1159 CG GLU A 75 13.152 -1.836 -12.471 1.00 0.00 C ATOM 1160 CD GLU A 75 13.082 -2.863 -13.601 1.00 0.00 C ATOM 1161 OE1 GLU A 75 12.584 -2.526 -14.705 1.00 0.00 O ATOM 1162 OE2 GLU A 75 13.511 -4.019 -13.381 1.00 0.00 O ATOM 0 H GLU A 75 12.213 -1.874 -9.515 1.00 0.00 H new ATOM 0 HA GLU A 75 12.628 0.322 -11.203 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.319 -2.377 -11.474 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.111 -1.206 -12.761 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.637 -0.929 -12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.769 -2.226 -11.661 1.00 0.00 H new ATOM 1169 N PHE A 76 9.543 0.071 -10.088 1.00 0.00 N ATOM 1170 CA PHE A 76 8.280 0.792 -9.984 1.00 0.00 C ATOM 1171 C PHE A 76 8.522 2.223 -9.509 1.00 0.00 C ATOM 1172 O PHE A 76 7.800 3.125 -9.929 1.00 0.00 O ATOM 1173 CB PHE A 76 7.315 0.070 -9.034 1.00 0.00 C ATOM 1174 CG PHE A 76 5.901 0.638 -9.007 1.00 0.00 C ATOM 1175 CD1 PHE A 76 4.996 0.335 -10.044 1.00 0.00 C ATOM 1176 CD2 PHE A 76 5.476 1.459 -7.941 1.00 0.00 C ATOM 1177 CE1 PHE A 76 3.682 0.843 -10.010 1.00 0.00 C ATOM 1178 CE2 PHE A 76 4.155 1.945 -7.901 1.00 0.00 C ATOM 1179 CZ PHE A 76 3.245 1.626 -8.926 1.00 0.00 C ATOM 0 H PHE A 76 9.605 -0.747 -9.482 1.00 0.00 H new ATOM 0 HA PHE A 76 7.824 0.824 -10.973 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.264 -0.981 -9.320 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.726 0.106 -8.025 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.311 -0.289 -10.868 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.167 1.716 -7.152 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.004 0.629 -10.823 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.838 2.567 -7.077 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.225 1.978 -8.881 1.00 0.00 H new ATOM 1189 N ALA A 77 9.528 2.436 -8.654 1.00 0.00 N ATOM 1190 CA ALA A 77 9.846 3.727 -8.064 1.00 0.00 C ATOM 1191 C ALA A 77 10.900 4.499 -8.862 1.00 0.00 C ATOM 1192 O ALA A 77 10.866 5.733 -8.908 1.00 0.00 O ATOM 1193 CB ALA A 77 10.317 3.489 -6.632 1.00 0.00 C ATOM 0 H ALA A 77 10.156 1.692 -8.350 1.00 0.00 H new ATOM 0 HA ALA A 77 8.950 4.348 -8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.562 4.443 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.524 3.001 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.201 2.852 -6.641 1.00 0.00 H new ATOM 1199 N LYS A 78 11.834 3.806 -9.522 1.00 0.00 N ATOM 1200 CA LYS A 78 12.885 4.444 -10.313 1.00 0.00 C ATOM 1201 C LYS A 78 12.299 5.185 -11.512 1.00 0.00 C ATOM 1202 O LYS A 78 12.949 6.095 -12.015 1.00 0.00 O ATOM 1203 CB LYS A 78 14.010 3.444 -10.665 1.00 0.00 C ATOM 1204 CG LYS A 78 13.908 2.664 -11.989 1.00 0.00 C ATOM 1205 CD LYS A 78 14.487 3.444 -13.183 1.00 0.00 C ATOM 1206 CE LYS A 78 14.514 2.626 -14.471 1.00 0.00 C ATOM 1207 NZ LYS A 78 15.617 1.653 -14.522 1.00 0.00 N ATOM 0 H LYS A 78 11.880 2.787 -9.521 1.00 0.00 H new ATOM 0 HA LYS A 78 13.366 5.211 -9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.951 3.993 -10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.073 2.717 -9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.436 1.716 -11.889 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.863 2.427 -12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.895 4.345 -13.343 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.500 3.767 -12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.567 2.097 -14.576 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.597 3.303 -15.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.578 1.131 -15.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.526 2.154 -14.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.528 0.985 -13.730 1.00 0.00 H new ATOM 1221 N LYS A 79 11.067 4.852 -11.918 1.00 0.00 N ATOM 1222 CA LYS A 79 10.276 5.466 -12.975 1.00 0.00 C ATOM 1223 C LYS A 79 10.417 6.999 -12.978 1.00 0.00 C ATOM 1224 O LYS A 79 11.027 7.548 -13.894 1.00 0.00 O ATOM 1225 CB LYS A 79 8.822 4.978 -12.805 1.00 0.00 C ATOM 1226 CG LYS A 79 8.202 4.261 -14.017 1.00 0.00 C ATOM 1227 CD LYS A 79 8.186 2.722 -13.931 1.00 0.00 C ATOM 1228 CE LYS A 79 9.446 2.012 -14.440 1.00 0.00 C ATOM 1229 NZ LYS A 79 9.616 2.160 -15.900 1.00 0.00 N ATOM 0 H LYS A 79 10.563 4.083 -11.475 1.00 0.00 H new ATOM 0 HA LYS A 79 10.638 5.162 -13.957 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.785 4.302 -11.951 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.198 5.837 -12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.178 4.613 -14.142 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.751 4.553 -14.912 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.026 2.437 -12.891 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.331 2.354 -14.498 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.320 2.417 -13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.392 0.953 -14.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.377 1.531 -16.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.728 1.908 -16.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.862 3.146 -16.123 1.00 0.00 H new ATOM 1243 N HIS A 80 9.905 7.698 -11.957 1.00 0.00 N ATOM 1244 CA HIS A 80 10.089 9.155 -11.848 1.00 0.00 C ATOM 1245 C HIS A 80 11.422 9.479 -11.140 1.00 0.00 C ATOM 1246 O HIS A 80 11.823 10.636 -11.034 1.00 0.00 O ATOM 1247 CB HIS A 80 8.875 9.812 -11.168 1.00 0.00 C ATOM 1248 CG HIS A 80 8.830 11.327 -11.288 1.00 0.00 C ATOM 1249 ND1 HIS A 80 9.513 12.101 -12.204 1.00 0.00 N ATOM 1250 CD2 HIS A 80 8.107 12.189 -10.506 1.00 0.00 C ATOM 1251 CE1 HIS A 80 9.205 13.388 -11.977 1.00 0.00 C ATOM 1252 NE2 HIS A 80 8.321 13.489 -10.968 1.00 0.00 N ATOM 0 H HIS A 80 9.363 7.284 -11.198 1.00 0.00 H new ATOM 0 HA HIS A 80 10.150 9.582 -12.849 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.964 9.398 -11.601 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.877 9.543 -10.112 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.478 11.910 -9.673 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.610 14.225 -12.527 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.893 14.344 -10.612 1.00 0.00 H new ATOM 1260 N GLY A 81 12.132 8.459 -10.654 1.00 0.00 N ATOM 1261 CA GLY A 81 13.421 8.583 -10.001 1.00 0.00 C ATOM 1262 C GLY A 81 13.227 9.003 -8.562 1.00 0.00 C ATOM 1263 O GLY A 81 13.505 10.146 -8.204 1.00 0.00 O ATOM 0 H GLY A 81 11.807 7.494 -10.710 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.954 7.633 -10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.035 9.316 -10.524 1.00 0.00 H new ATOM 1267 N ALA A 82 12.716 8.075 -7.752 1.00 0.00 N ATOM 1268 CA ALA A 82 12.603 8.212 -6.306 1.00 0.00 C ATOM 1269 C ALA A 82 13.959 8.518 -5.645 1.00 0.00 C ATOM 1270 O ALA A 82 15.000 8.584 -6.304 1.00 0.00 O ATOM 1271 CB ALA A 82 12.002 6.908 -5.766 1.00 0.00 C ATOM 0 H ALA A 82 12.360 7.183 -8.097 1.00 0.00 H new ATOM 0 HA ALA A 82 11.959 9.058 -6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.902 6.975 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.020 6.748 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.656 6.074 -6.020 1.00 0.00 H new ATOM 1277 N ASP A 83 13.942 8.659 -4.318 1.00 0.00 N ATOM 1278 CA ASP A 83 15.153 8.866 -3.534 1.00 0.00 C ATOM 1279 C ASP A 83 15.844 7.521 -3.392 1.00 0.00 C ATOM 1280 O ASP A 83 15.210 6.466 -3.509 1.00 0.00 O ATOM 1281 CB ASP A 83 14.848 9.298 -2.095 1.00 0.00 C ATOM 1282 CG ASP A 83 14.322 10.705 -1.900 1.00 0.00 C ATOM 1283 OD1 ASP A 83 13.854 11.377 -2.841 1.00 0.00 O ATOM 1284 OD2 ASP A 83 14.150 11.038 -0.712 1.00 0.00 O ATOM 0 H ASP A 83 13.088 8.632 