USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 894 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 24 THR OG1 : rot 141:sc= -0.217 USER MOD Set 1.2: A 34 ASN :FLIP amide:sc= -0.68! F(o=-2.1,f=-0.34!) USER MOD Set 1.3: A 37 THR OG1 : rot 140:sc= 0.561 USER MOD Set 2.1: A 9 HIS : no HD1:sc= -5.77! C(o=-5.9!,f=-5.9!) USER MOD Set 2.2: A 13 SER OG : rot 180:sc= -0.132 USER MOD Single : A 2 ASN : amide:sc= -5.1 K(o=-5.1,f=-8.5!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.104 USER MOD Single : A 11 GLN : amide:sc= -8.52! C(o=-8.5!,f=-11!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.717 F(o=-2.4,f=-0.72) USER MOD Single : A 20 SER OG : rot 19:sc= -6.01! USER MOD Single : A 23 CYS SG : rot 160:sc= -2.08 USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= -1.44 (180deg=-1.48) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.16! C(o=-2.3!,f=-1.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= -1.6! C(o=-2.2!,f=-1.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.987 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -100:sc= -0.572 USER MOD Single : A 53 LYS NZ :NH3+ -147:sc= -0.818 (180deg=-1.76) USER MOD Single : A 57 GLN : amide:sc= -2.37! C(o=-2.4!,f=-6.5!) USER MOD Single : A 58 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 61 SER OG : rot 95:sc= 1.22 USER MOD Single : A 62 HIS : no HD1:sc= -4.51! C(o=-4.5!,f=-5.9!) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.949 F(o=-2.4,f=-0.95) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.29) USER MOD Single : A 73 THR OG1 : rot 26:sc= -0.83! USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= -2.47 (180deg=-3.4) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 123:sc= 1.29 USER MOD Single : A 80 THR OG1 : rot -169:sc= 0.0729 USER MOD Single : A 87 ASN : amide:sc= -4.28! C(o=-4.3!,f=-6!) USER MOD Single : A 88 TYR OH : rot 117:sc= -0.765 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.75 X(o=-1.8,f=-1.8!) USER MOD Single : A 98 SER OG : rot 87:sc= 0.117 USER MOD Single : A 102 SER OG : rot 179:sc= 0.589 USER MOD Single : A 105 SER OG : rot 47:sc= 0.91 USER MOD Single : A 107 GLN : amide:sc= -17.9! C(o=-18!,f=-22!) USER MOD Single : A 108 MET CE :methyl -162:sc= -10.9! (180deg=-15.6!) USER MOD Single : A 109 THR OG1 : rot 62:sc= 0.703 USER MOD Single : A 111 GLN :FLIP amide:sc= -0.656 F(o=-2.6!,f=-0.66) USER MOD Single : A 114 LYS NZ :NH3+ -151:sc= -5.83! (180deg=-11.4!) USER MOD Single : A 123 GLN : amide:sc= -4.58 K(o=-4.6,f=-12!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -2.915 8.224 -10.182 1.00 0.00 N ATOM 21 CA ASN A 2 -2.796 8.509 -8.752 1.00 0.00 C ATOM 22 C ASN A 2 -1.812 9.652 -8.491 1.00 0.00 C ATOM 23 O ASN A 2 -1.456 10.398 -9.403 1.00 0.00 O ATOM 24 CB ASN A 2 -2.360 7.246 -7.993 1.00 0.00 C ATOM 25 CG ASN A 2 -0.858 7.025 -8.020 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.132 7.501 -7.146 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.383 6.300 -9.025 1.00 0.00 N ATOM 0 HA ASN A 2 -3.775 8.822 -8.389 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.692 7.319 -6.957 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.857 6.378 -8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.618 6.119 -9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.019 5.924 -9.728 1.00 0.00 H new ATOM 34 N LEU A 3 -1.371 9.771 -7.243 1.00 0.00 N ATOM 35 CA LEU A 3 -0.420 10.809 -6.863 1.00 0.00 C ATOM 36 C LEU A 3 0.968 10.481 -7.398 1.00 0.00 C ATOM 37 O LEU A 3 1.459 11.112 -8.334 1.00 0.00 O ATOM 38 CB LEU A 3 -0.347 10.944 -5.338 1.00 0.00 C ATOM 39 CG LEU A 3 -1.626 11.408 -4.644 1.00 0.00 C ATOM 40 CD1 LEU A 3 -2.620 10.261 -4.539 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.299 11.963 -3.264 1.00 0.00 C ATOM 0 H LEU A 3 -1.657 9.161 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.764 11.750 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.061 9.978 -4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.450 11.646 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.081 12.200 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.526 10.609 -4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.869 9.903 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.179 9.449 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.217 12.291 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.827 11.187 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.619 12.809 -3.364 1.00 0.00 H new ATOM 53 N SER A 4 1.590 9.485 -6.778 1.00 0.00 N ATOM 54 CA SER A 4 2.926 9.036 -7.145 1.00 0.00 C ATOM 55 C SER A 4 3.455 8.104 -6.059 1.00 0.00 C ATOM 56 O SER A 4 2.678 7.548 -5.285 1.00 0.00 O ATOM 57 CB SER A 4 3.869 10.232 -7.336 1.00 0.00 C ATOM 58 OG SER A 4 4.349 10.295 -8.667 1.00 0.00 O ATOM 0 H SER A 4 1.179 8.964 -6.003 1.00 0.00 H new ATOM 0 HA SER A 4 2.877 8.498 -8.092 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.344 11.156 -7.091 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.709 10.150 -6.647 1.00 0.00 H new ATOM 0 HG SER A 4 4.946 11.066 -8.763 1.00 0.00 H new ATOM 64 N LEU A 5 4.768 7.935 -5.992 1.00 0.00 N ATOM 65 CA LEU A 5 5.359 7.071 -4.981 1.00 0.00 C ATOM 66 C LEU A 5 5.800 7.867 -3.757 1.00 0.00 C ATOM 67 O LEU A 5 5.325 7.633 -2.647 1.00 0.00 O ATOM 68 CB LEU A 5 6.539 6.296 -5.550 1.00 0.00 C ATOM 69 CG LEU A 5 6.618 4.846 -5.074 1.00 0.00 C ATOM 70 CD1 LEU A 5 6.127 4.716 -3.650 1.00 0.00 C ATOM 71 CD2 LEU A 5 5.795 3.940 -5.961 1.00 0.00 C ATOM 0 H LEU A 5 5.438 8.380 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 5 4.591 6.363 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.477 6.308 -6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.462 6.808 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 5 7.665 4.546 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.194 3.674 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.743 5.333 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.090 5.047 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.868 2.914 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.753 4.259 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.170 3.993 -6.983 1.00 0.00 H new ATOM 83 N SER A 6 6.721 8.797 -3.972 1.00 0.00 N ATOM 84 CA SER A 6 7.254 9.628 -2.896 1.00 0.00 C ATOM 85 C SER A 6 6.149 10.334 -2.108 1.00 0.00 C ATOM 86 O SER A 6 6.178 10.358 -0.876 1.00 0.00 O ATOM 87 CB SER A 6 8.223 10.663 -3.471 1.00 0.00 C ATOM 88 OG SER A 6 7.523 11.737 -4.075 1.00 0.00 O ATOM 0 H SER A 6 7.119 8.997 -4.890 1.00 0.00 H new ATOM 0 HA SER A 6 7.779 8.970 -2.204 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.866 11.044 -2.677 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.872 10.188 -4.207 1.00 0.00 H new ATOM 0 HG SER A 6 8.165 12.385 -4.433 1.00 0.00 H new ATOM 94 N ASP A 7 5.177 10.909 -2.813 1.00 0.00 N ATOM 95 CA ASP A 7 4.082 11.613 -2.149 1.00 0.00 C ATOM 96 C ASP A 7 3.137 10.618 -1.499 1.00 0.00 C ATOM 97 O ASP A 7 2.981 10.599 -0.278 1.00 0.00 O ATOM 98 CB ASP A 7 3.310 12.500 -3.133 1.00 0.00 C ATOM 99 CG ASP A 7 4.180 13.033 -4.258 1.00 0.00 C ATOM 100 OD1 ASP A 7 4.730 12.212 -5.023 1.00 0.00 O ATOM 101 OD2 ASP A 7 4.310 14.270 -4.373 1.00 0.00 O ATOM 0 H ASP A 7 5.125 10.902 -3.832 1.00 0.00 H new ATOM 0 HA ASP A 7 4.515 12.255 -1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.485 11.929 -3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.872 13.338 -2.591 1.00 0.00 H new ATOM 106 N LEU A 8 2.523 9.780 -2.324 1.00 0.00 N ATOM 107 CA LEU A 8 1.602 8.761 -1.839 1.00 0.00 C ATOM 108 C LEU A 8 2.190 8.051 -0.624 1.00 0.00 C ATOM 109 O LEU A 8 1.517 7.867 0.390 1.00 0.00 O ATOM 110 CB LEU A 8 1.320 7.760 -2.952 1.00 0.00 C ATOM 111 CG LEU A 8 0.125 6.844 -2.718 1.00 0.00 C ATOM 112 CD1 LEU A 8 -1.150 7.511 -3.205 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.343 5.516 -3.423 1.00 0.00 C ATOM 0 H LEU A 8 2.647 9.786 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 8 0.668 9.236 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.159 8.309 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.207 7.143 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 8 0.024 6.655 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.997 6.847 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.303 8.443 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.066 7.722 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.516 4.867 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.460 5.687 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.242 5.040 -3.032 1.00 0.00 H new ATOM 125 N HIS A 9 3.463 7.685 -0.733 1.00 0.00 N ATOM 126 CA HIS A 9 4.171 7.027 0.356 1.00 0.00 C ATOM 127 C HIS A 9 4.229 7.952 1.557 1.00 0.00 C ATOM 128 O HIS A 9 3.933 7.561 2.683 1.00 0.00 O ATOM 129 CB HIS A 9 5.595 6.674 -0.078 1.00 0.00 C ATOM 130 CG HIS A 9 6.501 6.293 1.056 1.00 0.00 C ATOM 131 ND1 HIS A 9 6.425 5.084 1.714 1.00 0.00 N ATOM 132 CD2 HIS A 9 7.503 6.981 1.655 1.00 0.00 C ATOM 133 CE1 HIS A 9 7.339 5.046 2.669 1.00 0.00 C ATOM 134 NE2 HIS A 9 8.007 6.185 2.654 1.00 0.00 N ATOM 0 H HIS A 9 4.027 7.835 -1.570 1.00 0.00 H new ATOM 0 HA HIS A 9 3.640 6.113 0.620 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.553 5.849 -0.789 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.026 7.526 -0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.843 7.973 1.395 1.00 0.00 H new ATOM 0 HE1 HIS A 9 7.510 4.223 3.347 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.772 6.433 3.282 1.00 0.00 H new ATOM 143 N ARG A 10 4.632 9.183 1.294 1.00 0.00 N ATOM 144 CA ARG A 10 4.755 10.192 2.339 1.00 0.00 C ATOM 145 C ARG A 10 3.501 10.259 3.213 1.00 0.00 C ATOM 146 O ARG A 10 3.589 10.144 4.436 1.00 0.00 O ATOM 147 CB ARG A 10 5.044 11.564 1.724 1.00 0.00 C ATOM 148 CG ARG A 10 6.525 11.832 1.503 1.00 0.00 C ATOM 149 CD ARG A 10 7.176 12.432 2.739 1.00 0.00 C ATOM 150 NE ARG A 10 8.574 12.027 2.874 1.00 0.00 N ATOM 151 CZ ARG A 10 9.313 12.261 3.956 1.00 0.00 C ATOM 152 NH1 ARG A 10 8.793 12.894 5.000 1.00 0.00 N ATOM 153 NH2 ARG A 10 10.576 11.859 3.995 1.00 0.00 N ATOM 0 H ARG A 10 4.882 9.512 0.361 1.00 0.00 H new ATOM 0 HA ARG A 10 5.590 9.903 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.523 11.642 0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.636 12.338 2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.029 10.901 1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.651 12.511 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.117 13.519 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.622 12.124 3.626 1.00 0.00 H new ATOM 0 HE ARG A 10 9.009 11.536 2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.822 13.204 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.365 13.070 5.826 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.981 11.371 3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.143 12.038 4.824 1.00 0.00 H new ATOM 167 N GLN A 11 2.335 10.454 2.594 1.00 0.00 N ATOM 168 CA GLN A 11 1.088 10.545 3.355 1.00 0.00 C ATOM 169 C GLN A 11 0.716 9.208 4.009 1.00 0.00 C ATOM 170 O GLN A 11 0.514 9.144 5.224 1.00 0.00 O ATOM 171 CB GLN A 11 -0.074 11.061 2.486 1.00 0.00 C ATOM 172 CG GLN A 11 -0.043 10.605 1.034 1.00 0.00 C ATOM 173 CD GLN A 11 0.563 11.625 0.087 1.00 0.00 C ATOM 174 OE1 GLN A 11 0.269 11.622 -1.107 1.00 0.00 O ATOM 175 NE2 GLN A 11 1.417 12.494 0.605 1.00 0.00 N ATOM 0 H GLN A 11 2.228 10.551 1.584 1.00 0.00 H new ATOM 0 HA GLN A 11 1.263 11.269 4.151 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.014 10.737 2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.069 12.151 2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.525 9.677 0.966 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.060 10.381 0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.635 12.463 1.601 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.857 13.194 0.008 1.00 0.00 H new ATOM 184 N VAL A 12 0.626 8.142 3.212 1.00 0.00 N ATOM 185 CA VAL A 12 0.274 6.822 3.746 1.00 0.00 C ATOM 186 C VAL A 12 1.234 6.403 4.862 1.00 0.00 C ATOM 187 O VAL A 12 0.813 5.942 5.936 1.00 0.00 O ATOM 188 CB VAL A 12 0.270 5.741 2.636 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.639 5.618 1.978 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.182 4.399 3.194 1.00 0.00 C ATOM 0 H VAL A 12 0.790 8.164 2.205 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.733 6.905 4.155 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.440 6.052 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.603 4.852 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.915 6.573 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.380 5.341 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.178 3.654 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.498 4.087 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.190 4.494 3.597 1.00 0.00 H new ATOM 200 N SER A 13 2.525 6.571 4.602 1.00 0.00 N ATOM 201 CA SER A 13 3.555 6.221 5.567 1.00 0.00 C ATOM 202 C SER A 13 3.372 6.996 6.864 1.00 0.00 C ATOM 203 O SER A 13 3.222 6.407 7.931 1.00 0.00 O ATOM 204 CB SER A 13 4.942 6.501 4.986 1.00 0.00 C ATOM 205 OG SER A 13 5.956 5.901 5.774 1.00 0.00 O ATOM 0 H SER A 13 2.883 6.950 3.725 1.00 0.00 H new ATOM 0 HA SER A 13 3.466 5.157 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.996 6.120 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.107 7.577 4.933 1.00 0.00 H new ATOM 0 HG SER A 13 6.833 6.093 5.381 1.00 0.00 H new ATOM 211 N ARG A 14 3.380 8.320 6.765 1.00 0.00 N ATOM 212 CA ARG A 14 3.217 9.169 7.937 1.00 0.00 C ATOM 213 C ARG A 14 