USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=33 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 78 GLN :FLIP amide:sc= -1! F(o=-6.3,f=-5.3!) USER MOD Set 1.2: A 111 GLN : amide:sc= -4.25! C(o=-5.3!,f=-13!) USER MOD Set 2.1: A 79 SER OG : rot -128:sc= -0.0279 USER MOD Set 2.2: A 109 THR OG1 : rot -91:sc= 0.705 USER MOD Set 3.1: A 69 THR OG1 : rot 110:sc= 1.1 USER MOD Set 3.2: A 70 GLN : amide:sc= 0.084 K(o=1.2,f=-9.1!) USER MOD Set 4.1: A 38 THR OG1 : rot 178:sc= 0.458 USER MOD Set 4.2: A 40 GLN : amide:sc= -1.41! K(o=-0.96!,f=-4.5) USER MOD Set 5.1: A 11 GLN : amide:sc= -1.92! C(o=-1.9!,f=-5.3!) USER MOD Set 5.2: A 30 ASN :FLIP amide:sc=-0.00523 F(o=-4.5!,f=-1.9) USER MOD Set 6.1: A 24 THR OG1 : rot 148:sc= 0.0876 USER MOD Set 6.2: A 34 ASN :FLIP amide:sc= -0.256 F(o=-3.9!,f=-0.17) USER MOD Single : A 2 ASN : amide:sc= -8.21! C(o=-8.2!,f=-12!) USER MOD Single : A 4 SER OG : rot -83:sc= 0.249 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -56.5! C(o=-57!,f=-58!) USER MOD Single : A 13 SER OG : rot -63:sc= -0.337 USER MOD Single : A 17 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.032) USER MOD Single : A 18 GLN : amide:sc=-0.00357 X(o=-0.0036,f=0) USER MOD Single : A 20 SER OG : rot -30:sc= -4.38! USER MOD Single : A 23 CYS SG : rot -68:sc= -0.683 USER MOD Single : A 26 LYS NZ :NH3+ 167:sc=-0.00843 (180deg=-0.434) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00701 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -120:sc= -0.362 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.0072) USER MOD Single : A 58 THR OG1 : rot 56:sc= -2.4! USER MOD Single : A 61 SER OG : rot 83:sc= 1.32 USER MOD Single : A 62 HIS : no HD1:sc= 0.147 K(o=0.15,f=-0.94) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 73 THR OG1 : rot 74:sc= 0.167 USER MOD Single : A 75 LYS NZ :NH3+ -132:sc= 1.03 (180deg=-0.622) USER MOD Single : A 80 THR OG1 : rot 61:sc= 1.19 USER MOD Single : A 87 ASN : amide:sc= -0.63 K(o=-0.63,f=-1.5) USER MOD Single : A 88 TYR OH : rot 74:sc= 1.14 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -1.36! F(o=-2.2,f=-1.4!) USER MOD Single : A 98 SER OG : rot 70:sc= 0.0981 USER MOD Single : A 102 SER OG : rot 134:sc= -1.8! USER MOD Single : A 105 SER OG : rot 85:sc= 1.16 USER MOD Single : A 107 GLN :FLIP amide:sc= -19! C(o=-21!,f=-19!) USER MOD Single : A 108 MET CE :methyl -164:sc= -9.43! (180deg=-11.8!) USER MOD Single : A 114 LYS NZ :NH3+ -167:sc= -0.275 (180deg=-0.669) USER MOD Single : A 123 GLN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 125 SER OG : rot -160:sc= 0.00202 USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -3.760 8.888 -10.207 1.00 0.00 N ATOM 21 CA ASN A 2 -3.324 9.026 -8.823 1.00 0.00 C ATOM 22 C ASN A 2 -1.966 9.723 -8.752 1.00 0.00 C ATOM 23 O ASN A 2 -1.292 9.898 -9.767 1.00 0.00 O ATOM 24 CB ASN A 2 -3.265 7.649 -8.152 1.00 0.00 C ATOM 25 CG ASN A 2 -2.730 7.695 -6.739 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.132 8.537 -5.935 1.00 0.00 O ATOM 27 ND2 ASN A 2 -1.818 6.785 -6.428 1.00 0.00 N ATOM 0 HA ASN A 2 -4.046 9.643 -8.288 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.265 7.215 -8.141 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.637 6.988 -8.749 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.419 6.763 -5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.515 6.107 -7.127 1.00 0.00 H new ATOM 34 N LEU A 3 -1.580 10.125 -7.548 1.00 0.00 N ATOM 35 CA LEU A 3 -0.310 10.815 -7.333 1.00 0.00 C ATOM 36 C LEU A 3 0.876 9.896 -7.610 1.00 0.00 C ATOM 37 O LEU A 3 0.711 8.693 -7.815 1.00 0.00 O ATOM 38 CB LEU A 3 -0.218 11.338 -5.896 1.00 0.00 C ATOM 39 CG LEU A 3 -1.541 11.794 -5.270 1.00 0.00 C ATOM 40 CD1 LEU A 3 -1.933 10.871 -4.124 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.433 13.233 -4.783 1.00 0.00 C ATOM 0 H LEU A 3 -2.130 9.985 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.274 11.653 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.208 10.554 -5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.480 12.175 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.318 11.747 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.874 11.209 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.050 9.854 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.155 10.888 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.381 13.540 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.644 13.306 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.196 13.885 -5.624 1.00 0.00 H new ATOM 53 N SER A 4 2.076 10.473 -7.598 1.00 0.00 N ATOM 54 CA SER A 4 3.297 9.711 -7.829 1.00 0.00 C ATOM 55 C SER A 4 3.622 8.864 -6.598 1.00 0.00 C ATOM 56 O SER A 4 2.717 8.470 -5.864 1.00 0.00 O ATOM 57 CB SER A 4 4.456 10.657 -8.157 1.00 0.00 C ATOM 58 OG SER A 4 4.908 11.332 -6.997 1.00 0.00 O ATOM 0 H SER A 4 2.227 11.468 -7.430 1.00 0.00 H new ATOM 0 HA SER A 4 3.148 9.045 -8.679 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.278 10.091 -8.596 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.136 11.384 -8.903 1.00 0.00 H new ATOM 0 HG SER A 4 4.342 12.115 -6.833 1.00 0.00 H new ATOM 64 N LEU A 5 4.903 8.580 -6.365 1.00 0.00 N ATOM 65 CA LEU A 5 5.285 7.778 -5.208 1.00 0.00 C ATOM 66 C LEU A 5 5.672 8.638 -4.037 1.00 0.00 C ATOM 67 O LEU A 5 5.011 8.649 -3.002 1.00 0.00 O ATOM 68 CB LEU A 5 6.463 6.880 -5.537 1.00 0.00 C ATOM 69 CG LEU A 5 6.179 5.877 -6.619 1.00 0.00 C ATOM 70 CD1 LEU A 5 7.130 6.031 -7.785 1.00 0.00 C ATOM 71 CD2 LEU A 5 6.228 4.453 -6.097 1.00 0.00 C ATOM 0 H LEU A 5 5.679 8.887 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 5 4.413 7.179 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.306 7.500 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.767 6.350 -4.634 1.00 0.00 H new ATOM 0 HG LEU A 5 5.166 6.078 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.894 5.289 -8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.028 7.031 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.154 5.885 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.017 3.760 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.219 4.248 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.483 4.328 -5.311 1.00 0.00 H new ATOM 83 N SER A 6 6.766 9.345 -4.200 1.00 0.00 N ATOM 84 CA SER A 6 7.279 10.187 -3.158 1.00 0.00 C ATOM 85 C SER A 6 6.168 10.859 -2.328 1.00 0.00 C ATOM 86 O SER A 6 6.214 10.856 -1.095 1.00 0.00 O ATOM 87 CB SER A 6 8.200 11.207 -3.805 1.00 0.00 C ATOM 88 OG SER A 6 7.880 12.534 -3.421 1.00 0.00 O ATOM 0 H SER A 6 7.319 9.349 -5.057 1.00 0.00 H new ATOM 0 HA SER A 6 7.831 9.579 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.232 10.989 -3.529 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.134 11.118 -4.889 1.00 0.00 H new ATOM 0 HG SER A 6 8.496 13.158 -3.857 1.00 0.00 H new ATOM 94 N ASP A 7 5.173 11.425 -3.005 1.00 0.00 N ATOM 95 CA ASP A 7 4.070 12.099 -2.325 1.00 0.00 C ATOM 96 C ASP A 7 3.037 11.115 -1.776 1.00 0.00 C ATOM 97 O ASP A 7 2.548 11.277 -0.658 1.00 0.00 O ATOM 98 CB ASP A 7 3.384 13.083 -3.275 1.00 0.00 C ATOM 99 CG ASP A 7 3.359 12.609 -4.717 1.00 0.00 C ATOM 100 OD1 ASP A 7 2.926 11.463 -4.958 1.00 0.00 O ATOM 101 OD2 ASP A 7 3.775 13.385 -5.604 1.00 0.00 O ATOM 0 H ASP A 7 5.107 11.431 -4.023 1.00 0.00 H new ATOM 0 HA ASP A 7 4.499 12.636 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.361 13.250 -2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.897 14.043 -3.225 1.00 0.00 H new ATOM 106 N LEU A 8 2.706 10.104 -2.567 1.00 0.00 N ATOM 107 CA LEU A 8 1.728 9.098 -2.164 1.00 0.00 C ATOM 108 C LEU A 8 2.224 8.312 -0.969 1.00 0.00 C ATOM 109 O LEU A 8 1.451 7.908 -0.096 1.00 0.00 O ATOM 110 CB LEU A 8 1.464 8.145 -3.322 1.00 0.00 C ATOM 111 CG LEU A 8 0.287 7.205 -3.118 1.00 0.00 C ATOM 112 CD1 LEU A 8 -1.017 7.903 -3.471 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.490 5.953 -3.949 1.00 0.00 C ATOM 0 H LEU A 8 3.101 9.957 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 8 0.805 9.608 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.291 8.731 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.360 7.550 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 8 0.229 6.916 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.850 7.216 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.146 8.777 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.991 8.217 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.354 5.279 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.561 6.223 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.409 5.456 -3.640 1.00 0.00 H new ATOM 125 N HIS A 9 3.520 8.092 -0.955 1.00 0.00 N ATOM 126 CA HIS A 9 4.160 7.341 0.095 1.00 0.00 C ATOM 127 C HIS A 9 4.365 8.199 1.323 1.00 0.00 C ATOM 128 O HIS A 9 4.101 7.763 2.443 1.00 0.00 O ATOM 129 CB HIS A 9 5.476 6.796 -0.423 1.00 0.00 C ATOM 130 CG HIS A 9 5.330 6.071 -1.724 1.00 0.00 C ATOM 131 ND1 HIS A 9 6.109 5.007 -2.077 1.00 0.00 N ATOM 132 CD2 HIS A 9 4.476 6.257 -2.756 1.00 0.00 C ATOM 