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 83 15.742 9.630 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.119 8.602 -1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.760 9.192 -1.508 1.00 0.00 H new ATOM 1289 N GLU A 84 17.120 7.545 -3.031 1.00 0.00 N ATOM 1290 CA GLU A 84 17.887 6.342 -2.749 1.00 0.00 C ATOM 1291 C GLU A 84 17.478 5.773 -1.396 1.00 0.00 C ATOM 1292 O GLU A 84 17.475 4.562 -1.218 1.00 0.00 O ATOM 1293 CB GLU A 84 19.389 6.657 -2.809 1.00 0.00 C ATOM 1294 CG GLU A 84 19.855 7.657 -1.736 1.00 0.00 C ATOM 1295 CD GLU A 84 21.280 8.111 -2.027 1.00 0.00 C ATOM 1296 OE1 GLU A 84 22.225 7.345 -1.753 1.00 0.00 O ATOM 1297 OE2 GLU A 84 21.457 9.172 -2.671 1.00 0.00 O ATOM 0 H GLU A 84 17.655 8.407 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 84 17.677 5.583 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 84 19.950 5.729 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 84 19.628 7.057 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.187 8.518 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 84 19.807 7.194 -0.751 1.00 0.00 H new ATOM 1304 N THR A 85 17.094 6.636 -0.456 1.00 0.00 N ATOM 1305 CA THR A 85 16.589 6.219 0.833 1.00 0.00 C ATOM 1306 C THR A 85 15.209 5.593 0.641 1.00 0.00 C ATOM 1307 O THR A 85 15.007 4.420 0.927 1.00 0.00 O ATOM 1308 CB THR A 85 16.528 7.437 1.763 1.00 0.00 C ATOM 1309 OG1 THR A 85 17.804 7.983 2.031 1.00 0.00 O ATOM 1310 CG2 THR A 85 15.876 7.029 3.073 1.00 0.00 C ATOM 0 H THR A 85 17.128 7.648 -0.577 1.00 0.00 H new ATOM 0 HA THR A 85 17.245 5.476 1.287 1.00 0.00 H new ATOM 0 HB THR A 85 15.945 8.206 1.257 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.711 8.756 2.626 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.829 7.890 3.740 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.867 6.665 2.879 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.463 6.239 3.541 1.00 0.00 H new ATOM 1318 N MET A 86 14.237 6.379 0.171 1.00 0.00 N ATOM 1319 CA MET A 86 12.832 6.048 0.382 1.00 0.00 C ATOM 1320 C MET A 86 12.473 4.786 -0.380 1.00 0.00 C ATOM 1321 O MET A 86 11.732 3.956 0.136 1.00 0.00 O ATOM 1322 CB MET A 86 11.932 7.205 -0.065 1.00 0.00 C ATOM 1323 CG MET A 86 10.443 6.921 0.207 1.00 0.00 C ATOM 1324 SD MET A 86 9.354 8.364 0.389 1.00 0.00 S ATOM 1325 CE MET A 86 7.862 7.582 1.097 1.00 0.00 C ATOM 0 H MET A 86 14.398 7.240 -0.352 1.00 0.00 H new ATOM 0 HA MET A 86 12.674 5.878 1.447 1.00 0.00 H new ATOM 0 HB2 MET A 86 12.228 8.116 0.456 1.00 0.00 H new ATOM 0 HB3 MET A 86 12.077 7.386 -1.130 1.00 0.00 H new ATOM 0 HG2 MET A 86 10.060 6.307 -0.608 1.00 0.00 H new ATOM 0 HG3 MET A 86 10.371 6.324 1.116 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.031 7.686 0.399 1.00 0.00 H new ATOM 0 HE2 MET A 86 8.056 6.524 1.276 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.608 8.069 2.039 1.00 0.00 H new ATOM 1335 N ALA A 87 12.981 4.647 -1.607 1.00 0.00 N ATOM 1336 CA ALA A 87 12.662 3.508 -2.436 1.00 0.00 C ATOM 1337 C ALA A 87 13.196 2.230 -1.792 1.00 0.00 C ATOM 1338 O ALA A 87 12.555 1.188 -1.917 1.00 0.00 O ATOM 1339 CB ALA A 87 13.259 3.742 -3.820 1.00 0.00 C ATOM 0 H ALA A 87 13.616 5.318 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 87 11.583 3.390 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.030 2.893 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.834 4.649 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.340 3.852 -3.736 1.00 0.00 H new ATOM 1345 N GLN A 88 14.330 2.343 -1.089 1.00 0.00 N ATOM 1346 CA GLN A 88 15.015 1.248 -0.431 1.00 0.00 C ATOM 1347 C GLN A 88 14.337 0.897 0.884 1.00 0.00 C ATOM 1348 O GLN A 88 14.058 -0.273 1.131 1.00 0.00 O ATOM 1349 CB GLN A 88 16.480 1.639 -0.235 1.00 0.00 C ATOM 1350 CG GLN A 88 17.355 0.411 0.031 1.00 0.00 C ATOM 1351 CD GLN A 88 17.494 0.093 1.512 1.00 0.00 C ATOM 1352 OE1 GLN A 88 18.146 0.826 2.239 1.00 0.00 O ATOM 1353 NE2 GLN A 88 16.994 -1.049 1.953 1.00 0.00 N ATOM 0 H GLN A 88 14.805 3.237 -0.965 1.00 0.00 H new ATOM 0 HA GLN A 88 14.969 0.352 -1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.841 2.160 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.564 2.335 0.600 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.928 -0.451 -0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.345 0.577 -0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.453 -1.644 1.326 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.150 -1.334 2.920 1.00 0.00 H new ATOM 1362 N GLN A 89 14.032 1.891 1.713 1.00 0.00 N ATOM 1363 CA GLN A 89 13.323 1.654 2.954 1.00 0.00 C ATOM 1364 C GLN A 89 11.973 1.018 2.674 1.00 0.00 C ATOM 1365 O GLN A 89 11.576 0.127 3.397 1.00 0.00 O ATOM 1366 CB GLN A 89 13.131 2.955 3.725 1.00 0.00 C ATOM 1367 CG GLN A 89 14.475 3.436 4.304 1.00 0.00 C ATOM 1368 CD GLN A 89 14.281 4.251 5.575 1.00 0.00 C ATOM 1369 OE1 GLN A 89 14.706 5.399 5.667 1.00 0.00 O ATOM 1370 NE2 GLN A 89 13.635 3.661 6.566 1.00 0.00 N ATOM 0 H GLN A 89 14.268 2.868 1.542 1.00 0.00 H new ATOM 0 HA GLN A 89 13.920 0.974 3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.717 3.718 3.066 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.413 2.806 4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.109 2.575 4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.996 4.039 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.295 2.706 6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.476 4.161 7.441 1.00 0.00 H new ATOM 1379 N LEU A 90 11.264 1.424 1.627 1.00 0.00 N ATOM 1380 CA LEU A 90 9.976 0.821 1.267 1.00 0.00 C ATOM 1381 C LEU A 90 10.086 -0.679 0.974 1.00 0.00 C ATOM 1382 O LEU A 90 9.093 -1.383 1.144 1.00 0.00 O ATOM 1383 CB LEU A 90 9.352 1.590 0.090 1.00 0.00 C ATOM 1384 CG LEU A 90 8.441 2.760 0.521 1.00 0.00 C ATOM 1385 CD1 LEU A 90 8.826 3.467 1.827 1.00 0.00 C ATOM 1386 CD2 LEU A 90 8.388 3.829 -0.565 1.00 0.00 C ATOM 0 H LEU A 90 11.559 2.176 1.004 1.00 0.00 H new ATOM 0 HA LEU A 90 9.315 0.903 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.151 1.978 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.772 0.896 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 90 7.478 2.277 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.117 4.270 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.806 2.750 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.829 3.884 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.741 4.644 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.392 4.213 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.993 3.395 -1.484 1.00 0.00 H new ATOM 1398 N ILE A 91 11.268 -1.169 0.593 1.00 0.00 N ATOM 1399 CA ILE A 91 11.568 -2.591 0.435 1.00 0.00 C ATOM 1400 C ILE A 91 11.860 -3.237 1.806 1.00 0.00 C ATOM 1401 O ILE A 91 11.505 -4.394 2.043 1.00 0.00 O ATOM 1402 CB ILE A 91 12.733 -2.735 -0.581 1.00 0.00 C ATOM 1403 CG1 ILE A 91 12.315 -2.278 -2.001 1.00 0.00 C ATOM 1404 CG2 ILE A 91 13.331 -4.142 -0.641 1.00 0.00 C ATOM 1405 CD1 ILE A 91 13.486 -1.742 -2.835 1.00 0.00 C ATOM 0 H ILE A 91 12.065 -0.569 0.380 1.00 0.00 H new ATOM 0 HA ILE A 91 10.709 -3.130 0.035 1.00 0.00 H new ATOM 0 HB ILE A 91 13.515 -2.074 -0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.858 -3.117 -2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.553 -1.503 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.139 -4.163 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 91 13.722 -4.413 0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.559 -4.854 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 91 13.124 -1.439 -3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.929 -0.883 