1.903 8.867 8.641 1.00 0.00 C ATOM 214 O ARG A 14 1.761 9.099 9.842 1.00 0.00 O ATOM 215 CB ARG A 14 3.269 10.648 7.543 1.00 0.00 C ATOM 216 CG ARG A 14 4.478 11.384 8.093 1.00 0.00 C ATOM 217 CD ARG A 14 4.132 12.816 8.467 1.00 0.00 C ATOM 218 NE ARG A 14 5.302 13.691 8.434 1.00 0.00 N ATOM 219 CZ ARG A 14 5.363 14.870 9.048 1.00 0.00 C ATOM 220 NH1 ARG A 14 4.326 15.317 9.745 1.00 0.00 N ATOM 221 NH2 ARG A 14 6.463 15.605 8.964 1.00 0.00 N ATOM 0 H ARG A 14 3.497 8.827 5.888 1.00 0.00 H new ATOM 0 HA ARG A 14 4.038 8.958 8.622 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.271 10.725 6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.363 11.141 7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.858 10.859 8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.276 11.383 7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.376 13.197 7.781 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.695 12.834 9.465 1.00 0.00 H new ATOM 0 HE ARG A 14 6.120 13.380 7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.477 14.756 9.812 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.378 16.221 10.214 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.263 15.267 8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.510 16.509 9.435 1.00 0.00 H new ATOM 235 N LEU A 15 0.942 8.358 7.883 1.00 0.00 N ATOM 236 CA LEU A 15 -0.362 8.035 8.429 1.00 0.00 C ATOM 237 C LEU A 15 -0.291 6.869 9.399 1.00 0.00 C ATOM 238 O LEU A 15 -0.553 7.030 10.590 1.00 0.00 O ATOM 239 CB LEU A 15 -1.326 7.705 7.302 1.00 0.00 C ATOM 240 CG LEU A 15 -2.041 8.909 6.715 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.670 8.546 5.382 1.00 0.00 C ATOM 242 CD2 LEU A 15 -3.092 9.432 7.682 1.00 0.00 C ATOM 0 H LEU A 15 1.044 8.161 6.887 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.718 8.907 8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.777 7.201 6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.071 7.000 7.672 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.311 9.701 6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.180 9.417 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.893 8.220 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.389 7.740 5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.593 10.295 7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.824 8.650 7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.613 9.727 8.616 1.00 0.00 H new ATOM 254 N VAL A 16 0.054 5.690 8.894 1.00 0.00 N ATOM 255 CA VAL A 16 0.135 4.519 9.758 1.00 0.00 C ATOM 256 C VAL A 16 1.367 4.584 10.650 1.00 0.00 C ATOM 257 O VAL A 16 1.393 3.992 11.729 1.00 0.00 O ATOM 258 CB VAL A 16 0.128 3.202 8.951 1.00 0.00 C ATOM 259 CG1 VAL A 16 1.017 2.141 9.592 1.00 0.00 C ATOM 260 CG2 VAL A 16 -1.291 2.676 8.794 1.00 0.00 C ATOM 0 H VAL A 16 0.278 5.521 7.913 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.755 4.527 10.387 1.00 0.00 H new ATOM 0 HB VAL A 16 0.534 3.424 7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.985 1.230 8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.043 2.507 9.641 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.660 1.927 10.599 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.274 1.748 8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.720 2.488 9.778 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.897 3.414 8.269 1.00 0.00 H new ATOM 270 N GLN A 17 2.383 5.312 10.206 1.00 0.00 N ATOM 271 CA GLN A 17 3.600 5.449 10.989 1.00 0.00 C ATOM 272 C GLN A 17 3.377 6.416 12.146 1.00 0.00 C ATOM 273 O GLN A 17 4.082 6.361 13.154 1.00 0.00 O ATOM 274 CB GLN A 17 4.761 5.923 10.113 1.00 0.00 C ATOM 275 CG GLN A 17 5.154 4.925 9.033 1.00 0.00 C ATOM 276 CD GLN A 17 6.364 4.097 9.416 1.00 0.00 C ATOM 277 OE1 GLN A 17 7.504 4.499 9.185 1.00 0.00 O ATOM 278 NE2 GLN A 17 6.121 2.932 10.005 1.00 0.00 N ATOM 0 H GLN A 17 2.388 5.812 9.317 1.00 0.00 H new ATOM 0 HA GLN A 17 3.858 4.471 11.394 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.488 6.867 9.642 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.626 6.121 10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.313 4.261 8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.364 5.461 8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.159 2.638 10.177 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.896 2.331 10.285 1.00 0.00 H new ATOM 287 N GLN A 18 2.390 7.303 12.003 1.00 0.00 N ATOM 288 CA GLN A 18 2.090 8.270 13.054 1.00 0.00 C ATOM 289 C GLN A 18 0.630 8.722 12.992 1.00 0.00 C ATOM 290 O GLN A 18 0.345 9.913 12.867 1.00 0.00 O ATOM 291 CB GLN A 18 3.023 9.487 12.951 1.00 0.00 C ATOM 292 CG GLN A 18 4.275 9.242 12.121 1.00 0.00 C ATOM 293 CD GLN A 18 5.127 10.486 11.967 1.00 0.00 C ATOM 294 OE1 GLN A 18 4.622 11.458 11.216 1.00 0.00 O flip ATOM 295 NE2 GLN A 18 6.226 10.572 12.514 1.00 0.00 N flip ATOM 0 H GLN A 18 1.793 7.370 11.179 1.00 0.00 H new ATOM 0 HA GLN A 18 2.254 7.778 14.013 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.470 10.320 12.517 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.319 9.790 13.955 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.868 8.456 12.589 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.987 8.880 11.134 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.575 9.800 13.082 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.788 11.415 12.399 1.00 0.00 H new ATOM 304 N GLU A 19 -0.298 7.768 13.087 1.00 0.00 N ATOM 305 CA GLU A 19 -1.723 8.094 13.047 1.00 0.00 C ATOM 306 C GLU A 19 -2.600 6.841 13.071 1.00 0.00 C ATOM 307 O GLU A 19 -3.403 6.655 13.984 1.00 0.00 O ATOM 308 CB GLU A 19 -2.044 8.930 11.804 1.00 0.00 C ATOM 309 CG GLU A 19 -2.680 10.274 12.123 1.00 0.00 C ATOM 310 CD GLU A 19 -2.073 11.411 11.325 1.00 0.00 C ATOM 311 OE1 GLU A 19 -2.234 11.419 10.087 1.00 0.00 O ATOM 312 OE2 GLU A 19 -1.438 12.294 11.938 1.00 0.00 O ATOM 0 H GLU A 19 -0.091 6.775 13.191 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.946 8.673 13.943 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.126 9.096 11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.715 8.364 11.159 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.750 10.223 11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.568 10.481 13.187 1.00 0.00 H new ATOM 319 N SER A 20 -2.460 5.996 12.053 1.00 0.00 N ATOM 320 CA SER A 20 -3.262 4.778 11.956 1.00 0.00 C ATOM 321 C SER A 20 -2.641 3.621 12.737 1.00 0.00 C ATOM 322 O SER A 20 -3.094 3.281 13.830 1.00 0.00 O ATOM 323 CB SER A 20 -3.446 4.380 10.486 1.00 0.00 C ATOM 324 OG SER A 20 -4.391 5.219 9.850 1.00 0.00 O ATOM 0 H SER A 20 -1.801 6.131 11.286 1.00 0.00 H new ATOM 0 HA SER A 20 -4.235 4.992 12.399 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.490 4.443 9.966 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.775 3.343 10.424 1.00 0.00 H new ATOM 0 HG SER A 20 -4.501 6.042 10.371 1.00 0.00 H new ATOM 330 N GLY A 21 -1.616 3.009 12.158 1.00 0.00 N ATOM 331 CA GLY A 21 -0.957 1.884 12.790 1.00 0.00 C ATOM 332 C GLY A 21 -1.063 0.630 11.945 1.00 0.00 C ATOM 333 O GLY A 21 -0.130 -0.171 11.881 1.00 0.00 O ATOM 0 H GLY A 21 -1.227 3.275 11.254 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.093 2.123 12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.402 1.703 13.768 1.00 0.00 H new ATOM 337 N ASP A 22 -2.210 0.470 11.292 1.00 0.00 N ATOM 338 CA ASP A 22 -2.460 -0.689 10.435 1.00 0.00 C ATOM 339 C ASP A 22 -3.828 -0.597 9.743 1.00 0.00 C ATOM 340 O ASP A 22 -4.253 -1.531 9.064 1.00 0.00 O ATOM 341 CB ASP A 22 -2.371 -1.968 11.268 1.00 0.00 C ATOM 342 CG ASP A 22 -3.704 -2.392 11.861 1.00 0.00 C ATOM 343 OD1 ASP A 22 -4.046 -1.908 12.962 1.00 0.00 O ATOM 344 OD2 ASP A 22 -4.404 -3.207 11.225 1.00 0.00 O ATOM 0 H ASP A 22 -2.986 1.131 11.339 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.700 -0.707 9.654 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.986 -2.774 10.644 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.653 -1.819 12.075 1.00 0.00 H new ATOM 349 N CYS A 23 -4.507 0.532 9.931 1.00 0.00 N ATOM 350 CA CYS A 23 -5.825 0.771 9.341 1.00 0.00 C ATOM 351 C CYS A 23 -5.815 0.530 7.831 1.00 0.00 C ATOM 352 O CYS A 23 -4.873 -0.052 7.294 1.00 0.00 O ATOM 353 CB CYS A 23 -6.256 2.208 9.639 1.00 0.00 C ATOM 354 SG CYS A 23 -6.601 2.526 11.386 1.00 0.00 S ATOM 0 H CYS A 23 -4.161 1.307 10.496 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.533 0.070 9.782 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.473 2.888 9.304 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.148 2.437 9.056 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.538 3.804 11.615 1.00 0.00 H new ATOM 360 N THR A 24 -6.861 0.986 7.143 1.00 0.00 N ATOM 361 CA THR A 24 -6.939 0.808 5.694 1.00 0.00 C ATOM 362 C THR A 24 -6.617 2.119 4.986 1.00 0.00 C ATOM 363 O THR A 24 -6.600 3.179 5.609 1.00 0.00 O ATOM 364 CB THR A 24 -8.326 0.309 5.277 1.00 0.00 C ATOM 365 OG1 THR A 24 -9.091 -0.061 6.411 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.283 -0.884 4.349 1.00 0.00 C ATOM 0 H THR A 24 -7.655 1.474 7.558 1.00 0.00 H new ATOM 0 HA THR A 24 -6.205 0.057 5.403 1.00 0.00 H new ATOM 0 HB THR A 24 -8.781 1.146 4.747 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.020 0.223 6.286 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.300 -1.184 4.095 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.745 -0.618 3.439 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.774 -1.711 4.843 1.00 0.00 H new ATOM 374 N GLY A 25 -6.337 2.043 3.690 1.00 0.00 N ATOM 375 CA GLY A 25 -5.993 3.239 2.944 1.00 0.00 C ATOM 376 C GLY A 25 -7.066 3.678 1.967 1.00 0.00 C ATOM 377 O GLY A 25 -7.629 2.863 1.237 1.00 0.00 O ATOM 0 H GLY A 25 -6.342 1.181 3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.799 4.051 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.067 3.062 2.397 1.00 0.00 H new ATOM 381 N LYS A 26 -7.328 4.982 1.943 1.00 0.00 N ATOM 382 CA LYS A 26 -8.317 5.560 1.038 1.00 0.00 C ATOM 383 C LYS A 26 -7.605 6.294 -0.092 1.00 0.00 C ATOM 384 O LYS A 26 -6.890 7.262 0.150 1.00 0.00 O ATOM 385 CB LYS A 26 -9.230 6.527 1.798 1.00 0.00 C ATOM 386 CG LYS A 26 -10.481 6.936 1.034 1.00 0.00 C ATOM 387 CD LYS A 26 -10.190 8.017 0.001 1.00 0.00 C ATOM 388 CE LYS A 26 -9.551 9.243 0.637 1.00 0.00 C ATOM 389 NZ LYS A 26 -10.223 9.621 1.911 1.00 0.00 N ATOM 0 H LYS A 26 -6.865 5.663 2.545 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.929 4.760 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.528 6.064 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.662 7.423 2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.904 6.063 0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.232 7.298 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.528 7.618 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.117 8.305 -0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.496 9.045 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.597 10.080 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.792 10.490 2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.235 9.785 1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.113 8.853 2.603 1.00 0.00 H new ATOM 403 N LEU A 27 -7.787 5.828 -1.324 1.00 0.00 N ATOM 404 CA LEU A 27 -7.130 6.452 -2.469 1.00 0.00 C ATOM 405 C LEU A 27 -8.097 7.304 -3.283 1.00 0.00 C ATOM 406 O LEU A 27 -9.283 6.992 -3.389 1.00 0.00 O ATOM 407 CB LEU A 27 -6.499 5.388 -3.368 1.00 0.00 C ATOM 408 CG LEU A 27 -5.651 5.939 -4.517 1.00 0.00 C ATOM 409 CD1 LEU A 27 -4.454 5.039 -4.782 1.00 0.00 C ATOM 410 CD2 LEU A 27 -6.496 6.093 -5.773 1.00 0.00 C ATOM 0 H LEU A 27 -8.377 5.029 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.351 7.106 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.876 4.737 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.292 4.768 -3.786 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.278 6.922 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.865 5.449 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.837 4.981 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.801 4.041 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.879 6.486 -6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.898 5.122 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.318 6.782 -5.577 1.00 0.00 H new ATOM 422 N ARG A 28 -7.558 8.386 -3.850 1.00 0.00 N ATOM 423 CA ARG A 28 -8.318 9.336 -4.670 1.00 0.00 C ATOM 424 C ARG A 28 -7.644 10.704 -4.611 1.00 0.00 C ATOM 425 O ARG A 28 -8.201 11.665 -4.080 1.00 0.00 O ATOM 426 CB ARG A 28 -9.780 9.446 -4.197 1.00 0.00 C ATOM 427 CG ARG A 28 -10.782 8.605 -4.994 1.00 0.00 C ATOM 428 CD ARG A 28 -10.108 7.687 -6.005 1.00 0.00 C ATOM 429 NE ARG A 28 -11.009 6.643 -6.493 1.00 0.00 N ATOM 430 CZ ARG A 28 -10.919 6.087 -7.701 1.00 0.00 C ATOM 431 NH1 ARG A 28 -9.960 6.455 -8.542 1.00 0.00 N ATOM 432 NH2 ARG A 28 -11.787 5.154 -8.066 1.00 0.00 N ATOM 0 H ARG A 28 -6.573 8.631 -3.753 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.330 8.972 -5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.831 9.149 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.085 10.491 -4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.376 8.005 -4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.472 9.268 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.750 8.279 -6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.234 7.225 -5.547 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.751 6.321 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.285 7.168 -8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.898 