133 CE1 HIS A 9 5.749 4.572 -3.262 1.00 0.00 C ATOM 134 NE2 HIS A 9 4.758 5.312 -3.698 1.00 0.00 N ATOM 0 H HIS A 9 4.159 8.431 -1.674 1.00 0.00 H new ATOM 0 HA HIS A 9 3.521 6.509 0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.181 7.618 -0.547 1.00 0.00 H new ATOM 0 HB3 HIS A 9 5.902 6.120 0.319 1.00 0.00 H new ATOM 0 HD2 HIS A 9 3.710 7.016 -2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.195 3.742 -3.790 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.279 5.200 -4.591 1.00 0.00 H new ATOM 143 N ARG A 10 4.804 9.432 1.116 1.00 0.00 N ATOM 144 CA ARG A 10 4.994 10.334 2.239 1.00 0.00 C ATOM 145 C ARG A 10 3.656 10.525 2.947 1.00 0.00 C ATOM 146 O ARG A 10 3.586 10.584 4.175 1.00 0.00 O ATOM 147 CB ARG A 10 5.561 11.677 1.774 1.00 0.00 C ATOM 148 CG ARG A 10 7.057 11.642 1.494 1.00 0.00 C ATOM 149 CD ARG A 10 7.858 11.319 2.746 1.00 0.00 C ATOM 150 NE ARG A 10 8.960 10.400 2.467 1.00 0.00 N ATOM 151 CZ ARG A 10 10.164 10.785 2.050 1.00 0.00 C ATOM 152 NH1 ARG A 10 10.430 12.071 1.857 1.00 0.00 N ATOM 153 NH2 ARG A 10 11.106 9.879 1.823 1.00 0.00 N ATOM 0 H ARG A 10 5.031 9.823 0.202 1.00 0.00 H new ATOM 0 HA ARG A 10 5.715 9.902 2.933 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.038 11.990 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.360 12.430 2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.266 10.897 0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.375 12.606 1.097 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.253 12.241 3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.199 10.879 3.495 1.00 0.00 H new ATOM 0 HE ARG A 10 8.796 9.402 2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.709 12.772 2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.355 12.358 1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.907 8.889 1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.029 10.172 1.503 1.00 0.00 H new ATOM 167 N GLN A 11 2.591 10.584 2.149 1.00 0.00 N ATOM 168 CA GLN A 11 1.237 10.735 2.671 1.00 0.00 C ATOM 169 C GLN A 11 0.835 9.501 3.478 1.00 0.00 C ATOM 170 O GLN A 11 0.646 9.577 4.697 1.00 0.00 O ATOM 171 CB GLN A 11 0.256 10.941 1.507 1.00 0.00 C ATOM 172 CG GLN A 11 -1.154 11.348 1.927 1.00 0.00 C ATOM 173 CD GLN A 11 -1.877 12.157 0.867 1.00 0.00 C ATOM 174 OE1 GLN A 11 -2.701 13.014 1.183 1.00 0.00 O ATOM 175 NE2 GLN A 11 -1.582 11.882 -0.400 1.00 0.00 N ATOM 0 H GLN A 11 2.643 10.529 1.132 1.00 0.00 H new ATOM 0 HA GLN A 11 1.207 11.604 3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.658 11.706 0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.197 10.017 0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.733 10.452 2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.099 11.931 2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.892 11.163 -0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.046 12.390 -1.153 1.00 0.00 H new ATOM 184 N VAL A 12 0.716 8.363 2.790 1.00 0.00 N ATOM 185 CA VAL A 12 0.334 7.110 3.439 1.00 0.00 C ATOM 186 C VAL A 12 1.261 6.777 4.599 1.00 0.00 C ATOM 187 O VAL A 12 0.807 6.440 5.692 1.00 0.00 O ATOM 188 CB VAL A 12 0.333 5.928 2.443 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.688 5.792 1.772 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.054 4.631 3.141 1.00 0.00 C ATOM 0 H VAL A 12 0.879 8.285 1.786 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.677 7.257 3.818 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.411 6.134 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.666 4.954 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.919 6.709 1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.452 5.615 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.048 3.814 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.660 4.419 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.052 4.731 3.567 1.00 0.00 H new ATOM 200 N SER A 13 2.560 6.865 4.354 1.00 0.00 N ATOM 201 CA SER A 13 3.547 6.561 5.377 1.00 0.00 C ATOM 202 C SER A 13 3.313 7.385 6.637 1.00 0.00 C ATOM 203 O SER A 13 3.103 6.835 7.717 1.00 0.00 O ATOM 204 CB SER A 13 4.959 6.812 4.846 1.00 0.00 C ATOM 205 OG SER A 13 5.191 8.195 4.646 1.00 0.00 O ATOM 0 H SER A 13 2.954 7.144 3.456 1.00 0.00 H new ATOM 0 HA SER A 13 3.442 5.507 5.635 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.691 6.415 5.549 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.098 6.277 3.906 1.00 0.00 H new ATOM 0 HG SER A 13 4.576 8.534 3.963 1.00 0.00 H new ATOM 211 N ARG A 14 3.365 8.706 6.504 1.00 0.00 N ATOM 212 CA ARG A 14 3.183 9.583 7.653 1.00 0.00 C ATOM 213 C ARG A 14 1.886 9.300 8.411 1.00 0.00 C ATOM 214 O ARG A 14 1.905 9.194 9.638 1.00 0.00 O ATOM 215 CB ARG A 14 3.237 11.054 7.230 1.00 0.00 C ATOM 216 CG ARG A 14 4.275 11.868 7.990 1.00 0.00 C ATOM 217 CD ARG A 14 5.641 11.195 7.977 1.00 0.00 C ATOM 218 NE ARG A 14 6.693 12.097 7.515 1.00 0.00 N ATOM 219 CZ ARG A 14 6.867 12.442 6.242 1.00 0.00 C ATOM 220 NH1 ARG A 14 6.062 11.960 5.303 1.00 0.00 N ATOM 221 NH2 ARG A 14 7.847 13.269 5.907 1.00 0.00 N ATOM 0 H ARG A 14 3.530 9.189 5.621 1.00 0.00 H new ATOM 0 HA ARG A 14 4.008 9.375 8.335 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.454 11.109 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.255 11.503 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.354 12.861 7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.947 12.005 9.020 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.881 10.843 8.980 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.606 10.318 7.331 1.00 0.00 H new ATOM 0 HE ARG A 14 7.332 12.485 8.209 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.307 11.323 5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.199 12.227 4.328 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.468 13.641 6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.980 13.533 4.931 1.00 0.00 H new ATOM 235 N LEU A 15 0.757 9.188 7.708 1.00 0.00 N ATOM 236 CA LEU A 15 -0.507 8.933 8.404 1.00 0.00 C ATOM 237 C LEU A 15 -0.453 7.624 9.173 1.00 0.00 C ATOM 238 O LEU A 15 -0.671 7.590 10.382 1.00 0.00 O ATOM 239 CB LEU A 15 -1.725 8.913 7.471 1.00 0.00 C ATOM 240 CG LEU A 15 -1.480 8.377 6.073 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.144 7.025 5.892 1.00 0.00 C ATOM 242 CD2 LEU A 15 -1.974 9.364 5.026 1.00 0.00 C ATOM 0 H LEU A 15 0.689 9.266 6.693 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.632 9.769 9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.506 8.313 7.938 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.111 9.929 7.387 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.406 8.248 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.956 6.659 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.736 6.319 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.218 7.124 6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.789 8.961 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.043 9.529 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.444 10.310 5.139 1.00 0.00 H new ATOM 254 N VAL A 16 -0.183 6.546 8.455 1.00 0.00 N ATOM 255 CA VAL A 16 -0.128 5.221 9.050 1.00 0.00 C ATOM 256 C VAL A 16 1.069 5.033 9.979 1.00 0.00 C ATOM 257 O VAL A 16 1.134 4.052 10.718 1.00 0.00 O ATOM 258 CB VAL A 16 -0.123 4.138 7.958 1.00 0.00 C ATOM 259 CG1 VAL A 16 1.200 4.111 7.217 1.00 0.00 C ATOM 260 CG2 VAL A 16 -0.437 2.779 8.551 1.00 0.00 C ATOM 0 H VAL A 16 0.003 6.564 7.452 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.025 5.120 9.661 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.902 4.385 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.173 3.335 6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.373 5.079 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.006 3.899 7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.429 2.027 7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.313 2.527 9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.422 2.804 9.018 1.00 0.00 H new ATOM 270 N GLN A 17 2.012 5.964 9.949 1.00 0.00 N ATOM 271 CA GLN A 17 3.187 5.862 10.805 1.00 0.00 C ATOM 272 C GLN A 17 3.026 6.655 12.101 1.00 0.00 C ATOM 273 O GLN A 17 3.898 6.612 12.968 1.00 0.00 O ATOM 274 CB GLN A 17 4.437 6.315 10.052 1.00 0.00 C ATOM 275 CG GLN A 17 4.884 5.315 8.999 1.00 0.00 C ATOM 276 CD GLN A 17 6.161 4.591 9.382 1.00 0.00 C ATOM 277 OE1 GLN A 17 7.210 5.210 9.557 1.00 0.00 O ATOM 278 NE2 GLN A 17 6.077 3.272 9.515 1.00 0.00 N ATOM 0 H GLN A 17 1.989 6.789 9.350 1.00 0.00 H new ATOM 0 HA GLN A 17 3.298 4.813 11.080 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.240 7.275 9.575 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.247 6.473 10.764 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.091 4.584 8.839 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.036 5.834 8.053 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.186 2.800 9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.903 2.732 9.772 1.00 0.00 H new ATOM 287 N GLN A 18 1.918 7.383 12.237 1.00 