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.238 -2.522 -2.950 1.00 0.00 H new ATOM 1417 N ASP A 92 12.492 -2.508 2.725 1.00 0.00 N ATOM 1418 CA ASP A 92 13.061 -3.066 3.959 1.00 0.00 C ATOM 1419 C ASP A 92 12.157 -2.960 5.180 1.00 0.00 C ATOM 1420 O ASP A 92 12.175 -3.803 6.077 1.00 0.00 O ATOM 1421 CB ASP A 92 14.329 -2.307 4.303 1.00 0.00 C ATOM 1422 CG ASP A 92 15.300 -3.217 5.053 1.00 0.00 C ATOM 1423 OD1 ASP A 92 15.589 -4.315 4.522 1.00 0.00 O ATOM 1424 OD2 ASP A 92 15.805 -2.805 6.122 1.00 0.00 O ATOM 0 H ASP A 92 12.627 -1.501 2.636 1.00 0.00 H new ATOM 0 HA ASP A 92 13.223 -4.123 3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 92 14.798 -1.935 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 92 14.087 -1.438 4.915 1.00 0.00 H new ATOM 1429 N ILE A 93 11.354 -1.903 5.192 1.00 0.00 N ATOM 1430 CA ILE A 93 10.113 -1.780 5.953 1.00 0.00 C ATOM 1431 C ILE A 93 9.340 -3.067 5.699 1.00 0.00 C ATOM 1432 O ILE A 93 9.034 -3.804 6.631 1.00 0.00 O ATOM 1433 CB ILE A 93 9.316 -0.521 5.510 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.027 0.769 5.971 1.00 0.00 C ATOM 1435 CG2 ILE A 93 7.870 -0.552 6.038 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.523 2.050 5.307 1.00 0.00 C ATOM 0 H ILE A 93 11.559 -1.067 4.645 1.00 0.00 H new ATOM 0 HA ILE A 93 10.300 -1.649 7.019 1.00 0.00 H new ATOM 0 HB ILE A 93 9.276 -0.528 4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.910 0.866 7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.094 0.670 5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.343 0.344 5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.361 -1.435 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.881 -0.587 7.127 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.081 2.903 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.665 1.981 4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.463 2.180 5.525 1.00 0.00 H new ATOM 1448 N VAL A 94 9.062 -3.347 4.427 1.00 0.00 N ATOM 1449 CA VAL A 94 8.381 -4.549 4.001 1.00 0.00 C ATOM 1450 C VAL A 94 9.105 -5.782 4.537 1.00 0.00 C ATOM 1451 O VAL A 94 8.447 -6.572 5.199 1.00 0.00 O ATOM 1452 CB VAL A 94 8.196 -4.497 2.480 1.00 0.00 C ATOM 1453 CG1 VAL A 94 7.931 -5.858 1.866 1.00 0.00 C ATOM 1454 CG2 VAL A 94 7.036 -3.565 2.131 1.00 0.00 C ATOM 0 H VAL A 94 9.312 -2.728 3.656 1.00 0.00 H new ATOM 0 HA VAL A 94 7.378 -4.619 4.422 1.00 0.00 H new ATOM 0 HB VAL A 94 9.134 -4.126 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.809 -5.753 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.771 -6.521 2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.022 -6.280 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.909 -3.532 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.121 -3.935 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.250 -2.563 2.502 1.00 0.00 H new ATOM 1464 N HIS A 95 10.420 -5.924 4.338 1.00 0.00 N ATOM 1465 CA HIS A 95 11.185 -7.077 4.820 1.00 0.00 C ATOM 1466 C HIS A 95 10.964 -7.307 6.324 1.00 0.00 C ATOM 1467 O HIS A 95 10.683 -8.427 6.746 1.00 0.00 O ATOM 1468 CB HIS A 95 12.673 -6.871 4.480 1.00 0.00 C ATOM 1469 CG HIS A 95 13.559 -8.086 4.634 1.00 0.00 C ATOM 1470 ND1 HIS A 95 14.858 -8.081 5.098 1.00 0.00 N ATOM 1471 CD2 HIS A 95 13.284 -9.355 4.196 1.00 0.00 C ATOM 1472 CE1 HIS A 95 15.363 -9.313 4.916 1.00 0.00 C ATOM 1473 NE2 HIS A 95 14.440 -10.126 4.380 1.00 0.00 N ATOM 0 H HIS A 95 10.985 -5.239 3.836 1.00 0.00 H new ATOM 0 HA HIS A 95 10.834 -7.979 4.319 1.00 0.00 H new ATOM 0 HB2 HIS A 95 12.745 -6.520 3.450 1.00 0.00 H new ATOM 0 HB3 HIS A 95 13.065 -6.077 5.116 1.00 0.00 H new ATOM 0 HD2 HIS A 95 12.347 -9.699 3.784 1.00 0.00 H new ATOM 0 HE1 HIS A 95 16.371 -9.608 5.166 1.00 0.00 H new ATOM 0 HE2 HIS A 95 14.557 -11.113 4.151 1.00 0.00 H new ATOM 1481 N GLY A 96 11.044 -6.247 7.134 1.00 0.00 N ATOM 1482 CA GLY A 96 10.837 -6.325 8.573 1.00 0.00 C ATOM 1483 C GLY A 96 9.393 -6.679 8.933 1.00 0.00 C ATOM 1484 O GLY A 96 9.164 -7.435 9.882 1.00 0.00 O ATOM 0 H GLY A 96 11.256 -5.306 6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.508 -7.073 8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.099 -5.370 9.028 1.00 0.00 H new ATOM 1488 N CYS A 97 8.410 -6.141 8.215 1.00 0.00 N ATOM 1489 CA CYS A 97 6.996 -6.380 8.468 1.00 0.00 C ATOM 1490 C CYS A 97 6.587 -7.797 8.038 1.00 0.00 C ATOM 1491 O CYS A 97 5.895 -8.481 8.783 1.00 0.00 O ATOM 1492 CB CYS A 97 6.177 -5.319 7.734 1.00 0.00 C ATOM 1493 SG CYS A 97 6.426 -3.597 8.271 1.00 0.00 S ATOM 0 H CYS A 97 8.580 -5.516 7.427 1.00 0.00 H new ATOM 0 HA CYS A 97 6.803 -6.307 9.538 1.00 0.00 H new ATOM 0 HB2 CYS A 97 6.408 -5.383 6.671 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.121 -5.563 7.846 1.00 0.00 H new ATOM 1498 N GLU A 98 7.043 -8.266 6.875 1.00 0.00 N ATOM 1499 CA GLU A 98 6.849 -9.613 6.319 1.00 0.00 C ATOM 1500 C GLU A 98 7.445 -10.706 7.212 1.00 0.00 C ATOM 1501 O GLU A 98 7.074 -11.877 7.144 1.00 0.00 O ATOM 1502 CB GLU A 98 7.521 -9.664 4.934 1.00 0.00 C ATOM 1503 CG GLU A 98 6.571 -9.104 3.857 1.00 0.00 C ATOM 1504 CD GLU A 98 7.109 -8.986 2.418 1.00 0.00 C ATOM 1505 OE1 GLU A 98 8.296 -9.261 2.133 1.00 0.00 O ATOM 1506 OE2 GLU A 98 6.305 -8.578 1.545 1.00 0.00 O ATOM 0 H GLU A 98 7.596 -7.677 6.252 1.00 0.00 H new ATOM 0 HA GLU A 98 5.778 -9.803 6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.445 -9.086 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.791 -10.692 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.683 -9.736 3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.249 -8.113 4.177 1.00 0.00 H new ATOM 1513 N LYS A 99 8.399 -10.313 8.037 1.00 0.00 N ATOM 1514 CA LYS A 99 9.018 -11.070 9.113 1.00 0.00 C ATOM 1515 C LYS A 99 8.147 -11.013 10.368 1.00 0.00 C ATOM 1516 O LYS A 99 7.804 -12.067 10.913 1.00 0.00 O ATOM 1517 CB LYS A 99 10.447 -10.526 9.258 1.00 0.00 C ATOM 1518 CG LYS A 99 11.269 -10.956 10.476 1.00 0.00 C ATOM 1519 CD LYS A 99 11.168 -9.936 11.617 1.00 0.00 C ATOM 1520 CE LYS A 99 12.402 -10.025 12.517 1.00 0.00 C ATOM 1521 NZ LYS A 99 12.358 -8.979 13.553 1.00 0.00 N ATOM 0 H LYS A 99 8.795 -9.376 7.966 1.00 0.00 H new ATOM 0 HA LYS A 99 9.094 -12.138 8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.003 -10.811 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.389 -9.438 9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.921 -11.928 10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 99 12.313 -11.076 10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.079 -8.930 11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.268 -10.123 12.203 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.448 -11.008 12.985 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.306 -9.915 11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.202 -9.052 14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.336 -8.043 13.