6.025 -9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.523 4.862 -7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.719 4.728 -8.990 1.00 0.00 H new ATOM 446 N GLY A 29 -6.424 10.769 -5.138 1.00 0.00 N ATOM 447 CA GLY A 29 -5.664 12.008 -5.116 1.00 0.00 C ATOM 448 C GLY A 29 -4.814 12.125 -3.863 1.00 0.00 C ATOM 449 O GLY A 29 -3.939 12.984 -3.770 1.00 0.00 O ATOM 0 H GLY A 29 -5.947 9.984 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.023 12.057 -5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.348 12.855 -5.172 1.00 0.00 H new ATOM 453 N ASN A 30 -5.084 11.248 -2.899 1.00 0.00 N ATOM 454 CA ASN A 30 -4.366 11.216 -1.632 1.00 0.00 C ATOM 455 C ASN A 30 -4.674 9.902 -0.920 1.00 0.00 C ATOM 456 O ASN A 30 -5.641 9.223 -1.265 1.00 0.00 O ATOM 457 CB ASN A 30 -4.784 12.411 -0.759 1.00 0.00 C ATOM 458 CG ASN A 30 -5.665 12.009 0.413 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.718 11.246 0.131 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -5.402 12.379 1.556 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.811 10.537 -2.977 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.294 11.285 -1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.891 12.909 -0.381 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.316 13.136 -1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.584 12.964 1.727 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.002 12.101 2.333 1.00 0.00 H new ATOM 467 N VAL A 31 -3.890 9.560 0.090 1.00 0.00 N ATOM 468 CA VAL A 31 -4.151 8.346 0.847 1.00 0.00 C ATOM 469 C VAL A 31 -4.632 8.701 2.249 1.00 0.00 C ATOM 470 O VAL A 31 -3.945 9.393 3.000 1.00 0.00 O ATOM 471 CB VAL A 31 -2.931 7.394 0.908 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.626 8.153 0.775 1.00 0.00 C ATOM 473 CG2 VAL A 31 -2.939 6.557 2.183 1.00 0.00 C ATOM 0 H VAL A 31 -3.080 10.096 0.401 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.934 7.802 0.320 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.013 6.715 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.792 7.453 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.606 8.678 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.540 8.875 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.069 5.900 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.906 7.216 3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.848 5.956 2.218 1.00 0.00 H new ATOM 483 N ALA A 32 -5.827 8.229 2.579 1.00 0.00 N ATOM 484 CA ALA A 32 -6.430 8.497 3.877 1.00 0.00 C ATOM 485 C ALA A 32 -6.341 7.275 4.775 1.00 0.00 C ATOM 486 O ALA A 32 -6.025 6.176 4.316 1.00 0.00 O ATOM 487 CB ALA A 32 -7.877 8.937 3.720 1.00 0.00 C ATOM 0 H ALA A 32 -6.401 7.655 1.961 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.874 9.309 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.307 9.132 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.918 9.846 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.445 8.149 3.225 1.00 0.00 H new ATOM 493 N ALA A 33 -6.600 7.476 6.060 1.00 0.00 N ATOM 494 CA ALA A 33 -6.521 6.394 7.026 1.00 0.00 C ATOM 495 C ALA A 33 -7.902 5.883 7.414 1.00 0.00 C ATOM 496 O ALA A 33 -8.626 6.518 8.182 1.00 0.00 O ATOM 497 CB ALA A 33 -5.768 6.861 8.260 1.00 0.00 C ATOM 0 H ALA A 33 -6.866 8.378 6.455 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.984 5.567 6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.711 6.046 8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.760 7.166 7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.291 7.706 8.707 1.00 0.00 H new ATOM 503 N ASN A 34 -8.244 4.717 6.878 1.00 0.00 N ATOM 504 CA ASN A 34 -9.520 4.073 7.151 1.00 0.00 C ATOM 505 C ASN A 34 -9.497 3.437 8.535 1.00 0.00 C ATOM 506 O ASN A 34 -9.167 2.255 8.676 1.00 0.00 O ATOM 507 CB ASN A 34 -9.788 3.002 6.094 1.00 0.00 C ATOM 508 CG ASN A 34 -11.235 2.550 6.049 1.00 0.00 C ATOM 509 OD1 ASN A 34 -11.474 1.397 5.425 1.00 0.00 O flip ATOM 510 ND2 ASN A 34 -12.126 3.224 6.565 1.00 0.00 N flip ATOM 0 H ASN A 34 -7.643 4.193 6.242 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.313 4.820 7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.505 3.389 5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.151 2.140 6.292 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.896 4.101 7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.094 2.906 6.525 1.00 0.00 H new ATOM 517 N LYS A 35 -9.836 4.231 9.549 1.00 0.00 N ATOM 518 CA LYS A 35 -9.847 3.758 10.929 1.00 0.00 C ATOM 519 C LYS A 35 -11.251 3.346 11.349 1.00 0.00 C ATOM 520 O LYS A 35 -11.921 4.054 12.102 1.00 0.00 O ATOM 521 CB LYS A 35 -9.316 4.845 11.866 1.00 0.00 C ATOM 522 CG LYS A 35 -8.745 4.302 13.167 1.00 0.00 C ATOM 523 CD LYS A 35 -9.676 4.565 14.341 1.00 0.00 C ATOM 524 CE LYS A 35 -9.639 6.024 14.771 1.00 0.00 C ATOM 525 NZ LYS A 35 -9.173 6.178 16.177 1.00 0.00 N ATOM 0 H LYS A 35 -10.107 5.208 9.438 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.198 2.885 10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.543 5.413 11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.123 5.541 12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.574 3.230 13.070 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.776 4.763 13.360 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.695 4.292 14.066 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.392 3.931 15.181 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.979 6.581 14.107 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.634 6.458 14.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.162 7.187 16.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.817 5.668 16.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.214 5.788 16.269 1.00 0.00 H new ATOM 539 N GLU A 36 -11.690 2.196 10.854 1.00 0.00 N ATOM 540 CA GLU A 36 -13.016 1.678 11.168 1.00 0.00 C ATOM 541 C GLU A 36 -13.252 0.351 10.456 1.00 0.00 C ATOM 542 O GLU A 36 -13.884 -0.556 10.999 1.00 0.00 O ATOM 543 CB GLU A 36 -14.092 2.689 10.765 1.00 0.00 C ATOM 544 CG GLU A 36 -15.509 2.218 11.046 1.00 0.00 C ATOM 545 CD GLU A 36 -15.712 1.812 12.493 1.00 0.00 C ATOM 546 OE1 GLU A 36 -15.173 0.760 12.896 1.00 0.00 O ATOM 547 OE2 GLU A 36 -16.412 2.546 13.223 1.00 0.00 O ATOM 0 H GLU A 36 -11.144 1.601 10.230 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.075 1.513 12.244 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.917 3.624 11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.995 2.905 9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.209 3.014 10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.742 1.372 10.399 1.00 0.00 H new ATOM 554 N THR A 37 -12.736 0.246 9.236 1.00 0.00 N ATOM 555 CA THR A 37 -12.882 -0.966 8.442 1.00 0.00 C ATOM 556 C THR A 37 -11.610 -1.805 8.496 1.00 0.00 C ATOM 557 O THR A 37 -10.732 -1.568 9.327 1.00 0.00 O ATOM 558 CB THR A 37 -13.220 -0.612 6.990 1.00 0.00 C ATOM 559 OG1 THR A 37 -13.518 0.768 6.865 1.00 0.00 O ATOM 560 CG2 THR A 37 -14.402 -1.385 6.446 1.00 0.00 C ATOM 0 H THR A 37 -12.211 0.989 8.775 1.00 0.00 H new ATOM 0 HA THR A 37 -13.699 -1.553 8.862 1.00 0.00 H new ATOM 0 HB THR A 37 -12.333 -0.879 6.415 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.128 1.113 6.035 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.588 -1.087 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.186 -2.453 6.482 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.284 -1.173 7.050 1.00 0.00 H new ATOM 568 N THR A 38 -11.517 -2.783 7.604 1.00 0.00 N ATOM 569 CA THR A 38 -10.354 -3.660 7.542 1.00 0.00 C ATOM 570 C THR A 38 -10.404 -4.486 6.270 1.00 0.00 C ATOM 571 O THR A 38 -11.166 -5.447 6.171 1.00 0.00 O ATOM 572 CB THR A 38 -10.303 -4.579 8.761 1.00 0.00 C ATOM 573 OG1 THR A 38 -11.609 -4.913 9.195 1.00 0.00 O ATOM 574 CG2 THR A 38 -9.567 -3.975 9.937 1.00 0.00 C ATOM 0 H THR A 38 -12.236 -2.990 6.911 1.00 0.00 H new ATOM 0 HA THR A 38 -9.454 -3.045 7.539 1.00 0.00 H new ATOM 0 HB THR A 38 -9.760 -5.464 8.430 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.553 -5.503 9.975 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.568 -4.680 10.768 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.539 -3.756 9.649 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.063 -3.053 10.242 1.00 0.00 H new ATOM 582 N PHE A 39 -9.613 -4.086 5.288 1.00 0.00 N ATOM 583 CA PHE A 39 -9.599 -4.772 4.005 1.00 0.00 C ATOM 584 C PHE A 39 -8.270 -5.450 3.701 1.00 0.00 C ATOM 585 O PHE A 39 -7.197 -4.960 4.052 1.00 0.00 O ATOM 586 CB PHE A 39 -9.973 -3.796 2.900 1.00 0.00 C ATOM 587 CG PHE A 39 -11.353 -3.209 3.078 1.00 0.00 C ATOM 588 CD1 PHE A 39 -12.307 -3.859 3.852 1.00 0.00 C ATOM 589 CD2 PHE A 39 -11.689 -1.999 2.496 1.00 0.00 C ATOM 590 CE1 PHE A 39 -13.563 -3.315 4.036 1.00 0.00 C ATOM 591 CE2 PHE A 39 -12.944 -1.448 2.681 1.00 0.00 C ATOM 592 CZ PHE A 39 -13.881 -2.107 3.452 1.00 0.00 C ATOM 0 H PHE A 39 -8.974 -3.293 5.353 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.338 -5.571 4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.241 -2.989 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.922 -4.307 1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.063 -4.803 4.316 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.962 -1.479 1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -14.295 -3.835 4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -13.191 -0.502 2.222 1.00 0.00 H new ATOM 0 HZ PHE A 39 -14.861 -1.677 3.597 1.00 0.00 H new ATOM 602 N GLN A 40 -8.377 -6.592 3.033 1.00 0.00 N ATOM 603 CA GLN A 40 -7.224 -7.394 2.642 1.00 0.00 C ATOM 604 C GLN A 40 -7.555 -8.227 1.405 1.00 0.00 C ATOM 605 O GLN A 40 -7.595 -9.456 1.451 1.00 0.00 O ATOM 606 CB GLN A 40 -6.781 -8.301 3.792 1.00 0.00 C ATOM 607 CG GLN A 40 -7.846 -9.288 4.253 1.00 0.00 C ATOM 608 CD GLN A 40 -9.078 -8.608 4.818 1.00 0.00 C ATOM 609 OE1 GLN A 40 -10.169 -8.637 4.060 1.00 0.00 O flip ATOM 610 NE2 GLN A 40 -9.051 -8.064 5.922 1.00 0.00 N flip ATOM 0 H GLN A 40 -9.271 -6.990 2.746 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.401 -6.720 2.401 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.896 -8.857 3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.487 -7.680 4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.138 -9.918 3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.421 -9.946 5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.191 -8.066 6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.889 -7.612 6.288 1.00 0.00 H new ATOM 619 N GLY A 41 -7.794 -7.534 0.302 1.00 0.00 N ATOM 620 CA GLY A 41 -8.129 -8.187 -0.951 1.00 0.00 C ATOM 621 C GLY A 41 -9.575 -8.649 -1.014 1.00 0.00 C ATOM 622 O GLY A 41 -9.947 -9.641 -0.387 1.00 0.00 O ATOM 0 H GLY A 41 -7.762 -6.516 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.937 -7.499 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.473 -9.046 -1.093 1.00 0.00 H new ATOM 626 N LEU A 42 -10.384 -7.936 -1.795 1.00 0.00 N ATOM 627 CA LEU A 42 -11.793 -8.277 -1.972 1.00 0.00 C ATOM 628 C LEU A 42 -12.300 -7.740 -3.318 1.00 0.00 C ATOM 629 O LEU A 42 -11.625 -7.889 -4.335 1.00 0.00 O ATOM 630 CB LEU A 42 -12.624 -7.746 -0.803 1.00 0.00 C ATOM 631 CG LEU A 42 -13.785 -8.644 -0.366 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.572 -9.156 -1.565 1.00 0.00 C ATOM 633 CD2 LEU A 42 -13.267 -9.804 0.470 1.00 0.00 C ATOM 0 H LEU A 42 -10.085 -7.113 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.899 -9.362 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.964 -7.592 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.024 -6.770 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.463 -8.047 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.389 -9.790 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.978 -8.311 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.913 -9.734 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.102 -10.435 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.564 -10.392 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.763 -9.418 1.356 1.00 0.00 H new ATOM 645 N THR A 43 -13.481 -7.125 -3.342 1.00 0.00 N ATOM 646 CA THR A 43 -14.026 -6.597 -4.590 1.00 0.00 C ATOM 647 C THR A 43 -15.264 -5.739 -4.341 1.00 0.00 C ATOM 648 O THR A 43 -16.197 -5.737 -5.144 1.00 0.00 O ATOM 649 CB THR A 43 -14.374 -7.744 -5.543 1.00 0.00 C ATOM 650 OG1 THR A 43 -13.978 -8.995 -5.003 1.00 0.00 O ATOM 651 CG2 THR A 43 -13.726 -7.602 -6.903 1.00 0.00 C ATOM 0 H THR A 43 -14.072 -6.981 -2.523 1.00 0.00 H new ATOM 0 HA THR A 43 -13.262 -5.967 -5.044 1.00 0.00 H new ATOM 0 HB THR A 43 -15.456 -7.699 -5.664 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.212 -9.711 -5.630 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.011 -8.445 -7.532 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.057 -6.674 -7.369 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.642 -7.584 -6.790 1.00 0.00 H new ATOM 659 N ILE A 44 -15.270 -5.011 -3.230 1.00 0.00 N ATOM 660 CA ILE A 44 -16.400 -4.150 -2.886 1.00 0.00 C ATOM 661 C ILE A 44 -17.683 -4.954 -2.659 1.00 0.00 C ATOM 662 O ILE A 44 -18.745 -4.379 -2.422 1.00 0.00 O ATOM 663 CB ILE A 44 -16.661 -3.110 -3.990 1.00 0.00 C ATOM 664 CG1 ILE A 44 -15.366 -2.385 -4.360 1.00 0.00 C ATOM 665 CG2 ILE A 44 -17.725 -2.115 -3.547 1.00 0.00 C ATOM 666 CD1 ILE A 44 -15.231 -2.112 -5.842 1.00 0.00 C ATOM 0 H ILE A 44 -14.508 -4.998 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 44 -16.130 -3.645 -1.959 1.00 0.00 H new ATOM 0 HB ILE A 44 -17.027 -3.631 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.320 -1.440 -3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.517 -2.983 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.896 -1.388 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.653 -2.645 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -17.389 -1.599 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.290 -1.596 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.245 -3.055 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -16.061 -1.488 -6.174 1.00 0.00 H new ATOM 678 N ALA A 45 -17.586 -6.279 -2.729 1.00 0.00 N ATOM 679 CA ALA A 45 -18.744 -7.139 -2.528 1.00 0.00 C ATOM 680 C ALA A 45 -18.911 -7.483 -1.055 1.00 0.00 C ATOM 681 O ALA A 45 -19.959 -7.229 -0.461 1.00 0.00 O ATOM 682 CB ALA A 45 -18.611 -8.406 -3.358 1.00 0.00 C ATOM 0 H ALA A 45 -16.718 -6.778 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.633 -6.600 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.484 -9.039 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.542 -8.144 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.712 -8.945 -3.058 1.00 0.00 H new ATOM 688 N SER A 46 -17.867 -8.056 -0.468 1.00 0.00 N ATOM 689 CA SER A 46 -17.895 -8.428 0.941 1.00 0.00 C ATOM 690 C SER A 46 -18.121 -7.201 1.819 1.00 0.00 C ATOM 691 O SER A 46 -18.580 -7.314 2.956 1.00 0.00 O ATOM 692 CB SER A 46 -16.587 -9.118 1.334 1.00 0.00 C ATOM 693 OG SER A 46 -16.791 -10.023 2.406 1.00 0.00 O ATOM 0 H SER A 46 -16.992 -8.273 -0.945 1.00 0.00 H new ATOM 0 HA SER A 46 -18.722 -9.121 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.181 -9.652 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.849 -8.369 1.621 1.00 0.00 H new ATOM 0 HG SER A 46 -15.941 -10.452 2.638 1.00 0.00 H new ATOM 699 N GLY A 47 -17.794 -6.027 1.284 1.00 0.00 N ATOM 700 CA GLY A 47 -17.967 -4.795 2.029 1.00 0.00 C ATOM 701 C GLY A 47 -16.768 -3.877 1.908 1.00 0.00 C ATOM 702 O GLY A 47 -16.285 -3.342 2.906 1.00 0.00 O ATOM 0 H GLY A 47 -17.412 -5.909 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.856 -4.277 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.138 -5.029 3.080 1.00 0.00 H new ATOM 706 N ALA A 48 -16.283 -3.695 0.683 1.00 0.00 N ATOM 707 CA ALA A 48 -15.130 -2.836 0.440 1.00 0.00 C ATOM 708 C ALA A 48 -15.550 -1.488 -0.130 1.00 0.00 C ATOM 709 O ALA A 48 -16.734 -1.151 -0.159 1.00 0.00 O ATOM 710 CB ALA A 48 -14.151 -3.512 -0.506 1.00 0.00 C ATOM 0 H ALA A 48 -16.670 -4.130 -0.155 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.642 -2.664 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.297 -2.856 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.808 -4.448 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.645 -3.717 -1.456 1.00 0.00 H new ATOM 716 N ARG A 49 -14.565 -0.728 -0.594 1.00 0.00 N ATOM 717 CA ARG A 49 -14.809 0.579 -1.182 1.00 0.00 C ATOM 718 C ARG A 49 -13.811 0.839 -2.308 1.00 0.00 C ATOM 719 O ARG A 49 -12.645 0.457 -2.212 1.00 0.00 O ATOM 720 CB ARG A 49 -14.725 1.676 -0.111 1.00 0.00 C ATOM 721 CG ARG A 49 -13.306 2.129 0.211 1.00 0.00 C ATOM 722 CD ARG A 49 -13.078 2.280 1.711 1.00 0.00 C ATOM 723 NE ARG A 49 -14.294 2.671 2.425 1.00 0.00 N ATOM 724 CZ ARG A 49 -14.721 3.927 2.536 1.00 0.00 C ATOM 725 NH1 ARG A 49 -14.037 4.921 1.982 1.00 0.00 N ATOM 726 NH2 ARG A 49 -15.837 4.191 3.202 1.00 0.00 N ATOM 0 H ARG A 49 -13.582 -1.000 -0.573 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.815 0.595 -1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.303 2.538 -0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.194 1.312 0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.595 1.408 -0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.109 3.081 -0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.710 1.338 2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.303 3.026 1.884 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.848 1.936 2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.179 4.725 1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.370 5.881 2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.368 3.432 3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.165 5.153 3.287 1.00 0.00 H new ATOM 740 N GLU A 50 -14.277 1.478 -3.377 1.00 0.00 N ATOM 741 CA GLU A 50 -13.428 1.775 -4.529 1.00 0.00 C ATOM 742 C GLU A 50 -12.064 2.316 -4.100 1.00 0.00 C ATOM 743 O GLU A 50 -11.066 2.133 -4.796 1.00 0.00 O ATOM 744 CB GLU A 50 -14.119 2.783 -5.449 1.00 0.00 C ATOM 745 CG GLU A 50 -13.737 2.632 -6.912 1.00 0.00 C ATOM 746 CD GLU A 50 -14.576 3.504 -7.826 1.00 0.00 C ATOM 747 OE1 GLU A 50 -14.935 4.626 -7.410 1.00 0.00 O ATOM 748 OE2 GLU A 50 -14.874 3.066 -8.957 1.00 0.00 O ATOM 0 H GLU A 50 -15.240 1.801 -3.471 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.266 0.841 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.199 2.671 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.871 3.792 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.685 2.887 -7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.849 1.589 -7.207 1.00 0.00 H new ATOM 755 N SER A 51 -12.032 2.984 -2.956 1.00 0.00 N ATOM 756 CA SER A 51 -10.797 3.558 -2.439 1.00 0.00 C ATOM 757 C SER A 51 -9.705 2.501 -2.279 1.00 0.00 C ATOM 758 O SER A 51 -8.674 2.557 -2.951 1.00 0.00 O ATOM 759 CB SER A 51 -11.059 4.242 -1.099 1.00 0.00 C ATOM 760 OG SER A 51 -12.228 5.041 -1.159 1.00 0.00 O ATOM 0 H SER A 51 -12.849 3.142 -2.366 1.00 0.00 H new ATOM 0 HA SER A 51 -10.445 4.294 -3.162 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.167 3.490 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.204 4.861 -0.829 1.00 0.00 H new ATOM 0 HG SER A 51 -11.976 5.980 -1.283 1.00 0.00 H new ATOM 766 N GLU A 52 -9.925 1.546 -1.377 1.00 0.00 N ATOM 767 CA GLU A 52 -8.949 0.496 -1.124 1.00 0.00 C ATOM 768 C GLU A 52 -8.547 -0.230 -2.407 1.00 0.00 C ATOM 769 O GLU A 52 -7.385 -0.179 -2.812 1.00 0.00 O ATOM 770 CB GLU A 52 -9.498 -0.488 -0.095 1.00 0.00 C ATOM 771 CG GLU A 52 -9.129 -0.114 1.331 1.00 0.00 C ATOM 772 CD GLU A 52 -10.137 0.825 1.966 1.00 0.00 C ATOM 773 OE1 GLU A 52 -10.386 1.905 1.390 1.00 0.00 O ATOM 774 OE2 GLU A 52 -10.677 0.480 3.038 1.00 0.00 O ATOM 0 H GLU A 52 -10.771 1.481 -0.811 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.049 0.964 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.583 -0.533 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.118 -1.486 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.053 -1.020 1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.146 0.356 1.337 1.00 0.00 H new ATOM 781 N LYS A 53 -9.501 -0.908 -3.042 1.00 0.00 N ATOM 782 CA LYS A 53 -9.221 -1.643 -4.279 1.00 0.00 C ATOM 783 C LYS A 53 -8.371 -0.811 -5.244 1.00 0.00 C ATOM 784 O LYS A 53 -7.326 -1.268 -5.718 1.00 0.00 O ATOM 785 CB LYS A 53 -10.521 -2.079 -4.962 1.00 0.00 C ATOM 786 CG LYS A 53 -11.551 -0.970 -5.104 1.00 0.00 C ATOM 787 CD LYS A 53 -12.040 -0.832 -6.541 1.00 0.00 C ATOM 788 CE LYS A 53 -12.451 -2.172 -7.132 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.435 -2.014 -8.239 1.00 0.00 N ATOM 0 H LYS A 53 -10.469 -0.965 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.653 -2.533 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.285 -2.470 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.961 -2.898 -4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.398 -1.175 -4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.116 -0.026 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.887 -0.147 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.252 -0.392 -7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.567 -2.691 -7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.882 -2.797 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.086 -2.825 -8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.976 -1.137 -8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.931 -1.969 -9.148 1.00 0.00 H new ATOM 803 N VAL A 54 -8.809 0.417 -5.521 1.00 0.00 N ATOM 804 CA VAL A 54 -8.066 1.297 -6.413 1.00 0.00 C ATOM 805 C VAL A 54 -6.663 1.520 -5.866 1.00 0.00 C ATOM 806 O VAL A 54 -5.698 1.634 -6.621 1.00 0.00 O ATOM 807 CB VAL A 54 -8.776 2.655 -6.596 1.00 0.00 C ATOM 808 CG1 VAL A 54 -7.899 3.630 -7.370 1.00 0.00 C ATOM 809 CG2 VAL A 54 -10.111 2.461 -7.298 1.00 0.00 C ATOM 0 H VAL A 54 -9.667 0.819 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.011 0.814 -7.389 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.959 3.081 -5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.423 4.579 -7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.969 3.793 -6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.677 3.217 -8.354 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.601 3.427 -7.421 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.945 2.011 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.745 1.806 -6.700 1.00 0.00 H new ATOM 819 N PHE A 55 -6.560 1.558 -4.543 1.00 0.00 N ATOM 820 CA PHE A 55 -5.278 1.740 -3.886 1.00 0.00 C ATOM 821 C PHE A 55 -4.368 0.558 -4.197 1.00 0.00 C ATOM 822 O PHE A 55 -3.205 0.735 -4.555 1.00 0.00 O ATOM 823 CB PHE A 55 -5.470 1.877 -2.374 1.00 0.00 C ATOM 824 CG PHE A 55 -4.439 2.742 -1.699 1.00 0.00 C ATOM 825 CD1 PHE A 55 -3.173 2.901 -2.243 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.740 3.392 -0.514 1.00 0.00 C ATOM 827 CE1 PHE A 55 -2.230 3.693 -1.617 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.801 4.185 0.116 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.544 4.336 -0.436 1.00 0.00 C ATOM 0 H PHE A 55 -7.351 1.465 -3.906 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.815 2.654 -4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.459 2.291 -2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.447 0.884 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.922 2.400 -3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.721 3.277 -0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.248 3.809 -2.051 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.049 4.687 1.040 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.808 4.956 0.055 1.00 0.00 H new ATOM 839 N ALA A 56 -4.915 -0.652 -4.075 1.00 0.00 N ATOM 840 CA ALA A 56 -4.157 -1.865 -4.360 1.00 0.00 C ATOM 841 C ALA A 56 -3.625 -1.837 -5.785 1.00 0.00 C ATOM 842 O ALA A 56 -2.453 -2.125 -6.028 1.00 0.00 O ATOM 843 CB ALA A 56 -5.017 -3.103 -4.143 1.00 0.00 C ATOM 0 H ALA A 56 -5.878 -0.815 -3.781 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.313 -1.908 -3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.431 -3.996 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.354 -3.135 -3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.882 -3.066 -4.805 1.00 0.00 H new ATOM 849 N GLN A 57 -4.493 -1.480 -6.727 1.00 0.00 N ATOM 850 CA GLN A 57 -4.094 -1.408 -8.127 1.00 0.00 C ATOM 851 C GLN A 57 -3.013 -0.346 -8.320 1.00 0.00 C ATOM 852 O GLN A 57 -2.008 -0.577 -8.997 1.00 0.00 O ATOM 853 CB GLN A 57 -5.302 -1.094 -9.011 1.00 0.00 C ATOM 854 CG GLN A 57 -6.415 -2.124 -8.909 1.00 0.00 C ATOM 855 CD GLN A 57 -6.059 -3.437 -9.580 1.00 0.00 C ATOM 856 OE1 GLN A 57 -5.033 -4.045 -9.276 1.00 0.00 O ATOM 857 NE2 GLN A 57 -6.907 -3.880 -10.501 1.00 0.00 N ATOM 0 H GLN A 57 -5.468 -1.238 -6.548 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.689 -2.377 -8.419 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.697 -0.116 -8.737 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.975 -1.027 -10.049 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.640 -2.307 -7.858 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.320 -1.722 -9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.746 -3.344 -10.722 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.719 -4.757 -10.988 1.00 0.00 H new ATOM 866 N THR A 58 -3.226 0.817 -7.712 1.00 0.00 N ATOM 867 CA THR A 58 -2.277 1.919 -7.809 1.00 0.00 C ATOM 868 C THR A 58 -0.915 1.514 -7.259 1.00 0.00 C ATOM 869 O THR A 58 0.093 1.578 -7.963 1.00 0.00 O ATOM 870 CB THR A 58 -2.801 3.139 -7.053 1.00 0.00 C ATOM 871 OG1 THR A 58 -4.082 3.511 -7.529 1.00 0.00 O ATOM 872 CG2 THR A 58 -1.898 4.348 -7.168 1.00 0.00 C ATOM 0 H THR A 58 -4.050 1.020 -7.146 1.00 0.00 H new ATOM 0 HA THR A 58 -2.163 2.174 -8.863 1.00 0.00 H new ATOM 0 HB THR A 58 -2.842 2.836 -6.007 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.750 2.871 -7.205 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.329 5.178 -6.608 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.915 4.108 -6.762 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.799 4.630 -8.216 1.00 0.00 H new ATOM 880 N VAL A 59 -0.890 1.096 -5.997 1.00 0.00 N ATOM 881 CA VAL A 59 0.353 0.684 -5.366 1.00 0.00 C ATOM 882 C VAL A 59 0.989 -0.472 -6.127 1.00 0.00 C ATOM 883 O VAL A 59 2.177 -0.438 -6.444 1.00 0.00 O ATOM 884 CB VAL A 59 0.148 0.280 -3.890 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.888 -0.822 -3.754 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.464 -0.157 -3.278 1.00 0.00 C ATOM 0 H VAL A 59 -1.712 1.035 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 59 1.020 1.546 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.222 1.153 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.007 -1.082 -2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.842 -0.476 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.560 -1.700 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.305 -0.439 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.856 -1.011 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.178 0.665 -3.326 1.00 0.00 H new ATOM 896 N LEU A 60 0.191 -1.492 -6.429 1.00 0.00 N ATOM 897 