0.00 N ATOM 288 CA GLN A 18 1.684 8.176 13.440 1.00 0.00 C ATOM 289 C GLN A 18 0.196 8.293 13.769 1.00 0.00 C ATOM 290 O GLN A 18 -0.208 8.116 14.918 1.00 0.00 O ATOM 291 CB GLN A 18 2.284 9.574 13.276 1.00 0.00 C ATOM 292 CG GLN A 18 3.639 9.581 12.586 1.00 0.00 C ATOM 293 CD GLN A 18 4.316 10.936 12.651 1.00 0.00 C ATOM 294 OE1 GLN A 18 5.453 11.052 13.108 1.00 0.00 O ATOM 295 NE2 GLN A 18 3.617 11.969 12.195 1.00 0.00 N ATOM 0 H GLN A 18 1.178 7.439 11.538 1.00 0.00 H new ATOM 0 HA GLN A 18 2.171 7.660 14.267 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.592 10.192 12.704 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.384 10.034 14.259 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.283 8.834 13.050 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.514 9.291 11.543 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.677 11.825 11.825 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.020 12.906 12.215 1.00 0.00 H new ATOM 304 N GLU A 19 -0.611 8.612 12.763 1.00 0.00 N ATOM 305 CA GLU A 19 -2.050 8.776 12.961 1.00 0.00 C ATOM 306 C GLU A 19 -2.806 7.459 12.813 1.00 0.00 C ATOM 307 O GLU A 19 -3.470 7.004 13.744 1.00 0.00 O ATOM 308 CB GLU A 19 -2.606 9.798 11.965 1.00 0.00 C ATOM 309 CG GLU A 19 -3.539 10.817 12.600 1.00 0.00 C ATOM 310 CD GLU A 19 -5.001 10.480 12.386 1.00 0.00 C ATOM 311 OE1 GLU A 19 -5.534 10.806 11.304 1.00 0.00 O ATOM 312 OE2 GLU A 19 -5.614 9.889 13.299 1.00 0.00 O ATOM 0 H GLU A 19 -0.296 8.762 11.804 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.195 9.132 13.981 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.775 10.322 11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.140 9.270 11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.336 10.874 13.669 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.332 11.803 12.183 1.00 0.00 H new ATOM 319 N SER A 20 -2.722 6.870 11.629 1.00 0.00 N ATOM 320 CA SER A 20 -3.420 5.624 11.336 1.00 0.00 C ATOM 321 C SER A 20 -2.768 4.422 12.012 1.00 0.00 C ATOM 322 O SER A 20 -3.453 3.592 12.607 1.00 0.00 O ATOM 323 CB SER A 20 -3.466 5.404 9.823 1.00 0.00 C ATOM 324 OG SER A 20 -3.820 6.595 9.146 1.00 0.00 O ATOM 0 H SER A 20 -2.174 7.237 10.851 1.00 0.00 H new ATOM 0 HA SER A 20 -4.431 5.713 11.734 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.493 5.058 9.473 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.186 4.620 9.588 1.00 0.00 H new ATOM 0 HG SER A 20 -4.401 7.137 9.720 1.00 0.00 H new ATOM 330 N GLY A 21 -1.449 4.316 11.899 1.00 0.00 N ATOM 331 CA GLY A 21 -0.747 3.189 12.486 1.00 0.00 C ATOM 332 C GLY A 21 -0.740 1.985 11.560 1.00 0.00 C ATOM 333 O GLY A 21 0.266 1.285 11.442 1.00 0.00 O ATOM 0 H GLY A 21 -0.854 4.988 11.413 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.279 3.478 12.714 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.219 2.919 13.430 1.00 0.00 H new ATOM 337 N ASP A 22 -1.870 1.755 10.894 1.00 0.00 N ATOM 338 CA ASP A 22 -2.017 0.645 9.960 1.00 0.00 C ATOM 339 C ASP A 22 -3.331 0.783 9.188 1.00 0.00 C ATOM 340 O ASP A 22 -3.326 1.020 7.984 1.00 0.00 O ATOM 341 CB ASP A 22 -1.984 -0.689 10.710 1.00 0.00 C ATOM 342 CG ASP A 22 -1.669 -1.858 9.798 1.00 0.00 C ATOM 343 OD1 ASP A 22 -2.455 -2.110 8.861 1.00 0.00 O ATOM 344 OD2 ASP A 22 -0.635 -2.523 10.022 1.00 0.00 O ATOM 0 H ASP A 22 -2.706 2.332 10.987 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.187 0.668 9.254 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.237 -0.639 11.502 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.948 -0.856 11.191 1.00 0.00 H new ATOM 349 N CYS A 23 -4.450 0.655 9.912 1.00 0.00 N ATOM 350 CA CYS A 23 -5.805 0.779 9.348 1.00 0.00 C ATOM 351 C CYS A 23 -5.864 0.379 7.871 1.00 0.00 C ATOM 352 O CYS A 23 -4.991 -0.330 7.374 1.00 0.00 O ATOM 353 CB CYS A 23 -6.298 2.218 9.535 1.00 0.00 C ATOM 354 SG CYS A 23 -7.726 2.369 10.633 1.00 0.00 S ATOM 0 H CYS A 23 -4.443 0.461 10.913 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.457 0.088 9.883 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.482 2.822 9.932 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.557 2.632 8.560 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.768 1.838 10.065 1.00 0.00 H new ATOM 360 N THR A 24 -6.894 0.844 7.169 1.00 0.00 N ATOM 361 CA THR A 24 -7.034 0.542 5.754 1.00 0.00 C ATOM 362 C THR A 24 -6.645 1.766 4.945 1.00 0.00 C ATOM 363 O THR A 24 -6.684 2.889 5.450 1.00 0.00 O ATOM 364 CB THR A 24 -8.461 0.103 5.415 1.00 0.00 C ATOM 365 OG1 THR A 24 -9.236 -0.048 6.592 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.518 -1.208 4.654 1.00 0.00 C ATOM 0 H THR A 24 -7.637 1.426 7.556 1.00 0.00 H new ATOM 0 HA THR A 24 -6.373 -0.288 5.504 1.00 0.00 H new ATOM 0 HB THR A 24 -8.862 0.893 4.780 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.169 0.185 6.402 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.557 -1.462 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.973 -1.108 3.715 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.065 -1.997 5.254 1.00 0.00 H new ATOM 374 N GLY A 25 -6.245 1.551 3.703 1.00 0.00 N ATOM 375 CA GLY A 25 -5.827 2.656 2.874 1.00 0.00 C ATOM 376 C GLY A 25 -6.850 3.040 1.838 1.00 0.00 C ATOM 377 O GLY A 25 -7.200 2.243 0.968 1.00 0.00 O ATOM 0 H GLY A 25 -6.203 0.635 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.619 3.519 3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.894 2.395 2.375 1.00 0.00 H new ATOM 381 N LYS A 26 -7.311 4.278 1.917 1.00 0.00 N ATOM 382 CA LYS A 26 -8.279 4.787 0.964 1.00 0.00 C ATOM 383 C LYS A 26 -7.567 5.720 -0.010 1.00 0.00 C ATOM 384 O LYS A 26 -7.020 6.752 0.393 1.00 0.00 O ATOM 385 CB LYS A 26 -9.429 5.499 1.694 1.00 0.00 C ATOM 386 CG LYS A 26 -9.107 6.912 2.127 1.00 0.00 C ATOM 387 CD LYS A 26 -9.392 7.912 1.016 1.00 0.00 C ATOM 388 CE LYS A 26 -10.661 8.703 1.289 1.00 0.00 C ATOM 389 NZ LYS A 26 -10.476 9.685 2.392 1.00 0.00 N ATOM 0 H LYS A 26 -7.029 4.948 2.633 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.718 3.963 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.301 5.521 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.704 4.915 2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.696 7.167 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.058 6.976 2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.550 8.597 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.488 7.385 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.964 9.228 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.468 8.017 1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.276 10.349 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.431 9.182 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.592 10.212 2.243 1.00 0.00 H new ATOM 403 N LEU A 27 -7.535 5.327 -1.283 1.00 0.00 N ATOM 404 CA LEU A 27 -6.847 6.109 -2.304 1.00 0.00 C ATOM 405 C LEU A 27 -7.809 6.769 -3.283 1.00 0.00 C ATOM 406 O LEU A 27 -8.906 6.276 -3.539 1.00 0.00 O ATOM 407 CB LEU A 27 -5.864 5.228 -3.073 1.00 0.00 C ATOM 408 CG LEU A 27 -4.781 5.990 -3.840 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.434 5.296 -3.697 1.00 0.00 C ATOM 410 CD2 LEU A 27 -5.164 6.124 -5.307 1.00 0.00 C ATOM 0 H LEU A 27 -7.976 4.475 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.310 6.902 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.381 4.548 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.424 4.613 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.695 6.990 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.677 5.853 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.157 5.254 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.502 4.284 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.383 6.668 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.278 5.133 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.105 6.667 -5.389 1.00 0.00 H new ATOM 422 N ARG A 28 -7.360 7.897 -3.826 1.00 0.00 N ATOM 423 CA ARG A 28 -8.119 8.685 -4.793 1.00 0.00 C ATOM 424 C ARG A 28 -7.549 10.098 -4.834 1.00 0.00 C ATOM 425 O ARG A 28 -8.268 11.082 -4.659 1.00 0.00 O ATOM 426 CB ARG A 28 -9.617 8.719 -4.452 1.00 0.00 C ATOM 427 CG ARG A 28 -9.918 8.895 -2.970 1.00 0.00 C ATOM 428 CD ARG A 28 -11.289 8.340 -2.603 1.00 0.00 C ATOM 429 NE ARG A 28 -11.553 7.030 -3.207 1.00 0.00 N ATOM 430 CZ ARG A 28 -12.774 6.526 -3.369 1.00 0.00 C ATOM 431 NH1 ARG A 28 -13.841 7.209 -2.972 1.00 0.00 N ATOM 432 NH2 ARG A 28 -12.930 5.333 -3.926 1.00 0.00 N ATOM 0 H ARG A 28 -6.447 8.295 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.026 8.217 -5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.085 9.533 -5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.077 7.793 -4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.152 8.391 -2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.873 9.953 -2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.364 8.257 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.058 9.044 -2.922 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.757 