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.505 -9.102 14.135 1.00 0.00 H new ATOM 1535 N SER A 100 7.762 -9.815 10.816 1.00 0.00 N ATOM 1536 CA SER A 100 6.927 -9.613 11.999 1.00 0.00 C ATOM 1537 C SER A 100 5.598 -10.367 11.868 1.00 0.00 C ATOM 1538 O SER A 100 5.181 -11.077 12.789 1.00 0.00 O ATOM 1539 CB SER A 100 6.686 -8.109 12.226 1.00 0.00 C ATOM 1540 OG SER A 100 6.957 -7.766 13.571 1.00 0.00 O ATOM 0 H SER A 100 8.028 -8.944 10.357 1.00 0.00 H new ATOM 0 HA SER A 100 7.451 -10.015 12.866 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.323 -7.527 11.560 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.654 -7.858 11.980 1.00 0.00 H new ATOM 0 HG SER A 100 6.802 -6.807 13.702 1.00 0.00 H new ATOM 1546 N THR A 101 4.924 -10.245 10.732 1.00 0.00 N ATOM 1547 CA THR A 101 3.665 -10.923 10.469 1.00 0.00 C ATOM 1548 C THR A 101 3.984 -12.379 10.068 1.00 0.00 C ATOM 1549 O THR A 101 4.669 -12.592 9.066 1.00 0.00 O ATOM 1550 CB THR A 101 2.915 -10.097 9.410 1.00 0.00 C ATOM 1551 OG1 THR A 101 2.347 -8.982 10.077 1.00 0.00 O ATOM 1552 CG2 THR A 101 1.774 -10.829 8.721 1.00 0.00 C ATOM 0 H THR A 101 5.243 -9.663 9.957 1.00 0.00 H new ATOM 0 HA THR A 101 3.005 -10.991 11.334 1.00 0.00 H new ATOM 0 HB THR A 101 3.641 -9.843 8.638 1.00 0.00 H new ATOM 0 HG1 THR A 101 2.575 -8.161 9.594 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.305 -10.168 7.992 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.162 -11.712 8.213 1.00 0.00 H new ATOM 0 HG23 THR A 101 1.036 -11.132 9.463 1.00 0.00 H new ATOM 1560 N PRO A 102 3.554 -13.395 10.842 1.00 0.00 N ATOM 1561 CA PRO A 102 3.718 -14.797 10.467 1.00 0.00 C ATOM 1562 C PRO A 102 2.712 -15.158 9.366 1.00 0.00 C ATOM 1563 O PRO A 102 1.950 -14.303 8.918 1.00 0.00 O ATOM 1564 CB PRO A 102 3.468 -15.570 11.766 1.00 0.00 C ATOM 1565 CG PRO A 102 2.388 -14.728 12.434 1.00 0.00 C ATOM 1566 CD PRO A 102 2.776 -13.297 12.066 1.00 0.00 C ATOM 0 HA PRO A 102 4.701 -15.029 10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 102 3.131 -16.589 11.576 1.00 0.00 H new ATOM 0 HB3 PRO A 102 4.367 -15.640 12.378 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.394 -14.982 12.065 1.00 0.00 H new ATOM 0 HG3 PRO A 102 2.374 -14.875 13.514 1.00 0.00 H new ATOM 0 HD2 PRO A 102 1.891 -12.679 11.917 1.00 0.00 H new ATOM 0 HD3 PRO A 102 3.358 -12.834 12.862 1.00 0.00 H new ATOM 1574 N ALA A 103 2.671 -16.427 8.956 1.00 0.00 N ATOM 1575 CA ALA A 103 1.776 -16.883 7.901 1.00 0.00 C ATOM 1576 C ALA A 103 0.334 -16.937 8.409 1.00 0.00 C ATOM 1577 O ALA A 103 0.051 -17.740 9.301 1.00 0.00 O ATOM 1578 CB ALA A 103 2.203 -18.278 7.450 1.00 0.00 C ATOM 0 H ALA A 103 3.258 -17.163 9.348 1.00 0.00 H new ATOM 0 HA ALA A 103 1.829 -16.185 7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 103 1.537 -18.625 6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.225 -18.241 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.153 -18.965 8.295 1.00 0.00 H new ATOM 1584 N ASN A 104 -0.566 -16.142 7.822 1.00 0.00 N ATOM 1585 CA ASN A 104 -2.008 -16.354 7.970 1.00 0.00 C ATOM 1586 C ASN A 104 -2.452 -17.347 6.923 1.00 0.00 C ATOM 1587 O ASN A 104 -1.993 -17.260 5.779 1.00 0.00 O ATOM 1588 CB ASN A 104 -2.848 -15.089 7.756 1.00 0.00 C ATOM 1589 CG ASN A 104 -4.135 -15.211 8.562 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -4.167 -14.986 9.764 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -5.214 -15.657 7.953 1.00 0.00 N ATOM 0 H ASN A 104 -0.319 -15.343 7.238 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.164 -16.696 8.993 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.289 -14.207 8.069 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.076 -14.962 6.698 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -6.071 -15.813 8.483 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.193 -15.846 6.951 1.00 0.00 H new ATOM 1598 N ASP A 105 -3.472 -18.138 7.240 1.00 0.00 N ATOM 1599 CA ASP A 105 -4.178 -18.967 6.271 1.00 0.00 C ATOM 1600 C ASP A 105 -5.046 -18.151 5.300 1.00 0.00 C ATOM 1601 O ASP A 105 -5.928 -18.698 4.644 1.00 0.00 O ATOM 1602 CB ASP A 105 -4.923 -20.109 6.934 1.00 0.00 C ATOM 1603 CG ASP A 105 -5.248 -21.258 5.966 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -4.402 -21.556 5.085 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -6.321 -21.887 6.099 1.00 0.00 O ATOM 0 H ASP A 105 -3.836 -18.222 8.189 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.416 -19.429 5.644 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.325 -20.495 7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -5.850 -19.730 7.363 1.00 0.00 H new ATOM 1610 N ASP A 106 -4.847 -16.829 5.211 1.00 0.00 N ATOM 1611 CA ASP A 106 -5.377 -16.030 4.124 1.00 0.00 C ATOM 1612 C ASP A 106 -4.335 -15.011 3.699 1.00 0.00 C ATOM 1613 O ASP A 106 -3.919 -14.174 4.501 1.00 0.00 O ATOM 1614 CB ASP A 106 -6.669 -15.336 4.542 1.00 0.00 C ATOM 1615 CG ASP A 106 -7.368 -14.673 3.337 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -6.773 -14.649 2.235 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -8.487 -14.138 3.472 1.00 0.00 O ATOM 0 H ASP A 106 -4.313 -16.294 5.896 1.00 0.00 H new ATOM 0 HA ASP A 106 -5.609 -16.681 3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.341 -16.061 5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.450 -14.582 5.298 1.00 0.00 H new ATOM 1622 N LYS A 107 -3.944 -15.051 2.431 1.00 0.00 N ATOM 1623 CA LYS A 107 -3.067 -14.105 1.779 1.00 0.00 C ATOM 1624 C LYS A 107 -3.476 -12.654 1.986 1.00 0.00 C ATOM 1625 O LYS A 107 -2.600 -11.792 2.062 1.00 0.00 O ATOM 1626 CB LYS A 107 -3.062 -14.428 0.273 1.00 0.00 C ATOM 1627 CG LYS A 107 -1.654 -14.302 -0.291 1.00 0.00 C ATOM 1628 CD LYS A 107 -0.829 -15.559 -0.018 1.00 0.00 C ATOM 1629 CE LYS A 107 0.480 -15.516 -0.808 1.00 0.00 C ATOM 1630 NZ LYS A 107 1.110 -16.847 -0.848 1.00 0.00 N ATOM 0 H LYS A 107 -4.252 -15.790 1.800 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.077 -14.206 2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.437 -15.438 0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.734 -13.750 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.705 -14.125 -1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.159 -13.437 0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.616 -15.638 1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.400 -16.445 -0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.286 -15.170 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.162 -14.799 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.135 -16.750 -0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.708 -17.444 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.933 -17.287 -1.773 1.00 0.00 H new ATOM 1644 N CYS A 108 -4.775 -12.377 2.121 1.00 0.00 N ATOM 1645 CA CYS A 108 -5.221 -11.019 2.350 1.00 0.00 C ATOM 1646 C CYS A 108 -4.749 -10.650 3.738 1.00 0.00 C ATOM 1647 O CYS A 108 -4.108 -9.628 3.921 1.00 0.00 O ATOM 1648 CB CYS A 108 -6.740 -10.837 2.283 1.00 0.00 C ATOM 1649 SG CYS A 108 -7.562 -11.207 0.721 1.00 0.00 S ATOM 0 H CYS A 108 -5.521 -13.071 2.075 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.812 -10.386 1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -7.187 -11.465 3.054 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -6.965 -9.803 2.544 1.00 0.00 H new ATOM 1654 N ILE A 109 -5.081 -11.469 4.736 1.00 0.00 N ATOM 1655 CA ILE A 109 -4.836 -11.128 6.130 1.00 0.00 C ATOM 1656 C ILE A 109 -3.330 -11.067 6.377 1.00 0.00 C ATOM 1657 O ILE A 109 -2.876 -10.243 7.173 1.00 0.00 O ATOM 1658 CB ILE A 109 -5.596 -12.088 7.061 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -7.096 -11.739 7.139 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -5.078 -12.043 8.505 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -7.849 -11.628 5.812 1.00 0.00 C ATOM 0 H ILE A 109 -5.523 -12.378 4.599 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.228 -10.137 6.361 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.438 -13.075 6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.590 -12.497 7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.197 -10.791 7.667 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -5.650 -12.740 9.118 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -4.025 -12.324 8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -5.191 -11.034 8.901 