CA LEU A 60 0.685 -2.647 -7.163 1.00 0.00 C ATOM 898 C LEU A 60 1.333 -2.213 -8.475 1.00 0.00 C ATOM 899 O LEU A 60 2.298 -2.822 -8.935 1.00 0.00 O ATOM 900 CB LEU A 60 -0.458 -3.626 -7.438 1.00 0.00 C ATOM 901 CG LEU A 60 -0.098 -4.809 -8.337 1.00 0.00 C ATOM 902 CD1 LEU A 60 0.607 -5.894 -7.535 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.343 -5.364 -9.015 1.00 0.00 C ATOM 0 H LEU A 60 -0.796 -1.540 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 60 1.439 -3.146 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.822 -4.011 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.282 -3.079 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 60 0.584 -4.458 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.856 -6.728 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.521 -5.489 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.050 -6.243 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.067 -6.205 -9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.051 -5.699 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.804 -4.586 -9.623 1.00 0.00 H new ATOM 915 N SER A 61 0.787 -1.160 -9.076 1.00 0.00 N ATOM 916 CA SER A 61 1.304 -0.648 -10.340 1.00 0.00 C ATOM 917 C SER A 61 2.646 0.064 -10.168 1.00 0.00 C ATOM 918 O SER A 61 3.599 -0.226 -10.891 1.00 0.00 O ATOM 919 CB SER A 61 0.298 0.304 -10.980 1.00 0.00 C ATOM 920 OG SER A 61 -0.936 -0.346 -11.231 1.00 0.00 O ATOM 0 H SER A 61 -0.013 -0.645 -8.708 1.00 0.00 H new ATOM 0 HA SER A 61 1.462 -1.508 -10.991 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.135 1.159 -10.324 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.704 0.692 -11.914 1.00 0.00 H new ATOM 0 HG SER A 61 -1.551 -0.180 -10.486 1.00 0.00 H new ATOM 926 N HIS A 62 2.727 1.002 -9.222 1.00 0.00 N ATOM 927 CA HIS A 62 3.963 1.734 -8.999 1.00 0.00 C ATOM 928 C HIS A 62 5.051 0.807 -8.466 1.00 0.00 C ATOM 929 O HIS A 62 6.241 1.060 -8.646 1.00 0.00 O ATOM 930 CB HIS A 62 3.719 2.891 -8.034 1.00 0.00 C ATOM 931 CG HIS A 62 4.231 4.205 -8.539 1.00 0.00 C ATOM 932 ND1 HIS A 62 5.532 4.397 -8.957 1.00 0.00 N ATOM 933 CD2 HIS A 62 3.610 5.399 -8.693 1.00 0.00 C ATOM 934 CE1 HIS A 62 5.688 5.650 -9.345 1.00 0.00 C ATOM 935 NE2 HIS A 62 4.537 6.279 -9.195 1.00 0.00 N ATOM 0 H HIS A 62 1.957 1.266 -8.607 1.00 0.00 H new ATOM 0 HA HIS A 62 4.304 2.140 -9.951 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.649 2.976 -7.843 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.196 2.666 -7.080 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.578 5.618 -8.464 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.602 6.086 -9.721 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.364 7.260 -9.416 1.00 0.00 H new ATOM 944 N VAL A 63 4.629 -0.276 -7.823 1.00 0.00 N ATOM 945 CA VAL A 63 5.556 -1.258 -7.276 1.00 0.00 C ATOM 946 C VAL A 63 5.696 -2.444 -8.222 1.00 0.00 C ATOM 947 O VAL A 63 5.907 -3.576 -7.789 1.00 0.00 O ATOM 948 CB VAL A 63 5.078 -1.781 -5.921 1.00 0.00 C ATOM 949 CG1 VAL A 63 6.171 -2.542 -5.195 1.00 0.00 C ATOM 950 CG2 VAL A 63 4.536 -0.659 -5.057 1.00 0.00 C ATOM 0 H VAL A 63 3.645 -0.496 -7.668 1.00 0.00 H new ATOM 0 HA VAL A 63 6.516 -0.758 -7.152 1.00 0.00 H new ATOM 0 HB VAL A 63 4.264 -2.480 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.792 -2.897 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.485 -3.393 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.023 -1.883 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.204 -1.064 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.319 0.080 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.694 -0.185 -5.562 1.00 0.00 H new ATOM 960 N ALA A 64 5.561 -2.180 -9.516 1.00 0.00 N ATOM 961 CA ALA A 64 5.658 -3.230 -10.520 1.00 0.00 C ATOM 962 C ALA A 64 7.087 -3.767 -10.626 1.00 0.00 C ATOM 963 O ALA A 64 7.705 -3.671 -11.686 1.00 0.00 O ATOM 964 CB ALA A 64 5.188 -2.704 -11.869 1.00 0.00 C ATOM 0 H ALA A 64 5.384 -1.249 -9.893 1.00 0.00 H new ATOM 0 HA ALA A 64 5.015 -4.055 -10.214 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.264 -3.496 -12.615 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.151 -2.377 -11.791 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.812 -1.862 -12.169 1.00 0.00 H new ATOM 970 N ASN A 65 7.596 -4.342 -9.521 1.00 0.00 N ATOM 971 CA ASN A 65 8.958 -4.914 -9.463 1.00 0.00 C ATOM 972 C ASN A 65 9.619 -4.647 -8.108 1.00 0.00 C ATOM 973 O ASN A 65 9.776 -5.556 -7.294 1.00 0.00 O ATOM 974 CB ASN A 65 9.874 -4.356 -10.564 1.00 0.00 C ATOM 975 CG ASN A 65 9.968 -5.268 -11.775 1.00 0.00 C ATOM 976 OD1 ASN A 65 8.863 -5.916 -12.128 1.00 0.00 O flip ATOM 977 ND2 ASN A 65 11.029 -5.391 -12.388 1.00 0.00 N flip ATOM 0 H ASN A 65 7.079 -4.424 -8.646 1.00 0.00 H new ATOM 0 HA ASN A 65 8.835 -5.987 -9.613 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.503 -3.381 -10.878 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.872 -4.200 -10.155 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.856 -4.876 -12.085 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.081 -6.008 -13.199 1.00 0.00 H new ATOM 984 N VAL A 66 10.017 -3.391 -7.888 1.00 0.00 N ATOM 985 CA VAL A 66 10.684 -2.979 -6.648 1.00 0.00 C ATOM 986 C VAL A 66 11.681 -4.037 -6.155 1.00 0.00 C ATOM 987 O VAL A 66 12.314 -4.715 -6.964 1.00 0.00 O ATOM 988 CB VAL A 66 9.656 -2.646 -5.556 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.746 -1.533 -6.043 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.868 -3.887 -5.162 1.00 0.00 C ATOM 0 H VAL A 66 9.887 -2.634 -8.560 1.00 0.00 H new ATOM 0 HA VAL A 66 11.252 -2.076 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 66 10.175 -2.300 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.016 -1.295 -5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.341 -0.647 -6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.227 -1.856 -6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.146 -3.629 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.342 -4.276 -6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.551 -4.646 -4.782 1.00 0.00 H new ATOM 1000 N VAL A 67 11.828 -4.178 -4.836 1.00 0.00 N ATOM 1001 CA VAL A 67 12.764 -5.162 -4.283 1.00 0.00 C ATOM 1002 C VAL A 67 12.424 -5.539 -2.845 1.00 0.00 C ATOM 1003 O VAL A 67 12.778 -6.619 -2.375 1.00 0.00 O ATOM 1004 CB VAL A 67 14.224 -4.665 -4.351 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.515 -3.665 -3.241 1.00 0.00 C ATOM 1006 CG2 VAL A 67 15.186 -5.841 -4.282 1.00 0.00 C ATOM 0 H VAL A 67 11.320 -3.633 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 67 12.663 -6.051 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 67 14.366 -4.155 -5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.550 -3.332 -3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.850 -2.807 -3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.353 -4.139 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 67 16.212 -5.475 -4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.037 -6.379 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 67 15.000 -6.513 -5.120 1.00 0.00 H new ATOM 1016 N LEU A 68 11.729 -4.643 -2.166 1.00 0.00 N ATOM 1017 CA LEU A 68 11.303 -4.851 -0.785 1.00 0.00 C ATOM 1018 C LEU A 68 12.336 -5.596 0.051 1.00 0.00 C ATOM 1019 O LEU A 68 12.332 -6.822 0.105 1.00 0.00 O ATOM 1020 CB LEU A 68 9.977 -5.616 -0.763 1.00 0.00 C ATOM 1021 CG LEU A 68 8.894 -5.059 -1.690 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.410 -6.128 -2.659 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.731 -4.506 -0.883 1.00 0.00 C ATOM 0 H LEU A 68 11.441 -3.745 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 68 11.182 -3.864 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.169 -6.654 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.594 -5.620 0.257 1.00 0.00 H new ATOM 0 HG LEU A 68 9.329 -4.245 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.641 -5.709 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.247 -6.475 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.996 -6.966 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.972 -4.115 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.300 -5.301 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.086 -3.705 -0.235 1.00 0.00 H new ATOM 1035 N THR A 69 13.200 -4.850 0.727 1.00 0.00 N ATOM 1036 CA THR A 69 14.211 -5.457 1.580 1.00 0.00 C ATOM 1037 C THR A 69 13.538 -6.195 2.733 1.00 0.00 C ATOM 1038 O THR A 69 12.314 -6.166 2.861 1.00 0.00 O ATOM 1039 CB THR A 69 15.166 -4.390 2.119 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.550 -3.640 3.151 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.634 -3.416 1.059 1.00 0.00 C ATOM 0 H THR A 69 13.221 -3.831 0.701 1.00 0.00 H new ATOM 0 HA THR A 69 14.789 -6.169 0.991 1.00 0.00 H new ATOM 0 HB THR A 69 16.031 -4.938 2.493 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.177 -2.964 3.483 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.308 -2.686 1.508 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.158 -3.959 0.272 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.773 -2.901 0.633 1.00 0.00 H new ATOM 1049 N GLN A 70 14.337 -6.855 3.567 1.00 0.00 N ATOM 1050 CA GLN A 70 13.812 -7.603 4.711 1.00 0.00 C ATOM 1051 C GLN A 70 12.706 -6.823 5.426 1.00 0.00 C ATOM 1052 O GLN A 70 11.757 -7.410 5.950 1.00 0.00 O ATOM 1053 CB GLN A 70 14.952 -7.934 5.680 1.00 0.00 C ATOM 1054 CG GLN A 70 14.492 -8.323 7.077 1.00 0.00 C ATOM 1055 CD GLN A 70 14.544 -7.158 8.045 1.00 0.00 C ATOM 1056 OE1 GLN A 70 13.573 -6.874 8.746 1.00 0.00 O ATOM 1057 NE2 GLN A 70 15.684 -6.477 8.088 1.00 0.00 N ATOM 0 H GLN A 70 15.352 -6.888 3.474 1.00 0.00 H new ATOM 0 HA GLN A 70 13.374 -8.531 4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 70 15.542 -8.751 5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.612 -7.070 5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 70 13.473 -8.706 7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 70 15.119 -9.132 7.452 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.463 -6.748 7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.780 -5.683 8.721 1.00 0.00 H new ATOM 1066 N GLU A 71 12.831 -5.500 5.432 1.00 0.00 N ATOM 1067 CA GLU A 71 11.841 -4.645 6.071 1.00 0.00 C ATOM 1068 C GLU A 71 10.502 -4.747 5.348 1.00 0.00 C ATOM 1069 O GLU A 71 9.514 -5.212 5.918 1.00 0.00 O ATOM 1070 CB GLU A 71 12.328 -3.194 6.089 1.00 0.00 C ATOM 1071 CG GLU A 71 12.066 -2.481 7.407 1.00 0.00 C ATOM 1072 CD GLU A 71 13.103 -2.810 8.464 1.00 0.00 C ATOM 1073 OE1 GLU A 71 14.127 -2.098 8.532 1.00 0.00 O ATOM 1074 OE2 GLU A 71 12.890 -3.778 9.224 1.00 0.00 O ATOM 0 H GLU A 71 13.608 -4.998 5.002 1.00 0.00 H new ATOM 0 HA GLU A 71 11.704 -4.980 7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.398 -3.176 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.838 -2.645 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.054 -1.404 7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.078 -2.757 7.775 1.00 0.00 H new ATOM 1081 N ASP A 72 10.474 -4.322 4.087 1.00 0.00 N ATOM 1082 CA ASP A 72 9.251 -4.382 3.296 1.00 0.00 C ATOM 1083 C ASP A 72 8.762 -5.824 3.177 1.00 0.00 C ATOM 1084 O ASP A 72 7.560 -6.082 3.147 1.00 0.00 O ATOM 1085 CB ASP A 72 9.469 -3.777 1.913 1.00 0.00 C ATOM 1086 CG ASP A 72 10.001 -2.359 1.979 1.00 0.00 C ATOM 1087 OD1 ASP A 72 9.338 -1.505 2.605 1.00 0.00 O ATOM 1088 OD2 ASP A 72 11.080 -2.102 1.405 1.00 0.00 O ATOM 0 H ASP A 72 11.279 -3.935 3.595 1.00 0.00 H new ATOM 0 HA ASP A 72 8.486 -3.797 3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.168 -4.399 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.527 -3.784 1.364 1.00 0.00 H new ATOM 1093 N THR A 73 9.700 -6.771 3.130 1.00 0.00 N ATOM 1094 CA THR A 73 9.343 -8.186 3.047 1.00 0.00 C ATOM 1095 C THR A 73 8.442 -8.551 4.218 1.00 0.00 C ATOM 1096 O THR A 73 7.274 -8.900 4.033 1.00 0.00 O ATOM 1097 CB THR A 73 10.596 -9.063 3.054 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.641 -8.456 2.316 1.00 0.00 O ATOM 1099 CG2 THR A 73 10.362 -10.438 2.467 1.00 0.00 C ATOM 0 H THR A 73 10.703 -6.586 3.148 1.00 0.00 H new ATOM 0 HA THR A 73 8.812 -8.360 2.111 1.00 0.00 H new ATOM 0 HB THR A 73 10.867 -9.170 4.104 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.512 -7.485 2.305 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.289 -11.011 2.501 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.595 -10.954 3.044 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.033 -10.341 1.432 1.00 0.00 H new ATOM 1107 N ALA A 74 8.977 -8.427 5.431 1.00 0.00 N ATOM 1108 CA ALA A 74 8.195 -8.705 6.628 1.00 0.00 C ATOM 1109 C ALA A 74 6.962 -7.809 6.643 1.00 0.00 C ATOM 1110 O ALA A 74 5.922 -8.157 7.202 1.00 0.00 O ATOM 1111 CB ALA A 74 9.035 -8.484 7.877 1.00 0.00 C ATOM 0 H ALA A 74 9.939 -8.139 5.608 1.00 0.00 H new ATOM 0 HA ALA A 74 7.879 -9.748 6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.435 -8.696 8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.899 -9.148 7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.374 -7.449 7.909 1.00 0.00 H new ATOM 1117 N LYS A 75 7.099 -6.652 5.997 1.00 0.00 N ATOM 1118 CA LYS A 75 6.022 -5.679 5.886 1.00 0.00 C ATOM 1119 C LYS A 75 4.790 -6.321 5.239 1.00 0.00 C ATOM 1120 O LYS A 75 3.749 -6.483 5.889 1.00 0.00 O ATOM 1121 CB LYS A 75 6.521 -4.496 5.057 1.00 0.00 C ATOM 1122 CG LYS A 75 5.958 -3.149 5.467 1.00 0.00 C ATOM 1123 CD LYS A 75 6.854 -2.439 6.463 1.00 0.00 C ATOM 1124 CE LYS A 75 8.022 -1.751 5.775 1.00 0.00 C ATOM 1125 NZ LYS A 75 9.308 -2.000 6.483 1.00 0.00 N ATOM 0 H LYS