6.475 -3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.728 8.126 -2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.774 6.817 -3.099 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.114 4.802 -4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.866 4.947 -4.050 1.00 0.00 H new ATOM 446 N GLY A 29 -6.234 10.178 -5.033 1.00 0.00 N ATOM 447 CA GLY A 29 -5.552 11.458 -5.057 1.00 0.00 C ATOM 448 C GLY A 29 -4.852 11.730 -3.738 1.00 0.00 C ATOM 449 O GLY A 29 -4.116 12.707 -3.599 1.00 0.00 O ATOM 0 H GLY A 29 -5.627 9.371 -5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.824 11.470 -5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.270 12.252 -5.262 1.00 0.00 H new ATOM 453 N ASN A 30 -5.095 10.849 -2.769 1.00 0.00 N ATOM 454 CA ASN A 30 -4.511 10.947 -1.444 1.00 0.00 C ATOM 455 C ASN A 30 -4.719 9.626 -0.711 1.00 0.00 C ATOM 456 O ASN A 30 -5.537 8.807 -1.128 1.00 0.00 O ATOM 457 CB ASN A 30 -5.142 12.115 -0.667 1.00 0.00 C ATOM 458 CG ASN A 30 -5.755 11.700 0.662 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.798 10.877 0.603 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -5.295 12.113 1.727 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.708 10.043 -2.888 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.442 11.143 -1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.381 12.874 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.912 12.578 -1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.493 12.743 1.726 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.716 11.825 2.610 1.00 0.00 H new ATOM 467 N VAL A 31 -4.007 9.425 0.386 1.00 0.00 N ATOM 468 CA VAL A 31 -4.165 8.202 1.162 1.00 0.00 C ATOM 469 C VAL A 31 -4.691 8.521 2.557 1.00 0.00 C ATOM 470 O VAL A 31 -4.092 9.294 3.303 1.00 0.00 O ATOM 471 CB VAL A 31 -2.857 7.372 1.251 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.621 8.256 1.175 1.00 0.00 C ATOM 473 CG2 VAL A 31 -2.837 6.523 2.517 1.00 0.00 C ATOM 0 H VAL A 31 -3.322 10.083 0.757 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.893 7.586 0.634 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.836 6.705 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.726 7.637 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.619 8.798 0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.631 8.968 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.910 5.950 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.901 7.171 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.686 5.839 2.510 1.00 0.00 H new ATOM 483 N ALA A 32 -5.826 7.921 2.885 1.00 0.00 N ATOM 484 CA ALA A 32 -6.472 8.128 4.178 1.00 0.00 C ATOM 485 C ALA A 32 -6.605 6.814 4.939 1.00 0.00 C ATOM 486 O ALA A 32 -6.400 5.737 4.375 1.00 0.00 O ATOM 487 CB ALA A 32 -7.831 8.788 4.000 1.00 0.00 C ATOM 0 H ALA A 32 -6.325 7.280 2.268 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.842 8.795 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.295 8.933 4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.705 9.754 3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.468 8.150 3.386 1.00 0.00 H new ATOM 493 N ALA A 33 -6.931 6.908 6.227 1.00 0.00 N ATOM 494 CA ALA A 33 -7.067 5.723 7.065 1.00 0.00 C ATOM 495 C ALA A 33 -8.529 5.360 7.287 1.00 0.00 C ATOM 496 O ALA A 33 -9.340 6.193 7.694 1.00 0.00 O ATOM 497 CB ALA A 33 -6.388 5.958 8.404 1.00 0.00 C ATOM 0 H ALA A 33 -7.105 7.790 6.709 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.588 4.891 6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.493 5.069 9.026 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.330 6.166 8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.853 6.808 8.904 1.00 0.00 H new ATOM 503 N ASN A 34 -8.850 4.102 7.007 1.00 0.00 N ATOM 504 CA ASN A 34 -10.205 3.594 7.160 1.00 0.00 C ATOM 505 C ASN A 34 -10.274 2.580 8.298 1.00 0.00 C ATOM 506 O ASN A 34 -9.442 1.674 8.387 1.00 0.00 O ATOM 507 CB ASN A 34 -10.663 2.952 5.846 1.00 0.00 C ATOM 508 CG ASN A 34 -11.872 2.050 6.011 1.00 0.00 C ATOM 509 OD1 ASN A 34 -11.723 0.790 5.621 1.00 0.00 O flip ATOM 510 ND2 ASN A 34 -12.924 2.481 6.484 1.00 0.00 N flip ATOM 0 H ASN A 34 -8.181 3.410 6.669 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.868 4.424 7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.899 3.738 5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.840 2.373 5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.992 3.458 6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.727 1.861 6.590 1.00 0.00 H new ATOM 517 N LYS A 35 -11.270 2.743 9.164 1.00 0.00 N ATOM 518 CA LYS A 35 -11.457 1.848 10.302 1.00 0.00 C ATOM 519 C LYS A 35 -12.882 1.290 10.340 1.00 0.00 C ATOM 520 O LYS A 35 -13.132 0.250 10.947 1.00 0.00 O ATOM 521 CB LYS A 35 -11.149 2.572 11.622 1.00 0.00 C ATOM 522 CG LYS A 35 -10.525 3.950 11.447 1.00 0.00 C ATOM 523 CD LYS A 35 -11.585 5.019 11.239 1.00 0.00 C ATOM 524 CE LYS A 35 -12.190 5.468 12.559 1.00 0.00 C ATOM 525 NZ LYS A 35 -12.957 6.736 12.416 1.00 0.00 N ATOM 0 H LYS A 35 -11.962 3.489 9.099 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.762 1.017 10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.073 2.673 12.192 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.475 1.953 12.214 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.928 4.194 12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.847 3.938 10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.144 5.876 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.371 4.632 10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.848 4.687 12.941 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.397 5.605 13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.353 7.008 13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.324 7.488 12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.730 6.599 11.734 1.00 0.00 H new ATOM 539 N GLU A 36 -13.812 1.990 9.693 1.00 0.00 N ATOM 540 CA GLU A 36 -15.209 1.565 9.661 1.00 0.00 C ATOM 541 C GLU A 36 -15.352 0.163 9.075 1.00 0.00 C ATOM 542 O GLU A 36 -16.332 -0.533 9.343 1.00 0.00 O ATOM 543 CB GLU A 36 -16.043 2.555 8.846 1.00 0.00 C ATOM 544 CG GLU A 36 -17.465 2.717 9.359 1.00 0.00 C ATOM 545 CD GLU A 36 -18.471 2.902 8.240 1.00 0.00 C ATOM 546 OE1 GLU A 36 -18.110 3.513 7.212 1.00 0.00 O ATOM 547 OE2 GLU A 36 -19.620 2.436 8.391 1.00 0.00 O ATOM 0 H GLU A 36 -13.623 2.854 9.184 1.00 0.00 H new ATOM 0 HA GLU A 36 -15.573 1.543 10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.549 3.527 8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.075 2.223 7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.738 1.840 9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.510 3.576 10.029 1.00 0.00 H new ATOM 554 N THR A 37 -14.374 -0.247 8.275 1.00 0.00 N ATOM 555 CA THR A 37 -14.396 -1.565 7.653 1.00 0.00 C ATOM 556 C THR A 37 -12.986 -2.026 7.326 1.00 0.00 C ATOM 557 O THR A 37 -12.077 -1.215 7.153 1.00 0.00 O ATOM 558 CB THR A 37 -15.251 -1.546 6.383 1.00 0.00 C ATOM 559 OG1 THR A 37 -15.183 -2.793 5.715 1.00 0.00 O ATOM 560 CG2 THR A 37 -14.840 -0.475 5.397 1.00 0.00 C ATOM 0 H THR A 37 -13.555 0.315 8.042 1.00 0.00 H new ATOM 0 HA THR A 37 -14.837 -2.267 8.361 1.00 0.00 H new ATOM 0 HB THR A 37 -16.265 -1.333 6.722 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.737 -2.762 4.907 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.488 -0.519 4.521 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.930 0.505 5.866 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.806 -0.638 5.092 1.00 0.00 H new ATOM 568 N THR A 38 -12.809 -3.335 7.250 1.00 0.00 N ATOM 569 CA THR A 38 -11.510 -3.910 6.951 1.00 0.00 C ATOM 570 C THR A 38 -11.249 -3.897 5.441 1.00 0.00 C ATOM 571 O THR A 38 -11.283 -2.837 4.817 1.00 0.00 O ATOM 572 CB THR A 38 -11.431 -5.327 7.526 1.00 0.00 C ATOM 573 OG1 THR A 38 -12.234 -6.221 6.776 1.00 0.00 O ATOM 574 CG2 THR A 38 -11.884 -5.403 8.968 1.00 0.00 C ATOM 0 H THR A 38 -13.551 -4.020 7.392 1.00 0.00 H new ATOM 0 HA THR A 38 -10.731 -3.307 7.418 1.00 0.00 H new ATOM 0 HB THR A 38 -10.379 -5.607 7.471 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.142 -7.127 7.139 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.806 -6.432 9.320 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.253 -4.760 9.582 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.920 -5.072 9.042 1.00 0.00 H new ATOM 582 N PHE A 39 -10.993 -5.066 4.854 1.00 0.00 N ATOM 583 CA PHE A 39 -10.733 -5.155 3.422 1.00 0.00 C ATOM 584 C PHE A 39 -10.558 -6.615 2.981 1.00 0.00 C ATOM 585 O PHE A 39 -11.518 -7.249 2.544 1.00 0.00 O ATOM 586 CB PHE A 39 -9.524 -4.274 3.039 1.00 0.00 C ATOM 587 CG PHE A 39 -8.214 -4.687 3.658 1.00 0.00 C ATOM 588 CD1 PHE A 39 -8.112 -4.926 5.022 1.00 0.00 C ATOM 589 CD2 PHE A 39 -7.084 -4.844 2.870 1.00 0.00 C ATOM 590 CE1 PHE A 39 -6.912 -5.313 5.584 1.00 0.00 C ATOM 591 CE2 PHE A 39 -5.880 -5.229 3.428 1.00 0.00 C ATOM 592 CZ PHE A 39 -5.795 -5.465 4.787 1.00 0.00 C ATOM 0 H PHE A 39 -10.961 -5.958 5.347 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.599 -4.770 2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.415 -4.284 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.737 -3.245 3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.982 -4.808 5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.146 -4.663 1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.847 -5.497 6.646 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.007 -5.345 2.803 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.856 -5.768 5.225 1.00 0.00 H new ATOM 602 N GLN A 40 -9.350 -7.145 3.098 1.00 0.00 N ATOM 603 CA GLN A 40 -9.059 -8.529 2.718 1.00 0.00 C ATOM 604 C GLN A 40 -9.446 -8.794 1.266 1.00 0.00 C ATOM 605 O GLN A 40 -10.574 -9.202 0.995 1.00 0.00 O ATOM 606 CB GLN A 40 -9.796 -9.502 3.646 1.00 0.00 C ATOM 607 CG GLN A 40 -9.807 -9.058 5.105 1.00 0.00 C ATOM 608 CD GLN A 40 -11.188 -8.683 5.631 1.00 0.00 C ATOM 609 OE1 GLN A 40 -11.427 -8.722 6.838 1.00 0.00 O ATOM 610 NE2 GLN A 40 -12.107 -8.317 4.741 1.00 0.00 N ATOM 0 H GLN A 40 -8.543 -6.635 3.457 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.985 -8.687 2.818 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.824 -9.614 3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.328 -10.484 3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.401 -9.860 5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.142 -8.202 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.875 -8.296 3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.043 -8.058 5.052 1.00 0.00 H new ATOM 619 N GLY A 41 -8.504 -8.543 0.338 1.00 0.00 N ATOM 620 CA GLY A 41 -8.756 -8.740 -1.096 1.00 0.00 C ATOM 621 C GLY A 41 -10.232 -8.901 -1.416 1.00 0.00 C ATOM 622 O GLY A 41 -10.801 -9.980 -1.245 1.00 0.00 O ATOM 0 H GLY A 41 -7.567 -8.205 0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.359 -7.890 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.216 -9.623 -1.437 1.00 0.00 H new ATOM 626 N LEU A 42 -10.853 -7.812 -1.851 1.00 0.00 N ATOM 627 CA LEU A 42 -12.275 -7.806 -2.159 1.00 0.00 C ATOM 628 C LEU A 42 -12.583 -6.774 -3.245 1.00 0.00 C ATOM 629 O LEU A 42 -11.796 -5.861 -3.478 1.00 0.00 O ATOM 630 CB LEU A 42 -13.047 -7.492 -0.874 1.00 0.00 C ATOM 631 CG LEU A 42 -14.506 -7.939 -0.840 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.598 -9.406 -0.445 1.00 0.00 C ATOM 633 CD2 LEU A 42 -15.291 -7.071 0.132 1.00 0.00 C ATOM 0 H LEU A 42 -10.389 -6.916 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.578 -8.782 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.526 -7.959 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.014 -6.415 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.937 -7.825 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.644 -9.712 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.056 -10.013 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.160 -9.545 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.331 -7.396 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.863 -7.164 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.242 -6.030 -0.188 1.00 0.00 H new ATOM 645 N THR A 43 -13.721 -6.928 -3.914 1.00 0.00 N ATOM 646 CA THR A 43 -14.109 -6.006 -4.981 1.00 0.00 C ATOM 647 C THR A 43 -15.252 -5.097 -4.539 1.00 0.00 C ATOM 648 O THR A 43 -16.099 -4.709 -5.343 1.00 0.00 O ATOM 649 CB THR A 43 -14.521 -6.789 -6.227 1.00 0.00 C ATOM 650 OG1 THR A 43 -14.711 -8.160 -5.921 1.00 0.00 O ATOM 651 CG2 THR A 43 -13.508 -6.706 -7.346 1.00 0.00 C ATOM 0 H THR A 43 -14.390 -7.678 -3.739 1.00 0.00 H new ATOM 0 HA THR A 43 -13.247 -5.380 -5.214 1.00 0.00 H new ATOM 0 HB THR A 43 -15.450 -6.328 -6.563 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.976 -8.642 -6.732 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.861 -7.283 -8.200 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.376 -5.665 -7.641 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.555 -7.110 -7.005 1.00 0.00 H new ATOM 659 N ILE A 44 -15.265 -4.758 -3.257 1.00 0.00 N ATOM 660 CA ILE A 44 -16.300 -3.888 -2.698 1.00 0.00 C ATOM 661 C ILE A 44 -17.709 -4.472 -2.883 1.00 0.00 C ATOM 662 O ILE A 44 -18.696 -3.878 -2.449 1.00 0.00 O ATOM 663 CB ILE A 44 -16.217 -2.478 -3.329 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.989 -1.728 -2.797 1.00 0.00 C ATOM 665 CG2 ILE A 44 -17.479 -1.670 -3.052 1.00 0.00 C ATOM 666 CD1 ILE A 44 -13.751 -2.589 -2.639 1.00 0.00 C ATOM 0 H ILE A 44 -14.570 -5.072 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 44 -16.116 -3.813 -1.626 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.123 -2.602 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.760 -0.904 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -15.237 -1.288 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.388 -0.685 -3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.342 -2.187 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -17.612 -1.560 -1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.931 -1.980 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.958 -3.398 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.473 -3.008 -3.606 1.00 0.00 H new ATOM 678 N ALA A 45 -17.803 -5.640 -3.512 1.00 0.00 N ATOM 679 CA ALA A 45 -19.091 -6.283 -3.729 1.00 0.00 C ATOM 680 C ALA A 45 -19.576 -6.961 -2.455 1.00 0.00 C ATOM 681 O ALA A 45 -20.757 -6.900 -2.117 1.00 0.00 O ATOM 682 CB ALA A 45 -18.995 -7.291 -4.865 1.00 0.00 C ATOM 0 H ALA A 45 -17.004 -6.158 -3.879 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.815 -5.516 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.966 -7.763 -5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.694 -6.781 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -18.256 -8.052 -4.615 1.00 0.00 H new ATOM 688 N SER A 46 -18.653 -7.606 -1.749 1.00 0.00 N ATOM 689 CA SER A 46 -18.986 -8.293 -0.508 1.00 0.00 C ATOM 690 C SER A 46 -19.289 -7.289 0.600 1.00 0.00 C ATOM 691 O SER A 46 -20.100 -7.555 1.487 1.00 0.00 O ATOM 692 CB SER A 46 -17.840 -9.216 -0.087 1.00 0.00 C ATOM 693 OG SER A 46 -18.225 -10.578 -0.172 1.00 0.00 O ATOM 0 H SER A 46 -17.670 -7.667 -2.015 1.00 0.00 H new ATOM 0 HA SER A 46 -19.878 -8.896 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.974 -9.039 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.538 -8.983 0.934 1.00 0.00 H new ATOM 0 HG SER A 46 -17.475 -11.147 0.100 1.00 0.00 H new ATOM 699 N GLY A 47 -18.637 -6.131 0.539 1.00 0.00 N ATOM 700 CA GLY A 47 -18.860 -5.105 1.541 1.00 0.00 C ATOM 701 C GLY A 47 -17.600 -4.332 1.889 1.00 0.00 C ATOM 702 O GLY A 47 -17.241 -4.217 3.060 1.00 0.00 O ATOM 0 H GLY A 47 -17.961 -5.886 -0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.618 -4.410 1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.257 -5.567 2.445 1.00 0.00 H new ATOM 706 N ALA A 48 -16.929 -3.798 0.872 1.00 0.00 N ATOM 707 CA ALA A 48 -15.706 -3.030 1.088 1.00 0.00 C ATOM 708 C ALA A 48 -15.842 -1.609 0.547 1.00 0.00 C ATOM 709 O ALA A 48 -16.920 -1.200 0.118 1.00 0.00 O ATOM 710 CB ALA A 48 -14.520 -3.733 0.446 1.00 0.00 C ATOM 0 H ALA A 48 -17.209 -3.882 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.535 -2.963 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.616 -3.149 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.401 -4.722 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.692 -3.832 -0.626 1.00 0.00 H new ATOM 716 N ARG A 49 -14.742 -0.860 0.574 1.00 0.00 N ATOM 717 CA ARG A 49 -14.742 0.517 0.088 1.00 0.00 C ATOM 718 C ARG A 49 -13.950 0.641 -1.212 1.00 0.00 C ATOM 719 O ARG A 49 -12.890 0.035 -1.365 1.00 0.00 O ATOM 720 CB ARG A 49 -14.156 1.453 1.147 1.00 0.00 C ATOM 721 CG ARG A 49 -14.542 2.909 0.950 1.00 0.00 C ATOM 722 CD ARG A 49 -14.096 3.768 2.123 1.00 0.00 C ATOM 723 NE ARG A 49 -15.148 3.912 3.127 1.00 0.00 N ATOM 724 CZ ARG A 49 -15.069 4.734 4.170 1.00 0.00 C ATOM 725 NH1 ARG A 49 -13.993 5.490 4.350 1.00 0.00 N ATOM 726 NH2 ARG A 49 -16.071 4.803 5.036 1.00 0.00 N ATOM 0 H ARG A 49 -13.841 -1.183 0.927 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.775 0.803 -0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.489 1.127 2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.069 1.369 1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.092 3.285 0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.623 2.987 0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.214 3.323 2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.804 4.753 1.760 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.992 3.349 3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.220 5.443 3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.939 6.118 5.152 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.901 4.226 4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.011 5.433 5.836 1.00 0.00 H new ATOM 740 N GLU A 50 -14.473 1.433 -2.145 1.00 0.00 N ATOM 741 CA GLU A 50 -13.819 1.640 -3.436 1.00 0.00 C ATOM 742 C GLU A 50 -12.395 2.164 -3.262 1.00 0.00 C ATOM 743 