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.892 -11.379 6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.397 -10.847 5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.795 -12.579 5.283 1.00 0.00 H new ATOM 1673 N TRP A 110 -2.572 -11.890 5.649 1.00 0.00 N ATOM 1674 CA TRP A 110 -1.126 -11.815 5.658 1.00 0.00 C ATOM 1675 C TRP A 110 -0.686 -10.431 5.160 1.00 0.00 C ATOM 1676 O TRP A 110 -0.007 -9.710 5.889 1.00 0.00 O ATOM 1677 CB TRP A 110 -0.570 -12.982 4.838 1.00 0.00 C ATOM 1678 CG TRP A 110 0.916 -13.041 4.796 1.00 0.00 C ATOM 1679 CD1 TRP A 110 1.715 -13.491 5.785 1.00 0.00 C ATOM 1680 CD2 TRP A 110 1.807 -12.554 3.756 1.00 0.00 C ATOM 1681 NE1 TRP A 110 3.037 -13.321 5.433 1.00 0.00 N ATOM 1682 CE2 TRP A 110 3.150 -12.699 4.210 1.00 0.00 C ATOM 1683 CE3 TRP A 110 1.606 -11.954 2.497 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 4.243 -12.234 3.471 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 2.696 -11.501 1.738 1.00 0.00 C ATOM 1686 CH2 TRP A 110 4.010 -11.629 2.228 1.00 0.00 C ATOM 0 H TRP A 110 -2.949 -12.619 5.044 1.00 0.00 H new ATOM 0 HA TRP A 110 -0.721 -11.916 6.665 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.948 -13.916 5.253 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.949 -12.909 3.819 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.371 -13.920 6.714 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.828 -13.617 6.004 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.603 -11.842 2.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.248 -12.339 3.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 2.526 -11.051 0.771 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.841 -11.260 1.645 1.00 0.00 H new ATOM 1697 N THR A 111 -1.152 -10.021 3.977 1.00 0.00 N ATOM 1698 CA THR A 111 -0.845 -8.724 3.380 1.00 0.00 C ATOM 1699 C THR A 111 -1.209 -7.598 4.354 1.00 0.00 C ATOM 1700 O THR A 111 -0.365 -6.794 4.711 1.00 0.00 O ATOM 1701 CB THR A 111 -1.572 -8.583 2.030 1.00 0.00 C ATOM 1702 OG1 THR A 111 -1.169 -9.619 1.157 1.00 0.00 O ATOM 1703 CG2 THR A 111 -1.265 -7.231 1.385 1.00 0.00 C ATOM 0 H THR A 111 -1.765 -10.595 3.398 1.00 0.00 H new ATOM 0 HA THR A 111 0.225 -8.652 3.185 1.00 0.00 H new ATOM 0 HB THR A 111 -2.645 -8.650 2.212 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.629 -10.449 1.401 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.790 -7.155 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 111 -1.594 -6.429 2.046 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.192 -7.144 1.216 1.00 0.00 H new ATOM 1711 N LEU A 112 -2.456 -7.537 4.815 1.00 0.00 N ATOM 1712 CA LEU A 112 -2.997 -6.632 5.811 1.00 0.00 C ATOM 1713 C LEU A 112 -2.054 -6.432 7.002 1.00 0.00 C ATOM 1714 O LEU A 112 -1.705 -5.292 7.289 1.00 0.00 O ATOM 1715 CB LEU A 112 -4.402 -7.102 6.212 1.00 0.00 C ATOM 1716 CG LEU A 112 -5.558 -6.494 5.385 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -5.480 -4.990 5.115 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -5.809 -7.269 4.102 1.00 0.00 C ATOM 0 H LEU A 112 -3.170 -8.177 4.468 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.088 -5.638 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -4.444 -8.188 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.562 -6.862 7.263 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.419 -6.602 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.344 -4.681 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.473 -4.450 6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.567 -4.766 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.629 -6.807 3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.909 -7.257 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.069 -8.299 4.344 1.00 0.00 H new ATOM 1730 N GLY A 113 -1.580 -7.497 7.657 1.00 0.00 N ATOM 1731 CA GLY A 113 -0.621 -7.361 8.757 1.00 0.00 C ATOM 1732 C GLY A 113 0.624 -6.572 8.337 1.00 0.00 C ATOM 1733 O GLY A 113 1.055 -5.633 9.016 1.00 0.00 O ATOM 0 H GLY A 113 -1.844 -8.459 7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.102 -6.860 9.597 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -0.324 -8.351 9.103 1.00 0.00 H new ATOM 1737 N VAL A 114 1.201 -6.924 7.189 1.00 0.00 N ATOM 1738 CA VAL A 114 2.349 -6.230 6.618 1.00 0.00 C ATOM 1739 C VAL A 114 1.992 -4.769 6.278 1.00 0.00 C ATOM 1740 O VAL A 114 2.793 -3.855 6.502 1.00 0.00 O ATOM 1741 CB VAL A 114 2.840 -7.029 5.389 1.00 0.00 C ATOM 1742 CG1 VAL A 114 4.011 -6.322 4.724 1.00 0.00 C ATOM 1743 CG2 VAL A 114 3.275 -8.453 5.769 1.00 0.00 C ATOM 0 H VAL A 114 0.878 -7.710 6.624 1.00 0.00 H new ATOM 0 HA VAL A 114 3.162 -6.177 7.342 1.00 0.00 H new ATOM 0 HB VAL A 114 2.000 -7.092 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 114 4.342 -6.900 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 114 3.699 -5.330 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.832 -6.229 5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 114 3.613 -8.980 4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.089 -8.404 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.432 -8.986 6.208 1.00 0.00 H new ATOM 1753 N ALA A 115 0.790 -4.544 5.749 1.00 0.00 N ATOM 1754 CA ALA A 115 0.270 -3.299 5.207 1.00 0.00 C ATOM 1755 C ALA A 115 0.071 -2.265 6.323 1.00 0.00 C ATOM 1756 O ALA A 115 0.295 -1.071 6.119 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.052 -3.614 4.474 1.00 0.00 C ATOM 0 H ALA A 115 0.101 -5.294 5.686 1.00 0.00 H new ATOM 0 HA ALA A 115 0.978 -2.864 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.465 -2.695 4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -0.862 -4.324 3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.764 -4.045 5.178 1.00 0.00 H new ATOM 1763 N THR A 116 -0.292 -2.718 7.522 1.00 0.00 N ATOM 1764 CA THR A 116 -0.465 -1.828 8.673 1.00 0.00 C ATOM 1765 C THR A 116 0.912 -1.343 9.141 1.00 0.00 C ATOM 1766 O THR A 116 1.131 -0.144 9.336 1.00 0.00 O ATOM 1767 CB THR A 116 -1.221 -2.536 9.819 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.275 -3.355 9.357 1.00 0.00 O ATOM 1769 CG2 THR A 116 -1.855 -1.528 10.778 1.00 0.00 C ATOM 0 H THR A 116 -0.473 -3.701 7.724 1.00 0.00 H new ATOM 0 HA THR A 116 -1.068 -0.971 8.374 1.00 0.00 H new ATOM 0 HB THR A 116 -0.464 -3.142 10.317 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.913 -4.061 8.782 1.00 0.00 H new ATOM 0 HG21 THR A 116 -2.379 -2.061 11.572 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.077 -0.901 11.214 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.562 -0.902 10.233 1.00 0.00 H new ATOM 1777 N CYS A 117 1.851 -2.282 9.285 1.00 0.00 N ATOM 1778 CA CYS A 117 3.230 -2.044 9.690 1.00 0.00 C ATOM 1779 C CYS A 117 3.937 -1.104 8.702 1.00 0.00 C ATOM 1780 O CYS A 117 4.681 -0.216 9.117 1.00 0.00 O ATOM 1781 CB CYS A 117 3.883 -3.424 9.824 1.00 0.00 C ATOM 1782 SG CYS A 117 5.660 -3.515 10.149 1.00 0.00 S ATOM 0 H CYS A 117 1.658 -3.269 9.114 1.00 0.00 H new ATOM 0 HA CYS A 117 3.299 -1.526 10.646 1.00 0.00 H new ATOM 0 HB2 CYS A 117 3.372 -3.955 10.627 1.00 0.00 H new ATOM 0 HB3 CYS A 117 3.687 -3.974 8.903 1.00 0.00 H new ATOM 1787 N PHE A 118 3.642 -1.226 7.403 1.00 0.00 N ATOM 1788 CA PHE A 118 4.127 -0.313 6.368 1.00 0.00 C ATOM 1789 C PHE A 118 3.820 1.138 6.732 1.00 0.00 C ATOM 1790 O PHE A 118 4.707 1.996 6.782 1.00 0.00 O ATOM 1791 CB PHE A 118 3.482 -0.644 5.015 1.00 0.00 C ATOM 1792 CG PHE A 118 4.004 0.186 3.862 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.266 -0.091 3.306 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.214 1.221 3.329 1.00 0.00 C ATOM 1795 CE1 PHE A 118 5.727 0.652 