A 75 7.963 -6.366 5.536 1.00 0.00 H new ATOM 0 HA LYS A 75 5.729 -5.330 6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.608 -4.456 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.274 -4.674 4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.832 -2.524 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.969 -3.287 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.272 -1.702 7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.232 -3.158 7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.099 -2.106 4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.835 -0.678 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.100 -1.853 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.396 -1.343 7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.327 -2.979 6.835 1.00 0.00 H new ATOM 1139 N LEU A 76 4.915 -6.720 3.965 1.00 0.00 N ATOM 1140 CA LEU A 76 3.808 -7.375 3.268 1.00 0.00 C ATOM 1141 C LEU A 76 3.379 -8.595 4.059 1.00 0.00 C ATOM 1142 O LEU A 76 2.194 -8.892 4.178 1.00 0.00 O ATOM 1143 CB LEU A 76 4.200 -7.813 1.853 1.00 0.00 C ATOM 1144 CG LEU A 76 4.200 -6.701 0.800 1.00 0.00 C ATOM 1145 CD1 LEU A 76 5.610 -6.458 0.272 1.00 0.00 C ATOM 1146 CD2 LEU A 76 3.246 -7.041 -0.342 1.00 0.00 C ATOM 0 H LEU A 76 5.760 -6.601 3.406 1.00 0.00 H new ATOM 0 HA LEU A 76 2.993 -6.656 3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.195 -8.256 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.515 -8.597 1.530 1.00 0.00 H new ATOM 0 HG LEU A 76 3.852 -5.783 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.587 -5.664 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.261 -6.163 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.991 -7.373 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.261 -6.238 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.560 -7.973 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.235 -7.155 0.050 1.00 0.00 H new ATOM 1158 N LEU A 77 4.368 -9.293 4.607 1.00 0.00 N ATOM 1159 CA LEU A 77 4.113 -10.482 5.403 1.00 0.00 C ATOM 1160 C LEU A 77 3.168 -10.160 6.548 1.00 0.00 C ATOM 1161 O LEU A 77 2.182 -10.859 6.773 1.00 0.00 O ATOM 1162 CB LEU A 77 5.428 -11.040 5.953 1.00 0.00 C ATOM 1163 CG LEU A 77 5.824 -12.401 5.389 1.00 0.00 C ATOM 1164 CD1 LEU A 77 7.285 -12.408 4.966 1.00 0.00 C ATOM 1165 CD2 LEU A 77 5.553 -13.503 6.403 1.00 0.00 C ATOM 0 H LEU A 77 5.355 -9.053 4.513 1.00 0.00 H new ATOM 0 HA LEU A 77 3.647 -11.233 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.226 -10.328 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.349 -11.119 7.037 1.00 0.00 H new ATOM 0 HG LEU A 77 5.215 -12.591 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.544 -13.389 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.445 -11.651 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.915 -12.190 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.842 -14.465 5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.131 -13.315 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.491 -13.519 6.648 1.00 0.00 H new ATOM 1177 N GLN A 78 3.482 -9.095 7.270 1.00 0.00 N ATOM 1178 CA GLN A 78 2.667 -8.682 8.398 1.00 0.00 C ATOM 1179 C GLN A 78 1.244 -8.347 7.964 1.00 0.00 C ATOM 1180 O GLN A 78 0.282 -8.936 8.458 1.00 0.00 O ATOM 1181 CB GLN A 78 3.299 -7.480 9.102 1.00 0.00 C ATOM 1182 CG GLN A 78 4.267 -7.864 10.210 1.00 0.00 C ATOM 1183 CD GLN A 78 3.928 -7.211 11.536 1.00 0.00 C ATOM 1184 OE1 GLN A 78 3.469 -7.872 12.468 1.00 0.00 O ATOM 1185 NE2 GLN A 78 4.155 -5.905 11.629 1.00 0.00 N ATOM 0 H GLN A 78 4.294 -8.503 7.094 1.00 0.00 H new ATOM 0 HA GLN A 78 2.619 -9.518 9.096 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.825 -6.873 8.365 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.508 -6.858 9.521 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.262 -8.947 10.331 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.278 -7.580 9.918 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.536 -5.396 10.832 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.948 -5.412 12.498 1.00 0.00 H new ATOM 1194 N SER A 79 1.109 -7.397 7.048 1.00 0.00 N ATOM 1195 CA SER A 79 -0.212 -6.993 6.575 1.00 0.00 C ATOM 1196 C SER A 79 -0.906 -8.122 5.816 1.00 0.00 C ATOM 1197 O SER A 79 -1.975 -8.585 6.216 1.00 0.00 O ATOM 1198 CB SER A 79 -0.106 -5.756 5.683 1.00 0.00 C ATOM 1199 OG SER A 79 1.164 -5.680 5.061 1.00 0.00 O ATOM 0 H SER A 79 1.888 -6.895 6.621 1.00 0.00 H new ATOM 0 HA SER A 79 -0.814 -6.753 7.452 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.885 -5.786 4.922 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.276 -4.859 6.279 1.00 0.00 H new ATOM 0 HG SER A 79 1.051 -5.655 4.088 1.00 0.00 H new ATOM 1205 N THR A 80 -0.301 -8.552 4.714 1.00 0.00 N ATOM 1206 CA THR A 80 -0.869 -9.615 3.890 1.00 0.00 C ATOM 1207 C THR A 80 -1.274 -10.830 4.730 1.00 0.00 C ATOM 1208 O THR A 80 -2.351 -11.394 4.534 1.00 0.00 O ATOM 1209 CB THR A 80 0.119 -10.018 2.785 1.00 0.00 C ATOM 1210 OG1 THR A 80 -0.576 -10.422 1.621 1.00 0.00 O ATOM 1211 CG2 THR A 80 1.056 -11.146 3.170 1.00 0.00 C ATOM 0 H THR A 80 0.584 -8.181 4.370 1.00 0.00 H new ATOM 0 HA THR A 80 -1.776 -9.228 3.425 1.00 0.00 H new ATOM 0 HB THR A 80 0.720 -9.126 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.052 -10.836 0.993 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.720 -11.369 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.648 -10.848 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.474 -12.034 3.418 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.083 -11.583 -0.013 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.414 -10.705 -1.133 1.00 0.00 C ATOM 1324 C ASN A 87 -3.173 -10.407 -1.967 1.00 0.00 C ATOM 1325 O ASN A 87 -3.232 -10.323 -3.204 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.016 -9.394 -0.617 1.00 0.00 C ATOM 1327 CG ASN A 87 -5.241 -8.376 -1.722 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -5.308 -8.725 -2.901 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -5.359 -7.108 -1.344 1.00 0.00 N ATOM 0 HA ASN A 87 -5.145 -11.213 -1.761 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.965 -9.604 -0.124 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.354 -8.966 0.136 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -5.511 -6.380 -2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.297 -6.863 -0.356 1.00 0.00 H new ATOM 1336 N TYR A 88 -2.047 -10.226 -1.288 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.815 -9.917 -1.975 1.00 0.00 C ATOM 1338 C TYR A 88 0.141 -11.101 -1.987 1.00 0.00 C ATOM 1339 O TYR A 88 0.239 -11.853 -1.018 1.00 0.00 O ATOM 1340 CB TYR A 88 -0.163 -8.686 -1.347 1.00 0.00 C ATOM 1341 CG TYR A 88 -0.721 -7.395 -1.895 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -2.095 -7.197 -1.999 1.00 0.00 C ATOM 1343 CD2 TYR A 88 0.122 -6.387 -2.338 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -2.609 -6.031 -2.533 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -0.383 -5.215 -2.867 1.00 0.00 C ATOM 1346 CZ TYR A 88 -1.748 -5.043 -2.965 1.00 0.00 C ATOM 1347 OH TYR A 88 -2.254 -3.883 -3.505 1.00 0.00 O ATOM 0 H TYR A 88 -1.969 -10.288 -0.273 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.054 -9.696 -3.015 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.309 -8.712 -0.267 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.912 -8.718 -1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.770 -7.967 -1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.191 -6.520 -2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.677 -5.894 -2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.288 -4.437 -3.202 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.001 -3.122 -2.942 1.00 0.00 H new ATOM 1357 N ASP A 89 0.837 -11.258 -3.109 1.00 0.00 N ATOM 1358 CA ASP A 89 1.777 -12.335 -3.293 1.00 0.00 C ATOM 1359 C ASP A 89 3.197 -11.759 -3.315 1.00 0.00 C ATOM 1360 O ASP A 89 3.401 -10.597 -3.681 1.00 0.00 O ATOM 1361 CB ASP A 89 1.396 -13.066 -4.588 1.00 0.00 C ATOM 1362 CG ASP A 89 2.581 -13.561 -5.399 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.543 -14.078 -4.794 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.541 -13.439 -6.640 1.00 0.00 O ATOM 0 H ASP A 89 0.758 -10.635 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 89 1.748 -13.057 -2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.761 -13.916 -4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.801 -12.396 -5.208 1.00 0.00 H new ATOM 1369 N LEU A 90 4.169 -12.545 -2.887 1.00 0.00 N ATOM 1370 CA LEU A 90 5.544 -12.053 -2.826 1.00 0.00 C ATOM 1371 C LEU A 90 6.580 -13.068 -3.293 1.00 0.00 C ATOM 1372 O LEU A 90 6.368 -14.279 -3.231 1.00 0.00 O ATOM 1373 CB LEU A 90 5.878 -11.638 -1.392 1.00 0.00 C ATOM 1374 CG LEU A 90 5.003 -10.526 -0.808 1.00 0.00 C ATOM 1375 CD1 LEU A 90 4.581 -10.867 0.614 1.00 0.00 C ATOM 1376 CD2 LEU A 90 5.744 -9.200 -0.843 1.00 0.00 C ATOM 0 H LEU A 90 4.042 -13.510 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 90 5.593 -11.205 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.797 -12.515 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.918 -11.314 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 90 4.104 -10.437 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.960 -10.064 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.014 -11.798 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.467 -10.983 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.110 -8.418 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.659 -9.279 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.995 -8.951 -1.874 1.00 0.00 H new ATOM 1388 N ARG A 91 7.725 -12.538 -3.721 1.00 0.00 N ATOM 1389 CA ARG A 91 8.854 -13.352 -4.165 1.00 0.00 C ATOM 1390 C ARG A 91 10.104 -12.897 -3.417 1.00 0.00 C ATOM 1391 O ARG A 91 10.195 -11.741 -3.043 1.00 0.00 O ATOM 1392 CB ARG A 91 9.057 -13.216 -5.676 1.00 0.00 C ATOM 1393 CG ARG A 91 7.866 -13.688 -6.493 1.00 0.00 C ATOM 1394 CD ARG A 91 7.571 -15.160 -6.248 1.00 0.00 C ATOM 1395 NE ARG A 91 8.675 -16.018 -6.670 1.00 0.00 N ATOM 1396 CZ ARG A 91 8.889 -16.387 -7.931 1.00 0.00 C ATOM 1397 NH1 ARG A 91 8.086 -15.963 -8.899 1.00 0.00 N ATOM 1398 NH2 ARG A 91 9.910 -17.181 -8.226 1.00 0.00 N ATOM 0 H ARG A 91 7.895 -11.533 -3.769 1.00 0.00 H new ATOM 0 HA ARG A 91 8.655 -14.402 -3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.260 -12.172 -5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.938 -13.787 -5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.989 -13.093 -6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.063 -13.527 -7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.374 -15.318 -5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.666 -15.443 -6.786 1.00 0.00 H new ATOM 0 HE ARG A 91 9.321 -16.355 -5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.300 -15.351 -8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.255 -16.249 -9.863 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.531 -17.509 -7.486 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.074 -17.464 -9.192 1.00 0.00 H new ATOM 1412 N SER A 92 11.051 -13.797 -3.174 1.00 0.00 N ATOM 1413 CA SER A 92 12.260 -13.435 -2.428 1.00 0.00 C ATOM 1414 C SER A 92 13.476 -13.265 -3.315 1.00 0.00 C ATOM 1415 O SER A 92 13.572 -13.829 -4.405 1.00 0.00 O ATOM 1416 CB SER A 92 12.553 -14.473 -1.347 1.00 0.00 C ATOM 1417 OG SER A 92 12.639 -15.777 -1.897 1.00 0.00 O ATOM 0 H SER A 92 11.011 -14.770 -3.476 1.00 0.00 H new ATOM 0 HA SER A 92 12.058 -12.467 -1.969 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.488 -14.225 -0.845 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.768 -14.446 -0.591 1.00 0.00 H new ATOM 0 HG SER A 92 12.829 -16.421 -1.183 1.00 0.00 H new ATOM 1423 N VAL A 93 14.395 -12.452 -2.807 1.00 0.00 N ATOM 1424 CA VAL A 93 15.627 -12.117 -3.457 1.00 0.00 C ATOM 1425 C VAL A 93 16.232 -10.940 -2.712 1.00 0.00 C ATOM 1426 O VAL A 93 15.545 -10.203 -2.015 1.00 0.00 O ATOM 1427 CB VAL A 93 15.445 -11.736 -4.945 1.00 0.00 C ATOM 1428 CG1 VAL A 93 15.633 -12.953 -5.840 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.087 -11.089 -5.183 1.00 0.00 C ATOM 0 H VAL A 93 14.286 -12.000 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 93 16.273 -12.995 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 93 16.211 -11.005 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.501 -12.662 -6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 93 16.636 -13.356 -5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.897 -13.714 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.986 -10.832 -6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.298 -11.786 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.004 -10.185 -4.579 1.00 0.00 H new ATOM 1467 N ASN A 97 15.372 -9.601 0.614 1.00 0.00 N ATOM 1468 CA ASN A 97 14.429 -8.716 -0.051 1.00 0.00 C ATOM 1469 C ASN A 97 13.413 -9.535 -0.833 1.00 0.00 C ATOM 1470 O ASN A 97 13.601 -10.734 -1.038 1.00 0.00 O ATOM 1471 CB ASN A 97 15.126 -7.707 -0.971 1.00 0.00 C ATOM 1472 CG ASN A 97 16.507 -7.311 -0.479 1.00 0.00 C ATOM 1473 OD1 ASN A 97 16.857 -7.539 0.679 1.00 0.00 O ATOM 1474 ND2 ASN A 97 17.298 -6.705 -1.358 1.00 0.00 N ATOM 0 HA ASN A 97 13.917 -8.141 0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.211 -8.133 -1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.507 -6.814 -1.057 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.235 -6.410 -1.082 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.969 -6.535 -2.308 1.00 0.00 H new ATOM 1481 N SER A 