O GLU A 50 -11.577 2.090 -4.185 1.00 0.00 O ATOM 744 CB GLU A 50 -14.633 2.611 -4.292 1.00 0.00 C ATOM 745 CG GLU A 50 -15.647 1.924 -5.190 1.00 0.00 C ATOM 746 CD GLU A 50 -16.828 2.813 -5.525 1.00 0.00 C ATOM 747 OE1 GLU A 50 -16.639 4.045 -5.608 1.00 0.00 O ATOM 748 OE2 GLU A 50 -17.942 2.278 -5.704 1.00 0.00 O ATOM 0 H GLU A 50 -15.349 1.943 -2.031 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.764 0.675 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.154 3.310 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.952 3.198 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.157 1.614 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.006 1.019 -4.700 1.00 0.00 H new ATOM 755 N SER A 51 -12.103 2.693 -2.081 1.00 0.00 N ATOM 756 CA SER A 51 -10.783 3.229 -1.789 1.00 0.00 C ATOM 757 C SER A 51 -9.750 2.111 -1.637 1.00 0.00 C ATOM 758 O SER A 51 -8.742 2.086 -2.341 1.00 0.00 O ATOM 759 CB SER A 51 -10.839 4.072 -0.525 1.00 0.00 C ATOM 760 OG SER A 51 -12.146 4.574 -0.303 1.00 0.00 O ATOM 0 H SER A 51 -12.766 2.762 -1.309 1.00 0.00 H new ATOM 0 HA SER A 51 -10.474 3.854 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.527 3.472 0.330 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.137 4.902 -0.606 1.00 0.00 H new ATOM 0 HG SER A 51 -12.123 5.554 -0.294 1.00 0.00 H new ATOM 766 N GLU A 52 -10.000 1.183 -0.717 1.00 0.00 N ATOM 767 CA GLU A 52 -9.084 0.068 -0.495 1.00 0.00 C ATOM 768 C GLU A 52 -8.697 -0.590 -1.822 1.00 0.00 C ATOM 769 O GLU A 52 -7.527 -0.897 -2.062 1.00 0.00 O ATOM 770 CB GLU A 52 -9.725 -0.963 0.435 1.00 0.00 C ATOM 771 CG GLU A 52 -10.136 -0.396 1.784 1.00 0.00 C ATOM 772 CD GLU A 52 -11.221 -1.216 2.455 1.00 0.00 C ATOM 773 OE1 GLU A 52 -11.400 -2.391 2.072 1.00 0.00 O ATOM 774 OE2 GLU A 52 -11.890 -0.683 3.365 1.00 0.00 O ATOM 0 H GLU A 52 -10.824 1.181 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.179 0.456 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.603 -1.385 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.024 -1.782 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.264 -0.351 2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.488 0.627 1.652 1.00 0.00 H new ATOM 781 N LYS A 53 -9.693 -0.800 -2.681 1.00 0.00 N ATOM 782 CA LYS A 53 -9.467 -1.421 -3.986 1.00 0.00 C ATOM 783 C LYS A 53 -8.606 -0.538 -4.884 1.00 0.00 C ATOM 784 O LYS A 53 -7.536 -0.961 -5.327 1.00 0.00 O ATOM 785 CB LYS A 53 -10.797 -1.726 -4.678 1.00 0.00 C ATOM 786 CG LYS A 53 -11.806 -0.611 -4.528 1.00 0.00 C ATOM 787 CD LYS A 53 -12.415 -0.208 -5.857 1.00 0.00 C ATOM 788 CE LYS A 53 -13.779 -0.847 -6.065 1.00 0.00 C ATOM 789 NZ LYS A 53 -14.263 -0.679 -7.464 1.00 0.00 N ATOM 0 H LYS A 53 -10.665 -0.549 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.933 -2.355 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.617 -1.906 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.214 -2.645 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.597 -0.928 -3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.324 0.255 -4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.511 0.877 -5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.748 -0.501 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.723 -1.909 -5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.497 -0.402 -5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.196 -1.128 -7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.341 0.334 -7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.591 -1.126 -8.120 1.00 0.00 H new ATOM 803 N VAL A 54 -9.058 0.692 -5.158 1.00 0.00 N ATOM 804 CA VAL A 54 -8.297 1.593 -6.000 1.00 0.00 C ATOM 805 C VAL A 54 -6.850 1.654 -5.537 1.00 0.00 C ATOM 806 O VAL A 54 -5.922 1.568 -6.341 1.00 0.00 O ATOM 807 CB VAL A 54 -8.893 3.005 -5.998 1.00 0.00 C ATOM 808 CG1 VAL A 54 -10.211 3.035 -6.756 1.00 0.00 C ATOM 809 CG2 VAL A 54 -9.070 3.524 -4.584 1.00 0.00 C ATOM 0 H VAL A 54 -9.937 1.073 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.340 1.203 -7.017 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.192 3.665 -6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.616 4.047 -6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.044 2.725 -7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.919 2.354 -6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.494 4.527 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.741 2.863 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.102 3.555 -4.084 1.00 0.00 H new ATOM 819 N PHE A 55 -6.668 1.776 -4.227 1.00 0.00 N ATOM 820 CA PHE A 55 -5.333 1.817 -3.645 1.00 0.00 C ATOM 821 C PHE A 55 -4.546 0.584 -4.070 1.00 0.00 C ATOM 822 O PHE A 55 -3.448 0.693 -4.616 1.00 0.00 O ATOM 823 CB PHE A 55 -5.404 1.885 -2.118 1.00 0.00 C ATOM 824 CG PHE A 55 -4.243 2.612 -1.496 1.00 0.00 C ATOM 825 CD1 PHE A 55 -2.958 2.460 -1.996 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.439 3.451 -0.414 1.00 0.00 C ATOM 827 CE1 PHE A 55 -1.894 3.132 -1.427 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.379 4.125 0.160 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.104 3.966 -0.346 1.00 0.00 C ATOM 0 H PHE A 55 -7.427 1.848 -3.549 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.829 2.713 -4.006 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.331 2.380 -1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.444 0.872 -1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.788 1.808 -2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.433 3.581 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.899 3.006 -1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.547 4.777 1.005 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.274 4.492 0.102 1.00 0.00 H new ATOM 839 N ALA A 56 -5.125 -0.594 -3.832 1.00 0.00 N ATOM 840 CA ALA A 56 -4.482 -1.849 -4.208 1.00 0.00 C ATOM 841 C ALA A 56 -3.983 -1.785 -5.644 1.00 0.00 C ATOM 842 O ALA A 56 -2.854 -2.175 -5.940 1.00 0.00 O ATOM 843 CB ALA A 56 -5.446 -3.014 -4.043 1.00 0.00 C ATOM 0 H ALA A 56 -6.034 -0.703 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.629 -2.005 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.949 -3.941 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.764 -3.078 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.317 -2.859 -4.680 1.00 0.00 H new ATOM 849 N GLN A 57 -4.836 -1.286 -6.533 1.00 0.00 N ATOM 850 CA GLN A 57 -4.477 -1.167 -7.941 1.00 0.00 C ATOM 851 C GLN A 57 -3.319 -0.188 -8.127 1.00 0.00 C ATOM 852 O GLN A 57 -2.363 -0.466 -8.857 1.00 0.00 O ATOM 853 CB GLN A 57 -5.686 -0.707 -8.760 1.00 0.00 C ATOM 854 CG GLN A 57 -6.391 -1.837 -9.492 1.00 0.00 C ATOM 855 CD GLN A 57 -5.628 -2.304 -10.715 1.00 0.00 C ATOM 856 OE1 GLN A 57 -5.842 -1.809 -11.822 1.00 0.00 O ATOM 857 NE2 GLN A 57 -4.732 -3.264 -10.522 1.00 0.00 N ATOM 0 H GLN A 57 -5.775 -0.959 -6.305 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.160 -2.148 -8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.398 -0.215 -8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.360 0.038 -9.486 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.527 -2.677 -8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.385 -1.506 -9.793 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.587 -3.646 -9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.189 -3.620 -11.308 1.00 0.00 H new ATOM 866 N THR A 58 -3.412 0.961 -7.465 1.00 0.00 N ATOM 867 CA THR A 58 -2.380 1.985 -7.564 1.00 0.00 C ATOM 868 C THR A 58 -1.056 1.493 -6.993 1.00 0.00 C ATOM 869 O THR A 58 -0.030 1.541 -7.673 1.00 0.00 O ATOM 870 CB THR A 58 -2.827 3.263 -6.855 1.00 0.00 C ATOM 871 OG1 THR A 58 -3.765 2.967 -5.837 1.00 0.00 O ATOM 872 CG2 THR A 58 -3.464 4.267 -7.792 1.00 0.00 C ATOM 0 H THR A 58 -4.192 1.206 -6.855 1.00 0.00 H new ATOM 0 HA THR A 58 -2.227 2.206 -8.620 1.00 0.00 H new ATOM 0 HB THR A 58 -1.920 3.701 -6.438 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.378 2.317 -5.214 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.760 5.153 -7.230 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.748 4.550 -8.564 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.343 3.823 -8.258 1.00 0.00 H new ATOM 880 N VAL A 59 -1.069 1.011 -5.751 1.00 0.00 N ATOM 881 CA VAL A 59 0.156 0.513 -5.141 1.00 0.00 C ATOM 882 C VAL A 59 0.708 -0.653 -5.953 1.00 0.00 C ATOM 883 O VAL A 59 1.915 -0.768 -6.141 1.00 0.00 O ATOM 884 CB VAL A 59 -0.034 0.093 -3.659 1.00 0.00 C ATOM 885 CG1 VAL A 59 -1.171 -0.899 -3.496 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.254 -0.489 -3.094 1.00 0.00 C ATOM 0 H VAL A 59 -1.898 0.956 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 59 0.870 1.336 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.292 0.992 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.271 -1.168 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.100 -0.448 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.959 -1.794 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.098 -0.777 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.542 -1.366 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.046 0.258 -3.149 1.00 0.00 H new ATOM 896 N LEU A 60 -0.178 -1.503 -6.463 1.00 0.00 N ATOM 897 CA LEU A 60 0.253 -2.632 -7.273 1.00 0.00 C ATOM 898 C LEU A 60 0.981 -2.140 -8.521 1.00 0.00 C ATOM 899 O LEU A 60 1.973 -2.732 -8.948 1.00 0.00 O ATOM 900 CB LEU A 60 -0.946 -3.495 -7.670 1.00 0.00 C ATOM 901 CG LEU A 60 -0.617 -4.654 -8.610 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.200 -5.882 -7.817 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.806 -4.970 -9.505 1.00 0.00 C ATOM 0 H LEU A 60 -1.187 -1.432 -6.331 1.00 0.00 H new ATOM 0 HA LEU A 60 0.938 -3.239 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.402 -3.897 -6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.692 -2.859 -8.147 1.00 0.00 H new ATOM 0 HG LEU A 60 0.218 -4.357 -9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.030 -6.697 -8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.683 -5.648 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.014 -6.182 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.553 -5.798 -10.167 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.662 -5.247 -8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.056 -4.092 -10.101 1.00 0.00 H new ATOM 915 N SER A 61 0.477 -1.056 -9.104 1.00 0.00 N ATOM 916 CA SER A 61 1.074 -0.484 -10.308 1.00 0.00 C ATOM 917 C SER A 61 2.435 0.152 -10.023 1.00 0.00 C ATOM 918 O SER A 61 3.448 -0.251 -10.595 1.00 0.00 O ATOM 919 CB SER A 61 0.140 0.562 -10.916 1.00 0.00 C ATOM 920 OG SER A 61 -1.137 0.010 -11.190 1.00 0.00 O ATOM 0 H SER A 61 -0.344 -0.556 -8.762 1.00 0.00 H new ATOM 0 HA SER A 61 1.224 -1.301 -11.014 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.036 1.403 -10.231 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.576 0.952 -11.836 1.00 0.00 H new ATOM 0 HG SER A 61 -1.679 0.019 -10.374 1.00 0.00 H new ATOM 926 N HIS A 62 2.451 1.154 -9.146 1.00 0.00 N ATOM 927 CA HIS A 62 3.685 1.853 -8.798 1.00 0.00 C ATOM 928 C HIS A 62 4.769 0.875 -8.363 1.00 0.00 C ATOM 929 O HIS A 62 5.961 1.147 -8.511 1.00 0.00 O ATOM 930 CB HIS A 62 3.421 2.866 -7.683 1.00 0.00 C ATOM 931 CG HIS A 62 2.670 4.078 -8.142 1.00 0.00 C ATOM 932 ND1 HIS A 62 2.816 4.623 -9.401 1.00 0.00 N ATOM 933 CD2 HIS A 62 1.759 4.851 -7.503 1.00 0.00 C ATOM 934 CE1 HIS A 62 2.030 5.678 -9.516 1.00 0.00 C ATOM 935 NE2 HIS A 62 1.378 5.837 -8.379 1.00 0.00 N ATOM 0 H HIS A 62 1.622 1.500 -8.663 1.00 0.00 H new ATOM 0 HA HIS A 62 4.035 2.378 -9.687 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.858 2.379 -6.887 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.373 3.179 -7.254 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.400 4.717 -6.493 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.936 6.304 -10.391 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.700 6.574 -8.183 1.00 0.00 H new ATOM 944 N VAL A 63 4.349 -0.262 -7.825 1.00 0.00 N ATOM 945 CA VAL A 63 5.284 -1.279 -7.367 1.00 0.00 C ATOM 946 C VAL A 63 5.379 -2.424 -8.366 1.00 0.00 C ATOM 947 O VAL A 63 5.320 -3.597 -7.993 1.00 0.00 O ATOM 948 CB VAL A 63 4.872 -1.850 -6.009 1.00 0.00 C ATOM 949 CG1 VAL A 63 6.019 -2.595 -5.364 1.00 0.00 C ATOM 950 CG2 VAL A 63 4.346 -0.763 -5.088 1.00 0.00 C ATOM 0 H VAL A 63 3.366 -0.503 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 63 6.254 -0.792 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 63 4.062 -2.559 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.699 -2.991 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.328 -3.417 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.858 -1.915 -5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.062 -1.202 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.122 -0.015 -4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.475 -0.290 -5.543 1.00 0.00 H new ATOM 960 N ALA A 64 5.520 -2.082 -9.638 1.00 0.00 N ATOM 961 CA ALA A 64 5.615 -3.087 -10.687 1.00 0.00 C ATOM 962 C ALA A 64 7.001 -3.735 -10.716 1.00 0.00 C ATOM 963 O ALA A 64 7.678 -3.700 -11.743 1.00 0.00 O ATOM 964 CB ALA A 64 5.292 -2.463 -12.037 1.00 0.00 C ATOM 0 H ALA A 64 5.571 -1.118 -9.969 1.00 0.00 H new ATOM 0 HA ALA A 64 4.888 -3.870 -10.472 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.366 -3.222 -12.816 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.280 -2.059 -12.018 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.999 -1.660 -12.245 1.00 0.00 H new ATOM 970 N ASN A 65 7.406 -4.331 -9.582 1.00 0.00 N ATOM 971 CA ASN A 65 8.710 -5.008 -9.446 1.00 0.00 C ATOM 972 C ASN A 65 9.430 -4.580 -8.165 1.00 0.00 C ATOM 973 O ASN A 65 9.674 -5.398 -7.278 1.00 0.00 O ATOM 974 CB ASN A 65 9.623 -4.748 -10.653 1.00 0.00 C ATOM 975 CG ASN A 65 11.019 -5.316 -10.466 1.00 0.00 C ATOM 976 OD1 ASN A 65 11.942 -4.606 -10.066 1.00 0.00 O ATOM 977 ND2 ASN A 65 11.178 -6.602 -10.754 1.00 0.00 N ATOM 0 H ASN A 65 6.840 -4.358 -8.734 1.00 0.00 H new ATOM 0 HA ASN A 65 8.497 -6.076 -9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.174 -5.186 -11.544 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.692 -3.674 -10.826 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.093 -7.039 -10.647 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.385 -7.153 -11.083 1.00 0.00 H new ATOM 984 N VAL A 66 9.774 -3.295 -8.082 1.00 0.00 N ATOM 985 CA VAL A 66 10.479 -2.746 -6.919 1.00 0.00 C ATOM 986 C VAL A 66 11.596 -3.687 -6.438 1.00 0.00 C ATOM 987 O VAL A 66 12.331 -4.236 -7.258 1.00 0.00 O ATOM 988 CB VAL A 66 9.497 -2.429 -5.778 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.508 -1.375 -6.232 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.789 -3.692 -5.306 1.00 0.00 C ATOM 0 H VAL A 66 9.575 -2.609 -8.810 1.00 0.00 H new ATOM 0 HA VAL A 66 10.948 -1.813 -7.232 1.00 0.00 H new ATOM 0 HB VAL A 66 10.054 -2.034 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.814 -1.153 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.045 -0.467 -6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.952 -1.745 -7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.100 -3.443 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.233 -4.129 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.526 -4.409 -4.945 1.00 0.00 H new ATOM 1000 N VAL A 67 11.734 -3.880 -5.121 1.00 0.00 N ATOM 1001 CA VAL A 67 12.782 -4.765 -4.602 1.00 0.00 C ATOM 1002 C VAL A 67 12.469 -5.252 -3.196 1.00 0.00 C ATOM 1003 O VAL A 67 12.828 -6.366 -2.816 1.00 0.00 O ATOM 1004 CB VAL A 67 14.169 -4.084 -4.616 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.345 -3.164 -3.416 1.00 0.00 C ATOM 1006 CG2 VAL A 67 15.270 -5.131 -4.654 1.00 0.00 C ATOM 0 H VAL A 67 11.147 -3.446 -4.409 1.00 0.00 H new ATOM 0 HA VAL A 67 12.809 -5.626 -5.270 1.00 0.00 H new ATOM 0 HB VAL A 67 14.236 -3.472 -5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.331 -2.700 -3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.578 -2.389 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.252 -3.743 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 67 16.242 -4.637 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.196 -5.769 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 67 15.163 -5.739 -5.552 1.00 0.00 H new ATOM 1016 N LEU A 68 11.793 -4.410 -2.441 1.00 0.00 N ATOM 1017 CA LEU A 68 11.396 -4.725 -1.073 1.00 0.00 C ATOM 1018 C LEU A 68 12.489 -5.451 -0.297 1.00 0.00 C ATOM 1019 O LEU A 68 12.602 -6.671 -0.363 1.00 0.00 O ATOM 1020 CB LEU A 68 10.123 -5.578 -1.083 1.00 0.00 C ATOM 1021 CG LEU A 68 8.987 -5.044 -1.964 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.562 -6.086 -2.988 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.799 -4.624 -1.111 1.00 0.00 C ATOM 0 H LEU A 68 11.500 -3.485 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 68 11.212 -3.777 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.380 -6.583 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.757 -5.668 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 68 9.356 -4.169 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.755 -5.685 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.411 -6.338 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.215 -6.982 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.004 -4.248 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.434 -5.483 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.107 -3.840 -0.419 1.00 0.00 H new ATOM 1035 N THR A 69 13.273 -4.695 0.462 1.00 0.00 N ATOM 1036 CA THR A 69 14.331 -5.282 1.270 1.00 0.00 C ATOM 1037 C THR A 69 13.721 -6.140 2.374 1.00 0.00 C ATOM 1038 O THR A 69 12.536 -6.469 2.327 1.00 0.00 O ATOM 1039 CB THR A 69 15.209 -4.185 1.876 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.522 -3.509 2.913 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.653 -3.148 0.867 1.00 0.00 C ATOM 0 H THR A 69 13.196 -3.680 0.534 1.00 0.00 H new ATOM 0 HA THR A 69 14.954 -5.911 0.634 1.00 0.00 H new ATOM 0 HB THR A 69 16.092 -4.699 2.257 