2.205 1.00 0.00 C ATOM 1796 CE2 PHE A 118 3.669 1.959 2.226 1.00 0.00 C ATOM 1797 CZ PHE A 118 4.918 1.664 1.657 1.00 0.00 C ATOM 0 H PHE A 118 3.051 -1.973 7.038 1.00 0.00 H new ATOM 0 HA PHE A 118 5.207 -0.438 6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.648 -1.698 4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.404 -0.500 5.093 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.881 -0.874 3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.255 1.448 3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.699 0.446 1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.060 2.751 1.816 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.259 2.217 0.794 1.00 0.00 H new ATOM 1807 N LYS A 119 2.540 1.421 6.981 1.00 0.00 N ATOM 1808 CA LYS A 119 2.096 2.765 7.304 1.00 0.00 C ATOM 1809 C LYS A 119 2.639 3.230 8.656 1.00 0.00 C ATOM 1810 O LYS A 119 2.894 4.425 8.804 1.00 0.00 O ATOM 1811 CB LYS A 119 0.561 2.821 7.235 1.00 0.00 C ATOM 1812 CG LYS A 119 0.020 2.788 5.792 1.00 0.00 C ATOM 1813 CD LYS A 119 0.469 3.999 4.961 1.00 0.00 C ATOM 1814 CE LYS A 119 -0.391 4.168 3.709 1.00 0.00 C ATOM 1815 NZ LYS A 119 -0.089 5.423 2.986 1.00 0.00 N ATOM 0 H LYS A 119 1.793 0.727 6.963 1.00 0.00 H new ATOM 0 HA LYS A 119 2.498 3.462 6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.147 1.980 7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.214 3.730 7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 119 0.356 1.873 5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.069 2.754 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 119 0.409 4.901 5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 119 1.513 3.877 4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.230 3.320 3.043 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.444 4.158 3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.696 5.494 2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.267 6.235 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.909 5.424 2.693 1.00 0.00 H new ATOM 1829 N ALA A 120 2.880 2.322 9.606 1.00 0.00 N ATOM 1830 CA ALA A 120 3.465 2.669 10.896 1.00 0.00 C ATOM 1831 C ALA A 120 4.870 3.237 10.715 1.00 0.00 C ATOM 1832 O ALA A 120 5.194 4.276 11.299 1.00 0.00 O ATOM 1833 CB ALA A 120 3.473 1.455 11.831 1.00 0.00 C ATOM 0 H ALA A 120 2.674 1.329 9.499 1.00 0.00 H new ATOM 0 HA ALA A 120 2.849 3.441 11.357 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.913 1.736 12.788 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.451 1.111 11.989 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.060 0.654 11.382 1.00 0.00 H new ATOM 1839 N GLU A 121 5.687 2.591 9.880 1.00 0.00 N ATOM 1840 CA GLU A 121 7.001 3.094 9.510 1.00 0.00 C ATOM 1841 C GLU A 121 6.862 4.449 8.817 1.00 0.00 C ATOM 1842 O GLU A 121 7.467 5.414 9.267 1.00 0.00 O ATOM 1843 CB GLU A 121 7.743 2.071 8.640 1.00 0.00 C ATOM 1844 CG GLU A 121 8.573 1.105 9.499 1.00 0.00 C ATOM 1845 CD GLU A 121 9.882 1.733 9.989 1.00 0.00 C ATOM 1846 OE1 GLU A 121 10.723 2.152 9.159 1.00 0.00 O ATOM 1847 OE2 GLU A 121 10.121 1.732 11.212 1.00 0.00 O ATOM 0 H GLU A 121 5.450 1.701 9.442 1.00 0.00 H new ATOM 0 HA GLU A 121 7.600 3.242 10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.024 1.507 8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.396 2.592 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.982 0.788 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.798 0.210 8.919 1.00 0.00 H new ATOM 1854 N ILE A 122 6.030 4.577 7.778 1.00 0.00 N ATOM 1855 CA ILE A 122 5.905 5.841 7.031 1.00 0.00 C ATOM 1856 C ILE A 122 5.461 7.012 7.929 1.00 0.00 C ATOM 1857 O ILE A 122 5.804 8.168 7.665 1.00 0.00 O ATOM 1858 CB ILE A 122 4.984 5.625 5.798 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.650 4.756 4.716 1.00 0.00 C ATOM 1860 CG2 ILE A 122 4.388 6.898 5.167 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.790 5.489 4.044 1.00 0.00 C ATOM 0 H ILE A 122 5.433 3.825 7.433 1.00 0.00 H new ATOM 0 HA ILE A 122 6.889 6.134 6.665 1.00 0.00 H new ATOM 0 HB ILE A 122 4.134 5.091 6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 122 6.022 3.835 5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.909 4.470 3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.764 6.624 4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.783 7.422 5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 122 5.195 7.549 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.238 4.847 3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.412 6.397 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.542 5.752 4.788 1.00 0.00 H new ATOM 1873 N HIS A 123 4.751 6.705 9.013 1.00 0.00 N ATOM 1874 CA HIS A 123 4.256 7.660 9.989 1.00 0.00 C ATOM 1875 C HIS A 123 5.430 8.136 10.835 1.00 0.00 C ATOM 1876 O HIS A 123 5.673 9.337 10.877 1.00 0.00 O ATOM 1877 CB HIS A 123 3.127 7.034 10.829 1.00 0.00 C ATOM 1878 CG HIS A 123 2.354 7.984 11.718 1.00 0.00 C ATOM 1879 ND1 HIS A 123 0.984 7.964 11.894 1.00 0.00 N ATOM 1880 CD2 HIS A 123 2.856 8.970 12.529 1.00 0.00 C ATOM 1881 CE1 HIS A 123 0.667 8.918 12.781 1.00 0.00 C ATOM 1882 NE2 HIS A 123 1.772 9.566 13.180 1.00 0.00 N ATOM 0 H HIS A 123 4.497 5.743 9.240 1.00 0.00 H new ATOM 0 HA HIS A 123 3.819 8.527 9.494 1.00 0.00 H new ATOM 0 HB2 HIS A 123 2.424 6.549 10.152 1.00 0.00 H new ATOM 0 HB3 HIS A 123 3.558 6.252 11.455 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.896 9.237 12.643 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -0.334 9.134 13.125 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.813 10.347 13.835 1.00 0.00 H new ATOM 1890 N LYS A 124 6.167 7.234 11.503 1.00 0.00 N ATOM 1891 CA LYS A 124 7.311 7.649 12.324 1.00 0.00 C ATOM 1892 C LYS A 124 8.375 8.347 11.479 1.00 0.00 C ATOM 1893 O LYS A 124 9.012 9.277 11.963 1.00 0.00 O ATOM 1894 CB LYS A 124 7.924 6.483 13.122 1.00 0.00 C ATOM 1895 CG LYS A 124 8.492 5.348 12.252 1.00 0.00 C ATOM 1896 CD LYS A 124 9.725 4.649 12.815 1.00 0.00 C ATOM 1897 CE LYS A 124 9.366 3.340 13.510 1.00 0.00 C ATOM 1898 NZ LYS A 124 10.599 2.630 13.893 1.00 0.00 N ATOM 0 H LYS A 124 5.994 6.229 11.491 1.00 0.00 H new ATOM 0 HA LYS A 124 6.925 8.363 13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.721 6.872 13.756 1.00 0.00 H new ATOM 0 HB3 LYS A 124 7.162 6.071 13.784 1.00 0.00 H new ATOM 0 HG2 LYS A 124 7.711 4.604 12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 124 8.741 5.754 11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 124 10.430 4.451 12.008 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.227 5.310 13.522 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.760 3.540 14.394 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.766 2.717 12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.405 2.013 14.