98 12.333 -8.907 -1.263 1.00 0.00 N ATOM 1482 CA SER A 98 11.319 -9.620 -2.017 1.00 0.00 C ATOM 1483 C SER A 98 10.661 -8.722 -3.050 1.00 0.00 C ATOM 1484 O SER A 98 10.726 -7.502 -2.972 1.00 0.00 O ATOM 1485 CB SER A 98 10.262 -10.208 -1.081 1.00 0.00 C ATOM 1486 OG SER A 98 8.971 -10.189 -1.671 1.00 0.00 O ATOM 0 H SER A 98 12.137 -7.918 -1.106 1.00 0.00 H new ATOM 0 HA SER A 98 11.816 -10.435 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.531 -11.233 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.245 -9.642 -0.150 1.00 0.00 H new ATOM 0 HG SER A 98 8.843 -11.002 -2.203 1.00 0.00 H new ATOM 1492 N VAL A 99 10.016 -9.347 -4.011 1.00 0.00 N ATOM 1493 CA VAL A 99 9.332 -8.627 -5.062 1.00 0.00 C ATOM 1494 C VAL A 99 7.841 -8.659 -4.798 1.00 0.00 C ATOM 1495 O VAL A 99 7.353 -9.569 -4.118 1.00 0.00 O ATOM 1496 CB VAL A 99 9.650 -9.261 -6.433 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.420 -9.906 -7.060 1.00 0.00 C ATOM 1498 CG2 VAL A 99 10.259 -8.232 -7.373 1.00 0.00 C ATOM 0 H VAL A 99 9.951 -10.362 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 99 9.672 -7.592 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 99 10.380 -10.052 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.688 -10.340 -8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.044 -10.689 -6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.647 -9.151 -7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.476 -8.700 -8.333 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.556 -7.412 -7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.182 -7.846 -6.941 1.00 0.00 H new ATOM 1508 N LEU A 100 7.111 -7.677 -5.318 1.00 0.00 N ATOM 1509 CA LEU A 100 5.687 -7.646 -5.088 1.00 0.00 C ATOM 1510 C LEU A 100 4.898 -8.112 -6.293 1.00 0.00 C ATOM 1511 O LEU A 100 4.750 -7.402 -7.290 1.00 0.00 O ATOM 1512 CB LEU A 100 5.213 -6.265 -4.671 1.00 0.00 C ATOM 1513 CG LEU A 100 3.755 -5.942 -5.006 1.00 0.00 C ATOM 1514 CD1 LEU A 100 2.842 -6.465 -3.922 1.00 0.00 C ATOM 1515 CD2 LEU A 100 3.560 -4.453 -5.202 1.00 0.00 C ATOM 0 H LEU A 100 7.478 -6.914 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 100 5.502 -8.343 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.352 -6.161 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.851 -5.521 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 100 3.500 -6.437 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.808 -6.229 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.958 -7.546 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.101 -5.998 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.515 -4.251 -5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.833 -3.927 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.191 -4.108 -6.021 1.00 0.00 H new ATOM 1527 N VAL A 101 4.329 -9.284 -6.135 1.00 0.00 N ATOM 1528 CA VAL A 101 3.456 -9.867 -7.123 1.00 0.00 C ATOM 1529 C VAL A 101 2.160 -10.094 -6.380 1.00 0.00 C ATOM 1530 O VAL A 101 2.092 -10.928 -5.496 1.00 0.00 O ATOM 1531 CB VAL A 101 3.994 -11.197 -7.691 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.827 -10.944 -8.936 1.00 0.00 C ATOM 1533 CG2 VAL A 101 4.803 -11.944 -6.641 1.00 0.00 C ATOM 0 H VAL A 101 4.462 -9.865 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 101 3.352 -9.215 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 101 3.145 -11.821 -7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.199 -11.892 -9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.211 -10.459 -9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.669 -10.299 -8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.172 -12.879 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.646 -11.329 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.170 -12.160 -5.780 1.00 0.00 H new ATOM 1543 N SER A 102 1.167 -9.281 -6.627 1.00 0.00 N ATOM 1544 CA SER A 102 -0.037 -9.388 -5.840 1.00 0.00 C ATOM 1545 C SER A 102 -1.293 -9.117 -6.617 1.00 0.00 C ATOM 1546 O SER A 102 -1.262 -8.521 -7.693 1.00 0.00 O ATOM 1547 CB SER A 102 0.064 -8.383 -4.691 1.00 0.00 C ATOM 1548 OG SER A 102 -1.167 -7.711 -4.479 1.00 0.00 O ATOM 0 H SER A 102 1.163 -8.556 -7.345 1.00 0.00 H new ATOM 0 HA SER A 102 -0.110 -10.417 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.359 -8.901 -3.778 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.844 -7.654 -4.911 1.00 0.00 H new ATOM 0 HG SER A 102 -1.075 -7.090 -3.727 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.401 -9.515 -5.991 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.739 -9.298 -6.501 1.00 0.00 C ATOM 1556 C LEU A 103 -4.594 -10.551 -6.443 1.00 0.00 C ATOM 1557 O LEU A 103 -4.960 -11.127 -7.467 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.779 -8.686 -7.907 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.929 -7.156 -7.952 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.397 -6.765 -7.955 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.216 -6.492 -6.778 1.00 0.00 C ATOM 0 H LEU A 103 -2.384 -10.007 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.168 -8.558 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.864 -8.961 -8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.608 -9.132 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.464 -6.806 -8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.484 -5.679 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.886 -7.194 -8.829 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.875 -7.141 -7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.342 -5.411 -6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.642 -6.854 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.154 -6.736 -6.812 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.954 -10.920 -5.225 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.824 -12.056 -4.982 1.00 0.00 C ATOM 1575 C ARG A 104 -7.248 -11.530 -4.773 1.00 0.00 C ATOM 1576 O ARG A 104 -8.136 -12.239 -4.302 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.333 -12.818 -3.751 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.739 -14.180 -4.066 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.492 -14.060 -4.926 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.286 -13.892 -4.118 1.00 0.00 N ATOM 1581 CZ ARG A 104 -1.813 -14.820 -3.288 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -2.434 -15.986 -3.164 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -0.717 -14.582 -2.580 1.00 0.00 N ATOM 0 H ARG A 104 -4.651 -10.440 -4.378 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.815 -12.742 -5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.583 -12.215 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.166 -12.947 -3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.493 -14.694 -3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.480 -14.791 -4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.392 -14.951 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.597 -13.211 -5.602 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.776 -13.012 -4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.277 -16.175 -3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.068 -16.694 -2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.235 -13.687 -2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.356 -15.294 -1.945 1.00 0.00 H new ATOM 1597 N SER A 105 -7.416 -10.251 -5.129 1.00 0.00 N ATOM 1598 CA SER A 105 -8.665 -9.507 -5.015 1.00 0.00 C ATOM 1599 C SER A 105 -8.314 -8.022 -5.044 1.00 0.00 C ATOM 1600 O SER A 105 -7.133 -7.676 -5.020 1.00 0.00 O ATOM 1601 CB SER A 105 -9.419 -9.858 -3.732 1.00 0.00 C ATOM 1602 OG SER A 105 -10.142 -11.069 -3.875 1.00 0.00 O ATOM 0 H SER A 105 -6.657 -9.691 -5.517 1.00 0.00 H new ATOM 0 HA SER A 105 -9.326 -9.767 -5.842 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.713 -9.948 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.105 -9.050 -3.478 1.00 0.00 H new ATOM 0 HG SER A 105 -9.563 -11.751 -4.275 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.302 -7.136 -5.115 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.990 -5.709 -5.167 1.00 0.00 C ATOM 1610 C ASP A 106 -9.263 -5.010 -3.837 1.00 0.00 C ATOM 1611 O ASP A 106 -10.402 -4.676 -3.514 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.797 -5.044 -6.282 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.929 -4.227 -7.219 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -7.725 -4.538 -7.337 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -9.453 -3.277 -7.838 1.00 0.00 O ATOM 0 H ASP A 106 -10.295 -7.368 -5.137 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.924 -5.612 -5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.321 -5.810 -6.853 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.557 -4.399 -5.841 1.00 0.00 H new ATOM 1620 N GLN A 107 -8.190 -4.766 -3.091 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.264 -4.070 -1.814 1.00 0.00 C ATOM 1622 C GLN A 107 -6.855 -3.720 -1.333 1.00 0.00 C ATOM 1623 O GLN A 107 -5.875 -4.273 -1.832 1.00 0.00 O ATOM 1624 CB GLN A 107 -9.001 -4.911 -0.775 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.384 -4.374 -0.420 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.214 -5.362 0.387 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -12.440 -5.298 0.393 1.00 0.00 O ATOM 1628 NE2 GLN A 107 -10.551 -6.279 1.082 1.00 0.00 N ATOM 0 H GLN A 107 -7.246 -5.046 -3.356 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.828 -3.147 -1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.102 -5.929 -1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.398 -4.963 0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.275 -3.450 0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.917 -4.123 -1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.532 -6.302 1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.061 -6.960 1.644 1.00 0.00 H new ATOM 1637 N MET A 108 -6.749 -2.833 -0.353 1.00 0.00 N ATOM 1638 CA MET A 108 -5.445 -2.463 0.192 1.00 0.00 C ATOM 1639 C MET A 108 -5.575 -1.720 1.512 1.00 0.00 C ATOM 1640 O MET A 108 -6.423 -0.844 1.667 1.00 0.00 O ATOM 1641 CB MET A 108 -4.645 -1.611 -0.792 1.00 0.00 C ATOM 1642 CG MET A 108 -3.215 -1.359 -0.329 1.00 0.00 C ATOM 1643 SD MET A 108 -2.046 -2.565 -0.981 1.00 0.00 S ATOM 1644 CE MET A 108 -2.698 -4.083 -0.288 1.00 0.00 C ATOM 0 H MET A 108 -7.541 -2.358 0.080 1.00 0.00 H new ATOM 0 HA MET A 108 -4.910 -3.396 0.367 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.626 -2.107 -1.762 1.00 0.00 H new ATOM 0 HB3 MET A 108 -5.150 -0.655 -0.932 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.909 -0.360 -0.638 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.182 -1.380 0.760 1.00 0.00 H new ATOM 0 HE1 MET A 108 -1.932 -4.858 -0.324 1.00 0.00 H new ATOM 0 HE2 MET A 108 -2.993 -3.913 0.747 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.566 -4.403 -0.865 1.00 0.00 H new ATOM 1654 N THR A 109 -4.705 -2.066 2.449 1.00 0.00 N ATOM 1655 CA THR A 109 -4.684 -1.428 3.756 1.00 0.00 C ATOM 1656 C THR A 109 -3.515 -0.453 3.824 1.00 0.00 C ATOM 1657 O THR A 109 -2.571 -0.557 3.040 1.00 0.00 O ATOM 1658 CB THR A 109 -4.553 -2.479 4.863 1.00 0.00 C ATOM 1659 OG1 THR A 109 -4.076 -3.705 4.338 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.855 -2.763 5.578 1.00 0.00 C ATOM 0 H THR A 109 -3.999 -2.792 2.326 1.00 0.00 H new ATOM 0 HA THR A 109 -5.619 -0.887 3.903 1.00 0.00 H new ATOM 0 HB THR A 109 -3.849 -2.055 5.579 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.183 -3.572 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.690 -3.516 6.349 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.224 -1.847 6.039 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.590 -3.131 4.863 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.579 0.502 4.749 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.515 1.492 4.888 1.00 0.00 C ATOM 1670 C LEU A 110 -1.143 0.822 4.881 1.00 0.00 C ATOM 1671 O LEU A 110 -0.283 1.165 4.067 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.699 2.305 6.169 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.620 3.519 6.040 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -4.253 3.855 7.383 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.847 4.713 5.497 1.00 0.00 C ATOM 0 H LEU A 110 -4.350 0.611 5.408 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.572 2.168 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.095 1.649 6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.721 2.645 6.509 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.418 3.276 5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.905 4.721 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.837 3.004 7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.471 4.081 8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.515 5.570 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.030 4.957 6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.442 4.468 4.515 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.942 -0.136 5.786 1.00 0.00 N ATOM 1688 CA GLN A 111 0.333 -0.851 5.867 1.00 0.00 C ATOM 1689 C GLN A 111 0.795 -1.296 4.481 1.00 0.00 C ATOM 1690 O GLN A 111 1.815 -0.826 3.978 1.00 0.00 O ATOM 1691 CB GLN A 111 0.219 -2.072 6.787 1.00 0.00 C ATOM 1692 CG GLN A 111 1.454 -2.969 6.770 1.00 0.00 C ATOM 1693 CD GLN A 111 2.614 -2.386 7.555 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.199 -1.310 7.040 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 2.982 -2.900 8.612 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.639 -0.434 6.469 1.00 0.00 H new ATOM 0 HA GLN A 111 1.070 -0.164 6.283 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.041 -1.732 7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.650 -2.659 6.491 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.195 -3.944 7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.765 -3.132 5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.504 -3.726 8.971 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.765 -2.499 9.128 1.00 0.00 H new ATOM 1704 N ASP A 112 0.034 -2.204 3.868 1.00 0.00 N ATOM 1705 CA ASP A 112 0.364 -2.714 2.537 1.00 0.00 C ATOM 1706 C ASP A 112 0.746 -1.578 1.601 1.00 0.00 C ATOM 1707 O ASP A 112 1.821 -1.586 0.991 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.817 -3.488 1.954 1.00 0.00 C ATOM 1709 CG ASP A 112 -1.094 -4.776 2.703 1.00 0.00 C ATOM 1710 OD1 ASP A 112 -0.177 -5.620 2.791 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -2.227 -4.942 3.202 1.00 0.00 O ATOM 0 H ASP A 112 -0.814 -2.601 4.272 1.00 0.00 H new ATOM 0 HA ASP A 112 1.217 -3.386 2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.707 -2.859 1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.616 -3.716 0.907 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.140 -0.595 1.500 1.00 0.00 N ATOM 1717 CA ALA A 113 0.095 0.557 0.649 1.00 0.00 C ATOM 1718 C ALA A 113 1.523 1.074 0.812 1.00 0.00 C ATOM 1719 O ALA A 113 2.323 1.025 -0.123 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.903 1.661 0.965 1.00 0.00 C ATOM 0 H ALA A 113 -1.029 -0.576 2.000 1.00 0.00 H new ATOM 0 HA ALA A 113 -0.040 0.246 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.714 2.518 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.916 1.295 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.795 1.962 2.007 1.00 0.00 H new ATOM 1726 N LYS A 114 1.839 1.564 2.009 1.00 0.00 N ATOM 1727 CA LYS A 114 3.171 2.090 2.285 1.00 0.00 C ATOM 1728 C LYS A 114 4.231 0.996 2.205 1.00 0.00 C ATOM 1729 O LYS A 114 5.405 1.288 2.004 1.00 0.00 O ATOM 1730 CB LYS A 114 3.212 2.796 3.651 1.00 0.00 C ATOM 1731 CG LYS A 114 3.827 1.980 4.787 1.00 0.00 C ATOM 1732 CD LYS A 114 2.775 1.542 5.785 1.00 0.00 C ATOM 1733 CE LYS A 114 2.075 2.723 6.406 1.00 0.00 C ATOM 1734 NZ LYS A 114 0.676 2.854 5.921 1.00 0.00 N ATOM 0 H LYS A 114 1.194 1.607 2.798 1.00 0.00 H new ATOM 0 HA LYS A 114 3.399 2.827 1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.774 3.724 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.195 3.070 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.329 1.104 4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.587 2.575 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.044 0.905 5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.241 0.942 6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.075 2.616 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.626 3.635 6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.393 3.854 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.612 2.498 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.043 2.301 6.534 1.00 0.00 H new ATOM 1748 N VAL A 115 3.826 -0.264 2.360 1.00 0.00 N ATOM 1749 CA VAL A 115 4.781 -1.363 2.286 1.00 0.00 C ATOM 1750 C VAL A 115 5.452 -1.372 0.918 1.00 0.00 C ATOM 1751 O VAL A 115 6.667 -1.142 0.778 1.00 0.00 O ATOM 1752 CB VAL A 115 4.102 -2.733 2.504 1.00 0.00 C ATOM 1753 CG1 VAL A 115 5.053 -3.865 2.159 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.599 -2.883 3.925 1.00 0.00 C ATOM 0 H VAL A 115 2.861 -0.544 2.534 1.00 0.00 H new ATOM 0 HA VAL A 115 5.514 -1.207 3.077 1.00 0.00 H new ATOM 0 HB VAL A 115 3.242 -2.783 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.554 -4.821 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.352 -3.783 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.936 -3.805 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.127 -3.858 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.436 -2.799 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.871 -2.100 4.138 1.00 0.00 H new ATOM 1764 N LEU A 116 4.640 -1.623 -0.096 1.00 0.00 N ATOM 1765 CA LEU A 116 5.128 -1.658 -1.455 1.00 0.00 C ATOM 1766 C LEU A 116 5.636 -0.292 -1.853 1.00 0.00 C ATOM 1767 O LEU A 116 6.611 -0.180 -2.578 1.00 0.00 O ATOM 1768 CB LEU A 116 4.026 -2.107 -2.402 1.00 0.00 C ATOM 1769 CG LEU A 116 3.259 -3.372 -1.995 1.00 0.00 C ATOM 1770 CD1 LEU A 116 4.110 -4.311 -1.147 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.973 -3.008 -1.265 1.00 0.00 C ATOM 0 H LEU A 116 3.641 -1.805 0.001 1.00 0.00 H new ATOM 0 HA LEU A 116 5.948 -2.373 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.311 -1.291 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.466 -2.274 -3.385 1.00 0.00 H new ATOM 0 HG LEU A 116 3.005 -3.905 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.526 -5.192 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.990 -4.616 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.423 -3.797 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.443 -3.919 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.213 -2.437 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.341 -2.407 -1.919 1.00 0.00 H new ATOM 1783 N LEU A 117 4.971 0.747 -1.368 1.00 0.00 N ATOM 1784 CA LEU A 117 5.378 2.113 -1.675 1.00 0.00 C ATOM 1785 C LEU A 117 6.671 2.460 -0.970 1.00 0.00 C ATOM 1786 O LEU A 117 7.386 3.374 -1.372 1.00 0.00 O ATOM 1787 CB LEU A 117 4.288 3.110 -1.287 1.00 0.00 C ATOM 1788 CG LEU A 117 3.362 3.510 -2.427 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.049 2.751 -2.348 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.114 5.009 -2.410 1.00 0.00 C ATOM 0 H LEU A 117 4.152 0.673 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 117 5.538 2.176 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.690 2.680 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.760 4.008 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 117 3.848 3.251 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.404 3.053 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.243 1.680 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.556 2.974 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.450 5.277 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.652 5.291 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.062 5.536 -2.522 1.00 0.00 H new ATOM 1802 N GLU A 118 6.994 1.701 0.053 1.00 0.00 N ATOM 1803 CA GLU A 118 8.227 1.913 0.766 1.00 0.00 C ATOM 1804 C GLU A 118 9.327 1.369 -0.106 1.00 0.00 C ATOM 1805 O GLU A 118 10.334 2.034 -0.368 1.00 0.00 O ATOM 1806 CB GLU A 118 8.214 1.206 2.122 1.00 0.00 C ATOM 1807 CG GLU A 118 9.526 1.322 2.880 1.00 0.00 C ATOM 1808 CD GLU A 118 9.689 2.670 3.556 1.00 0.00 C ATOM 1809 OE1 GLU A 118 9.018 2.904 4.583 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.488 3.491 3.057 1.00 0.00 O ATOM 0 H GLU A 118 6.421 0.935 0.407 1.00 0.00 H new ATOM 0 HA GLU A 118 8.373 2.973 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.413 1.623 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.983 0.152 1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.579 0.534 3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.355 1.162 2.191 1.00 0.00 H new ATOM 1817 N ALA A 119 9.093 0.160 -0.601 1.00 0.00 N ATOM 1818 CA ALA A 119 10.047 -0.473 -1.486 1.00 0.00 C ATOM 1819 C ALA A 119 9.949 0.095 -2.891 1.00 0.00 C ATOM 1820 O ALA A 119 10.872 -0.041 -3.694 1.00 0.00 O ATOM 1821 CB ALA A 119 9.864 -1.979 -1.496 1.00 0.00 C ATOM 0 H ALA A 119 8.258 -0.392 -0.404 1.00 0.00 H new ATOM 0 HA ALA A 119 11.046 -0.259 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.593 -2.430 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 119 10.009 -2.370 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.857 -2.221 -1.837 1.00 0.00 H new ATOM 1827 N ALA A 120 8.833 0.747 -3.179 1.00 0.00 N ATOM 1828 CA ALA A 120 8.629 1.347 -4.475 1.00 0.00 C ATOM 1829 C ALA A 120 9.309 2.698 -4.518 1.00 0.00 C ATOM 1830 O ALA A 120 10.117 2.968 -5.400 1.00 0.00 O ATOM 1831 CB ALA A 120 7.151 1.469 -4.797 1.00 0.00 C ATOM 0 H ALA A 120 8.058 0.871 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 120 9.072 0.703 -5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 120 7.029 1.925 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.696 0.479 -4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.665 2.092 -4.046 1.00 0.00 H new ATOM 1837 N LEU A 121 9.012 3.538 -3.536 1.00 0.00 N ATOM 1838 CA LEU A 121 9.643 4.841 -3.468 1.00 0.00 C ATOM 1839 C LEU A 121 11.146 4.650 -3.256 1.00 0.00 C ATOM 1840 O LEU A 121 11.956 5.473 -3.674 1.00 0.00 O ATOM 1841 CB LEU A 121 9.027 5.694 -2.349 1.00 0.00 C ATOM 1842 CG LEU A 121 9.880 5.899 -1.093 1.00 0.00 C ATOM 1843 CD1 LEU A 121 9.942 7.372 -0.716 1.00 0.00 C ATOM 1844 CD2 LEU A 121 9.308 5.083 0.040 1.00 0.00 C ATOM 0 H LEU A 121 8.348 3.342 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 121 9.476 5.375 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 121 8.787 6.674 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.085 5.234 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 121 10.898 5.565 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.553 7.493 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.383 7.939 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.935 7.740 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.914 5.228 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.285 5.403 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.311 4.028 -0.234 1.00 0.00 H new ATOM 1856 N ARG A 122 11.499 3.551 -2.580 1.00 0.00 N ATOM 1857 CA ARG A 122 12.891 3.230 -2.285 1.00 0.00 C ATOM 1858 C ARG A 122 13.665 2.784 -3.531 1.00 0.00 C ATOM 1859 O ARG A 122 14.723 3.332 -3.840 1.00 0.00 O ATOM 1860 CB ARG A 122 12.936 2.127 -1.212 1.00 0.00 C ATOM 1861 CG ARG A 122 14.135 1.188 -1.298 1.00 0.00 C ATOM 1862 CD ARG A 122 13.918 -0.068 -0.470 1.00 0.00 C ATOM 1863 NE ARG A 122 13.331 0.227 0.835 1.00 0.00 N ATOM 1864 CZ ARG A 122 13.983 0.838 1.822 1.00 0.00 C ATOM 1865 NH1 ARG A 122 15.248 1.208 1.663 1.00 0.00 N ATOM 1866 NH2 ARG A 122 13.370 1.076 2.973 1.00 0.00 N ATOM 0 H ARG A 122 10.830 2.867 -2.226 1.00 0.00 H new ATOM 0 HA ARG A 122 13.374 4.136 -1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 122 12.933 2.598 -0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 122 12.024 1.534 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 122 14.310 0.914 -2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 122 15.029 1.705 -0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 122 13.266 -0.752 -1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 122 14.871 -0.579 -0.331 1.00 0.00 H new ATOM 0 HE ARG A 122 12.364 -0.052 1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 122 15.726 1.025 0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.742 1.676 2.423 1.00 0.00 H new ATOM 0 HH21 ARG A 122 12.399 0.791 3.102 1.00 0.00 H new ATOM 0 HH22 ARG A 122 13.869 1.544 3.729 1.00 0.00 H new ATOM 1880 N GLN A 123 13.163 1.752 -4.207 1.00 0.00 N ATOM 1881 CA GLN A 123 13.849 1.197 -5.375 1.00 0.00 C ATOM 1882 C GLN A 123 13.396 1.798 -6.709 1.00 0.00 C ATOM 1883 O GLN A 123 14.177 1.842 -7.659 1.00 0.00 O ATOM 1884 CB GLN A 123 13.657 -0.321 -5.408 1.00 0.00 C ATOM 1885 CG GLN A 123 14.947 -1.101 -5.219 1.00 0.00 C ATOM 1886 CD GLN A 123 15.662 -0.745 -3.930 1.00 0.00 C ATOM 1887 OE1 GLN A 123 15.188 -1.056 -2.837 1.00 0.00 O ATOM 1888 NE2 GLN A 123 16.810 -0.088 -4.052 1.00 0.00 N ATOM 0 H GLN A 123 12.288 1.284 -3.969 1.00 0.00 H new ATOM 0 HA GLN A 123 14.901 1.458 -5.263 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.952 -0.607 -4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 123 13.209 -0.602 -6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.726 -2.168 -5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 123 15.610 -0.909 -6.063 1.00 0.00 H new ATOM 0 HE21 GLN A 123 17.166 0.149 -4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 123 17.336 0.179 -3.220 1.00 0.00 H new ATOM 1897 N GLU A 124 12.144 2.230 -6.802 1.00 0.00 N ATOM 1898 CA GLU A 124 11.640 2.782 -8.060 1.00 0.00 C ATOM 1899 C GLU A 124 12.155 4.191 -8.312 1.00 0.00 C ATOM 1900 O GLU A 124 12.897 4.429 -9.265 1.00 0.00 O ATOM 1901 CB GLU A 124 10.111 2.802 -8.075 1.00 0.00 C ATOM 1902 CG GLU A 124 9.477 1.500 -7.609 1.00 0.00 C ATOM 1903 CD GLU A 124 9.270 0.518 -8.745 1.00 0.00 C ATOM 1904 OE1 GLU A 124 8.485 0.832 -9.665 1.00 0.00 O ATOM 1905 OE2 GLU A 124 9.893 -0.564 -8.717 1.00 0.00 O ATOM 0 H GLU A 124 11.468 2.211 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 124 12.007 2.131 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.761 3.614 -7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.769 3.020 -9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.110 1.043 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.517 1.714 -7.139 1.00 0.00 H new ATOM 1912 N SER A 125 11.740 5.126 -7.470 1.00 0.00 N ATOM 1913 CA SER A 125 12.144 6.515 -7.624 1.00 0.00 C ATOM 1914 C SER A 125 13.346 6.859 -6.753 1.00 0.00 C ATOM 1915 O SER A 125 14.304 7.480 -7.212 1.00 0.00 O ATOM 1916 CB SER A 125 10.971 7.434 -7.284 1.00 0.00 C ATOM 1917 OG SER A 125 10.520 8.130 -8.432 1.00 0.00 O ATOM 0 H SER A 125 11.126 4.949 -6.675 1.00 0.00 H new ATOM 0 HA SER A 125 12.440 6.662 -8.663 1.00 0.00 H new ATOM 0 HB2 SER A 125 10.153 6.846 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.274 8.148 -6.518 1.00 0.00 H new ATOM 0 HG SER A 125 9.768 8.710 -8.189 1.00 0.00 H new