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 10.931 2.054 13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.332 3.321 14.149 1.00 0.00 H new ATOM 1912 N LEU A 125 8.530 7.934 10.215 1.00 0.00 N ATOM 1913 CA LEU A 125 9.463 8.509 9.259 1.00 0.00 C ATOM 1914 C LEU A 125 9.059 9.935 8.889 1.00 0.00 C ATOM 1915 O LEU A 125 9.861 10.679 8.321 1.00 0.00 O ATOM 1916 CB LEU A 125 9.505 7.589 8.027 1.00 0.00 C ATOM 1917 CG LEU A 125 10.390 6.342 8.257 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.144 5.300 7.163 1.00 0.00 C ATOM 1919 CD2 LEU A 125 11.888 6.674 8.269 1.00 0.00 C ATOM 0 H LEU A 125 7.987 7.164 9.824 1.00 0.00 H new ATOM 0 HA LEU A 125 10.459 8.577 9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.492 7.272 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 125 9.884 8.148 7.171 1.00 0.00 H new ATOM 0 HG LEU A 125 10.112 5.951 9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.775 4.429 7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.097 4.998 7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.384 5.730 6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.462 5.762 8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 125 12.171 7.112 7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 125 12.097 7.384 9.069 1.00 0.00 H new ATOM 1931 N ASN A 126 7.840 10.347 9.247 1.00 0.00 N ATOM 1932 CA ASN A 126 7.235 11.643 8.985 1.00 0.00 C ATOM 1933 C ASN A 126 6.977 11.864 7.491 1.00 0.00 C ATOM 1934 O ASN A 126 6.700 12.976 7.050 1.00 0.00 O ATOM 1935 CB ASN A 126 8.051 12.757 9.655 1.00 0.00 C ATOM 1936 CG ASN A 126 7.210 14.003 9.818 1.00 0.00 C ATOM 1937 OD1 ASN A 126 6.300 14.014 10.642 1.00 0.00 O ATOM 1938 ND2 ASN A 126 7.510 15.057 9.084 1.00 0.00 N ATOM 0 H ASN A 126 7.210 9.735 9.765 1.00 0.00 H new ATOM 0 HA ASN A 126 6.245 11.670 9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.406 12.421 10.629 1.00 0.00 H new ATOM 0 HB3 ASN A 126 8.933 12.982 9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 126 6.978 15.921 9.191 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.274 15.008 8.410 1.00 0.00 H new ATOM 1945 N TRP A 127 7.022 10.811 6.671 1.00 0.00 N ATOM 1946 CA TRP A 127 6.738 10.880 5.240 1.00 0.00 C ATOM 1947 C TRP A 127 5.216 10.770 5.024 1.00 0.00 C ATOM 1948 O TRP A 127 4.749 10.148 4.061 1.00 0.00 O ATOM 1949 CB TRP A 127 7.521 9.766 4.524 1.00 0.00 C ATOM 1950 CG TRP A 127 9.013 9.680 4.714 1.00 0.00 C ATOM 1951 CD1 TRP A 127 9.835 10.611 5.254 1.00 0.00 C ATOM 1952 CD2 TRP A 127 9.881 8.554 4.382 1.00 0.00 C ATOM 1953 NE1 TRP A 127 11.135 10.136 5.281 1.00 0.00 N ATOM 1954 CE2 TRP A 127 11.223 8.875 4.736 1.00 0.00 C ATOM 1955 CE3 TRP A 127 9.656 7.277 3.834 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 12.284 7.979 4.537 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 10.710 6.371 3.611 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.024 6.721 3.968 1.00 0.00 C ATOM 0 H TRP A 127 7.261 9.872 6.990 1.00 0.00 H new ATOM 0 HA TRP A 127 7.059 11.832 4.817 1.00 0.00 H new ATOM 0 HB2 TRP A 127 7.095 8.812 4.836 1.00 0.00 H new ATOM 0 HB3 TRP A 127 7.331 9.866 3.455 1.00 0.00 H new ATOM 0 HD1 TRP A 127 9.522 11.581 5.611 1.00 0.00 H new ATOM 0 HE1 TRP A 127 11.928 10.655 5.657 1.00 0.00 H new ATOM 0 HE3 TRP A 127 8.648 6.985 3.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 13.290 8.253 4.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.509 5.408 3.166 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.833 6.024 3.805 1.00 0.00 H new ATOM 1969 N ALA A 128 4.433 11.383 5.916 1.00 0.00 N ATOM 1970 CA ALA A 128 3.009 11.162 6.126 1.00 0.00 C ATOM 1971 C ALA A 128 2.274 12.511 6.066 1.00 0.00 C ATOM 1972 O ALA A 128 2.104 13.174 7.097 1.00 0.00 O ATOM 1973 CB ALA A 128 2.810 10.451 7.471 1.00 0.00 C ATOM 0 H ALA A 128 4.806 12.091 6.549 1.00 0.00 H new ATOM 0 HA ALA A 128 2.592 10.525 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.747 10.280 7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.333 9.495 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.209 11.072 8.273 1.00 0.00 H new ATOM 1979 N PRO A 129 1.890 12.983 4.870 1.00 0.00 N ATOM 1980 CA PRO A 129 1.258 14.283 4.700 1.00 0.00 C ATOM 1981 C PRO A 129 -0.215 14.271 5.145 1.00 0.00 C ATOM 1982 O PRO A 129 -0.718 13.252 5.624 1.00 0.00 O ATOM 1983 CB PRO A 129 1.432 14.613 3.217 1.00 0.00 C ATOM 1984 CG PRO A 129 1.354 13.236 2.570 1.00 0.00 C ATOM 1985 CD PRO A 129 2.049 12.328 3.583 1.00 0.00 C ATOM 0 HA PRO A 129 1.714 15.047 5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 129 0.649 15.279 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 129 2.385 15.103 3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 129 0.322 12.931 2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 129 1.857 13.218 1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 129 1.601 11.335 3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 129 3.103 12.200 3.336 1.00 0.00 H new ATOM 1993 N SER A 130 -0.902 15.403 4.969 1.00 0.00 N ATOM 1994 CA SER A 130 -2.316 15.575 5.286 1.00 0.00 C ATOM 1995 C SER A 130 -3.102 15.869 4.006 1.00 0.00 C ATOM 1996 O SER A 130 -4.019 15.118 3.673 1.00 0.00 O ATOM 1997 CB SER A 130 -2.466 16.693 6.321 1.00 0.00 C ATOM 1998 OG SER A 130 -1.771 16.364 7.513 1.00 0.00 O ATOM 0 H SER A 130 -0.474 16.248 4.591 1.00 0.00 H new ATOM 0 HA SER A 130 -2.723 14.659 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 130 -2.080 17.627 5.914 1.00 0.00 H new ATOM 0 HB3 SER A 130 -3.521 16.854 6.541 1.00 0.00 H new ATOM 0 HG SER A 130 -1.875 17.090 8.163 1.00 0.00 H new ATOM 2004 N MET A 131 -2.724 16.920 3.265 1.00 0.00 N ATOM 2005 CA MET A 131 -3.299 17.225 1.958 1.00 0.00 C ATOM 2006 C MET A 131 -2.988 16.078 1.002 1.00 0.00 C ATOM 2007 O MET A 131 -3.910 15.455 0.482 1.00 0.00 O ATOM 2008 CB MET A 131 -2.743 18.553 1.412 1.00 0.00 C ATOM 2009 CG MET A 131 -3.459 19.764 2.011 1.00 0.00 C ATOM 2010 SD MET A 131 -2.441 21.257 2.181 1.00 0.00 S ATOM 2011 CE MET A 131 -2.368 21.386 3.991 1.00 0.00 C ATOM 0 H MET A 131 -2.007 17.582 3.561 1.00 0.00 H new ATOM 0 HA MET A 131 -4.379 17.336 2.055 1.00 0.00 H new ATOM 0 HB2 MET A 131 -1.677 18.617 1.631 1.00 0.00 H new ATOM 0 HB3 MET A 131 -2.847 18.571 0.327 1.00 0.00 H new ATOM 0 HG2 MET A 131 -4.322 20.001 1.388 1.00 0.00 H new ATOM 0 HG3 MET A 131 -3.841 19.490 2.994 1.00 0.00 H new ATOM 0 HE1 MET A 131 -1.775 22.257 4.270 1.00 0.00 H new ATOM 0 HE2 MET A 131 -3.377 21.491 4.389 1.00 0.00 H new ATOM 0 HE3 MET A 131 -1.907 20.487 4.402 1.00 0.00 H new ATOM 2021 N ASP A 132 -1.692 15.837 0.781 1.00 0.00 N ATOM 2022 CA ASP A 132 -1.169 15.026 -0.311 1.00 0.00 C ATOM 2023 C ASP A 132 -1.728 13.602 -0.279 1.00 0.00 C ATOM 2024 O ASP A 132 -1.310 12.758 0.529 1.00 0.00 O ATOM 2025 CB ASP A 132 0.377 15.036 -0.301 1.00 0.00 C ATOM 2026 CG ASP A 132 1.034 15.751 -1.480 1.00 0.00 C ATOM 2027 OD1 ASP A 132 0.353 16.435 -2.275 1.00 0.00 O ATOM 2028 OD2 ASP A 132 2.275 15.594 -1.613 1.00 0.00 O ATOM 0 H ASP A 132 -0.958 16.216 1.380 1.00 0.00 H new ATOM 0 HA ASP A 132 -1.502 15.470 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 132 0.715 15.507 0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.730 14.005 -0.280 1.00 0.00 H new ATOM 2033 N VAL A 133 -2.655 13.332 -1.196 1.00 0.00 N ATOM 2034 CA VAL A 133 -3.120 12.033 -1.601 1.00 0.00 C ATOM 2035 C VAL A 133 -1.911 11.161 -1.906 1.00 0.00 C ATOM 2036 O VAL A 133 -0.930 11.558 -2.545 1.00 0.00 O ATOM 2037 CB VAL A 133 -4.103 12.157 -2.785 1.00 0.00 C ATOM 2038 CG1 VAL A 133 -5.431 12.723 -2.271 1.00 0.00 C ATOM 2039 CG2 VAL A 133 -3.601 13.029 -3.951 1.00 0.00 C ATOM 0 H VAL A 133 -3.127 14.079 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 133 -3.682 11.553 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.216 11.152 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.133 12.815 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.845 12.053 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.261 13.705 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -4.357 13.058 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.411 14.041 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.679 12.606 -4.351 1.00 0.00 H new ATOM 2049 N ALA A 134 -1.961 9.983 -1.317 1.00 0.00 N ATOM 2050 CA ALA A 134 -0.989 8.917 -1.529 1.00 0.00 C ATOM 2051 C ALA A 134 -1.431 7.999 -2.666 1.00 0.00 C ATOM 2052 O ALA A 134 -0.583 7.418 -3.353 1.00 0.00 O ATOM 2053 CB ALA A 134 -0.823 8.130 -0.231 1.00 0.00 C ATOM 0 H ALA A 134 -2.697 9.729 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 134 -0.031 9.353 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -0.098 7.330 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -0.471 8.797 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -1.782 7.700 0.059 1.00 0.00 H new ATOM 2059 N VAL A 135 -2.743 7.878 -2.851 1.00 0.00 N ATOM 2060 CA VAL A 135 -3.443 7.068 -3.830 1.00 0.00 C ATOM 2061 C VAL A 135 -4.119 8.093 -4.757 1.00 0.00 C ATOM 2062 O VAL A 135 -3.577 9.182 -4.983 1.00 0.00 O ATOM 2063 CB VAL A 135 -4.356 6.030 -3.100 1.00 0.00 C ATOM 2064 CG1 VAL A 135 -4.747 4.857 -4.017 1.00 0.00 C ATOM 2065 CG2 VAL A 135 -3.704 5.414 -1.850 1.00 0.00 C ATOM 0 H VAL A 135 -3.398 8.394 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.821 6.423 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 135 -5.232 6.609 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -5.381 4.161 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -5.290 5.237 -4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -3.847 4.341 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -4.393 4.703 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -2.787 4.899 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -3.470 6.203 -1.135 1.00 0.00 H new ATOM 2075 N GLY A 136 -5.246 7.752 -5.365 1.00 0.00 N ATOM 2076 CA GLY A 136 -6.025 8.693 -6.148 1.00 0.00 C ATOM 2077 C GLY A 136 -6.659 9.770 -5.276 1.00 0.00 C ATOM 2078 O GLY A 136 -6.574 9.750 -4.041 1.00 0.00 O ATOM 0 H GLY A 136 -5.644 6.814 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -5.384 9.161 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -6.806 8.157 -6.688 1.00 0.00 H new ATOM 2082 N GLU A 137 -7.328 10.689 -5.957 1.00 0.00 N ATOM 2083 CA GLU A 137 -8.330 11.588 -5.424 1.00 0.00 C ATOM 2084 C GLU A 137 -9.650 11.184 -6.093 1.00 0.00 C ATOM 2085 O GLU A 137 -9.720 10.120 -6.707 1.00 0.00 O ATOM 2086 CB GLU A 137 -7.911 13.052 -5.648 1.00 0.00 C ATOM 2087 CG GLU A 137 -7.689 13.388 -7.127 1.00 0.00 C ATOM 2088 CD GLU A 137 -7.124 14.792 -7.345 1.00 0.00 C ATOM 2089 OE1 GLU A 137 -6.069 15.148 -6.762 1.00 0.00 O ATOM 2090 OE2 GLU A 137 -7.673 15.548 -8.176 1.00 0.00 O ATOM 0 H GLU A 137 -7.173 10.832 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 137 -8.448 11.512 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -8.679 13.711 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -6.994 13.251 -5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -7.007 12.657 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -8.635 13.297 -7.660 1.00 0.00 H new ATOM 2097 N ILE A 138 -10.671 12.024 -5.951 1.00 0.00 N ATOM 2098 CA ILE A 138 -12.042 11.927 -6.439 1.00 0.00 C ATOM 2099 C ILE A 138 -12.495 10.479 -6.631 1.00 0.00 C ATOM 2100 O ILE A 138 -12.457 9.943 -7.743 1.00 0.00 O ATOM 2101 CB ILE A 138 -12.190 12.780 -7.715 1.00 0.00 C ATOM 2102 CG1 ILE A 138 -11.630 14.211 -7.549 1.00 0.00 C ATOM 2103 CG2 ILE A 138 -13.655 12.817 -8.201 1.00 0.00 C ATOM 2104 CD1 ILE A 138 -12.163 14.972 -6.329 1.00 0.00 C ATOM 0 H ILE A 138 -10.541 12.891 -5.429 1.00 0.00 H new ATOM 0 HA ILE A 138 -12.714 12.328 -5.680 1.00 0.00 H new ATOM 0 HB ILE A 138 -11.586 12.291 -8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -10.544 14.155 -7.479 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -11.862 14.784 -8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -13.724 13.427 -9.102 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -13.991 11.804 -8.422 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -14.286 13.247 -7.423 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -11.715 15.965 -6.295 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -13.246 15.065 -6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -11.907 14.427 -5.420 1.00 0.00 H new ATOM 2116 N LEU A 139 -12.953 9.846 -5.550 1.00 0.00 N ATOM 2117 CA LEU A 139 -13.577 8.535 -5.652 1.00 0.00 C ATOM 2118 C LEU A 139 -14.813 8.647 -6.554 1.00 0.00 C ATOM 2119 O LEU A 139 -15.689 9.503 -6.356 1.00 0.00 O ATOM 2120 CB LEU A 139 -13.768 7.864 -4.276 1.00 0.00 C ATOM 2121 CG LEU A 139 -14.967 8.184 -3.363 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -15.138 9.680 -3.074 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -16.271 7.546 -3.849 1.00 0.00 C ATOM 0 H LEU A 139 -12.902 10.220 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 139 -12.916 7.823 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -13.788 6.789 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -12.869 8.076 -3.697 1.00 0.00 H new ATOM 0 HG LEU A 139 -14.722 7.719 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -16.001 9.829 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -14.244 10.060 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -15.291 10.216 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -17.080 7.806 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -16.506 7.914 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -16.157 6.462 -3.880 1.00 0.00 H new ATOM 2135 N ALA A 140 -14.828 7.873 -7.636 1.00 0.00 N ATOM 2136 CA ALA A 140 -15.952 7.776 -8.547 1.00 0.00 C ATOM 2137 C ALA A 140 -15.929 6.432 -9.263 1.00 0.00 C ATOM 2138 O ALA A 140 -14.904 6.036 -9.825 1.00 0.00 O ATOM 2139 CB ALA A 140 -15.843 8.898 -9.573 1.00 0.00 C ATOM 0 H ALA A 140 -14.039 7.285 -7.905 1.00 0.00 H new ATOM 0 HA ALA A 140 -16.885 7.862 -7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -16.682 8.839 -10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -15.861 9.861 -9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -14.908 8.797 -10.125 1.00 0.00 H new ATOM 2145 N GLU A 141 -17.079 5.763 -9.326 1.00 0.00 N ATOM 2146 CA GLU A 141 -17.220 4.517 -10.064 1.00 0.00 C ATOM 2147 C GLU A 141 -18.662 4.418 -10.561 1.00 0.00 C ATOM 2148 O GLU A 141 -18.968 4.975 -11.620 1.00 0.00 O ATOM 2149 CB GLU A 141 -16.740 3.339 -9.196 1.00 0.00 C ATOM 2150 CG GLU A 141 -16.870 1.974 -9.872 1.00 0.00 C ATOM 2151 CD GLU A 141 -16.102 1.921 -11.192 1.00 0.00 C ATOM 2152 OE1 GLU A 141 -14.891 1.604 -11.182 1.00 0.00 O ATOM 2153 OE2 GLU A 141 -16.693 2.236 -12.247 1.00 0.00 O ATOM 0 H GLU A 141 -17.936 6.072 -8.866 1.00 0.00 H new ATOM 0 HA GLU A 141 -16.585 4.485 -10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -15.696 3.501 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -17.311 3.329 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -16.496 1.199 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -17.923 1.757 -10.054 1.00 0.00 H new ATOM 2160 N VAL A 142 -19.533 3.808 -9.755 1.00 0.00 N ATOM 2161 CA VAL A 142 -20.951 3.563 -9.988 1.00 0.00 C ATOM 2162 C VAL A 142 -21.215 3.031 -11.391 1.00 0.00 C ATOM 2163 O VAL A 142 -22.135 3.485 -12.096 1.00 0.00 O ATOM 2164 CB VAL A 142 -21.798 4.756 -9.501 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -21.507 4.943 -8.002 1.00 0.00 C ATOM 2166 CG2 VAL A 142 -21.570 6.091 -10.223 1.00 0.00 C ATOM 0 H VAL A 142 -19.237 3.444 -8.849 1.00 0.00 H new ATOM 0 HA VAL A 142 -21.300 2.737 -9.368 1.00 0.00 H new ATOM 0 HB VAL A 142 -22.835 4.501 -9.721 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -22.090 5.781 -7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -21.779 4.036 -7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -20.445 5.145 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -22.221 6.853 -9.794 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -20.530 6.395 -10.106 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -21.797 5.975 -11.283 1.00 0.00 H new TER 2176 VAL A 142