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.931 -3.731 3.775 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.272 -2.400 1.362 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.230 -3.631 0.078 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.778 -2.665 0.433 1.00 0.00 H new ATOM 1049 N GLN A 70 14.526 -6.498 3.366 1.00 0.00 N ATOM 1050 CA GLN A 70 14.042 -7.315 4.473 1.00 0.00 C ATOM 1051 C GLN A 70 12.885 -6.621 5.191 1.00 0.00 C ATOM 1052 O GLN A 70 11.954 -7.272 5.674 1.00 0.00 O ATOM 1053 CB GLN A 70 15.180 -7.606 5.460 1.00 0.00 C ATOM 1054 CG GLN A 70 15.557 -6.420 6.336 1.00 0.00 C ATOM 1055 CD GLN A 70 16.074 -5.241 5.535 1.00 0.00 C ATOM 1056 OE1 GLN A 70 15.421 -4.201 5.447 1.00 0.00 O ATOM 1057 NE2 GLN A 70 17.254 -5.399 4.947 1.00 0.00 N ATOM 0 H GLN A 70 15.510 -6.238 3.428 1.00 0.00 H new ATOM 0 HA GLN A 70 13.679 -8.260 4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.888 -8.439 6.100 1.00 0.00 H new ATOM 0 HB3 GLN A 70 16.059 -7.926 4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.686 -6.108 6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.319 -6.730 7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.760 -6.279 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.654 -4.640 4.395 1.00 0.00 H new ATOM 1066 N GLU A 71 12.948 -5.294 5.250 1.00 0.00 N ATOM 1067 CA GLU A 71 11.911 -4.509 5.904 1.00 0.00 C ATOM 1068 C GLU A 71 10.610 -4.582 5.121 1.00 0.00 C ATOM 1069 O GLU A 71 9.555 -4.885 5.677 1.00 0.00 O ATOM 1070 CB GLU A 71 12.355 -3.051 6.045 1.00 0.00 C ATOM 1071 CG GLU A 71 11.650 -2.305 7.167 1.00 0.00 C ATOM 1072 CD GLU A 71 11.726 -0.800 7.003 1.00 0.00 C ATOM 1073 OE1 GLU A 71 12.842 -0.281 6.789 1.00 0.00 O ATOM 1074 OE2 GLU A 71 10.669 -0.140 7.089 1.00 0.00 O ATOM 0 H GLU A 71 13.707 -4.741 4.852 1.00 0.00 H new ATOM 0 HA GLU A 71 11.744 -4.925 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.430 -3.023 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.172 -2.532 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.604 -2.611 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.095 -2.586 8.121 1.00 0.00 H new ATOM 1081 N ASP A 72 10.695 -4.305 3.826 1.00 0.00 N ATOM 1082 CA ASP A 72 9.528 -4.341 2.959 1.00 0.00 C ATOM 1083 C ASP A 72 8.908 -5.738 2.942 1.00 0.00 C ATOM 1084 O ASP A 72 7.688 -5.887 2.999 1.00 0.00 O ATOM 1085 CB ASP A 72 9.911 -3.913 1.548 1.00 0.00 C ATOM 1086 CG ASP A 72 10.357 -2.466 1.483 1.00 0.00 C ATOM 1087 OD1 ASP A 72 11.479 -2.169 1.946 1.00 0.00 O ATOM 1088 OD2 ASP A 72 9.585 -1.629 0.970 1.00 0.00 O ATOM 0 H ASP A 72 11.563 -4.053 3.354 1.00 0.00 H new ATOM 0 HA ASP A 72 8.786 -3.645 3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.713 -4.554 1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.059 -4.058 0.884 1.00 0.00 H new ATOM 1093 N THR A 73 9.755 -6.762 2.877 1.00 0.00 N ATOM 1094 CA THR A 73 9.281 -8.143 2.871 1.00 0.00 C ATOM 1095 C THR A 73 8.537 -8.448 4.167 1.00 0.00 C ATOM 1096 O THR A 73 7.441 -9.024 4.155 1.00 0.00 O ATOM 1097 CB THR A 73 10.452 -9.111 2.697 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.172 -8.820 1.513 1.00 0.00 O ATOM 1099 CG2 THR A 73 10.025 -10.561 2.630 1.00 0.00 C ATOM 0 H THR A 73 10.769 -6.662 2.828 1.00 0.00 H new ATOM 0 HA THR A 73 8.598 -8.271 2.032 1.00 0.00 H new ATOM 0 HB THR A 73 11.074 -8.973 3.581 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.705 -8.008 1.645 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.904 -11.194 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.510 -10.832 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.353 -10.704 1.784 1.00 0.00 H new ATOM 1107 N ALA A 74 9.118 -8.017 5.282 1.00 0.00 N ATOM 1108 CA ALA A 74 8.494 -8.205 6.581 1.00 0.00 C ATOM 1109 C ALA A 74 7.265 -7.326 6.645 1.00 0.00 C ATOM 1110 O ALA A 74 6.275 -7.640 7.305 1.00 0.00 O ATOM 1111 CB ALA A 74 9.464 -7.865 7.703 1.00 0.00 C ATOM 0 H ALA A 74 10.017 -7.537 5.309 1.00 0.00 H new ATOM 0 HA ALA A 74 8.210 -9.250 6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.974 -8.014 8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.338 -8.513 7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.776 -6.825 7.612 1.00 0.00 H new ATOM 1117 N LYS A 75 7.346 -6.231 5.907 1.00 0.00 N ATOM 1118 CA LYS A 75 6.269 -5.275 5.800 1.00 0.00 C ATOM 1119 C LYS A 75 4.999 -5.976 5.313 1.00 0.00 C ATOM 1120 O LYS A 75 3.966 -5.951 5.987 1.00 0.00 O ATOM 1121 CB LYS A 75 6.697 -4.189 4.817 1.00 0.00 C ATOM 1122 CG LYS A 75 6.510 -2.769 5.314 1.00 0.00 C ATOM 1123 CD LYS A 75 7.674 -2.323 6.186 1.00 0.00 C ATOM 1124 CE LYS A 75 8.509 -1.251 5.502 1.00 0.00 C ATOM 1125 NZ LYS A 75 8.217 0.107 6.039 1.00 0.00 N ATOM 0 H LYS A 75 8.172 -5.983 5.362 1.00 0.00 H new ATOM 0 HA LYS A 75 6.054 -4.829 6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.748 -4.337 4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.132 -4.312 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.413 -2.095 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.582 -2.701 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.294 -1.940 7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.304 -3.181 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.567 -1.475 5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.313 -1.267 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.067 0.768 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.360 0.071 6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.019 0.432 6.615 1.00 0.00 H new ATOM 1139 N LEU A 76 5.088 -6.618 4.143 1.00 0.00 N ATOM 1140 CA LEU A 76 3.944 -7.336 3.588 1.00 0.00 C ATOM 1141 C LEU A 76 3.539 -8.473 4.514 1.00 0.00 C ATOM 1142 O LEU A 76 2.378 -8.579 4.909 1.00 0.00 O ATOM 1143 CB LEU A 76 4.248 -7.908 2.198 1.00 0.00 C ATOM 1144 CG LEU A 76 4.426 -6.874 1.086 1.00 0.00 C ATOM 1145 CD1 LEU A 76 5.865 -6.383 1.036 1.00 0.00 C ATOM 1146 CD2 LEU A 76 4.013 -7.465 -0.255 1.00 0.00 C ATOM 0 H LEU A 76 5.931 -6.653 3.571 1.00 0.00 H new ATOM 0 HA LEU A 76 3.128 -6.619 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.156 -8.508 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.439 -8.583 1.917 1.00 0.00 H new ATOM 0 HG LEU A 76 3.783 -6.020 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.971 -5.648 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.126 -5.924 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.530 -7.225 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.145 -6.718 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.632 -8.335 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.966 -7.766 -0.213 1.00 0.00 H new ATOM 1158 N LEU A 77 4.504 -9.331 4.858 1.00 0.00 N ATOM 1159 CA LEU A 77 4.225 -10.462 5.738 1.00 0.00 C ATOM 1160 C LEU A 77 3.583 -9.988 7.040 1.00 0.00 C ATOM 1161 O LEU A 77 2.757 -10.689 7.625 1.00 0.00 O ATOM 1162 CB LEU A 77 5.504 -11.276 6.005 1.00 0.00 C ATOM 1163 CG LEU A 77 6.278 -10.934 7.284 1.00 0.00 C ATOM 1164 CD1 LEU A 77 5.560 -11.477 8.514 1.00 0.00 C ATOM 1165 CD2 LEU A 77 7.692 -11.490 7.208 1.00 0.00 C ATOM 0 H LEU A 77 5.472 -9.263 4.544 1.00 0.00 H new ATOM 0 HA LEU A 77 3.514 -11.120 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.235 -12.332 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.175 -11.146 5.155 1.00 0.00 H new ATOM 0 HG LEU A 77 6.331 -9.849 7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.128 -11.222 9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.565 -11.037 8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.473 -12.561 8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.231 -11.240 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.651 -12.573 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.208 -11.055 6.352 1.00 0.00 H new ATOM 1177 N GLN A 78 3.954 -8.788 7.481 1.00 0.00 N ATOM 1178 CA GLN A 78 3.393 -8.224 8.703 1.00 0.00 C ATOM 1179 C GLN A 78 1.920 -7.905 8.500 1.00 0.00 C ATOM 1180 O GLN A 78 1.048 -8.514 9.124 1.00 0.00 O ATOM 1181 CB GLN A 78 4.149 -6.960 9.116 1.00 0.00 C ATOM 1182 CG GLN A 78 3.741 -6.430 10.481 1.00 0.00 C ATOM 1183 CD GLN A 78 3.369 -4.961 10.453 1.00 0.00 C ATOM 1184 OE1 GLN A 78 2.084 -4.680 10.265 1.00 0.00 O flip ATOM 1185 NE2 GLN A 78 4.225 -4.089 10.599 1.00 0.00 N flip ATOM 0 H GLN A 78 4.636 -8.192 7.013 1.00 0.00 H new ATOM 0 HA GLN A 78 3.495 -8.961 9.499 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.218 -7.171 9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.981 -6.185 8.369 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.894 -7.008 10.852 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.561 -6.579 11.184 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.201 -4.351 10.741 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.959 -3.105 10.578 1.00 0.00 H new ATOM 1194 N SER A 79 1.647 -6.959 7.611 1.00 0.00 N ATOM 1195 CA SER A 79 0.275 -6.572 7.314 1.00 0.00 C ATOM 1196 C SER A 79 -0.526 -7.768 6.804 1.00 0.00 C ATOM 1197 O SER A 79 -1.755 -7.784 6.883 1.00 0.00 O ATOM 1198 CB SER A 79 0.255 -5.450 6.277 1.00 0.00 C ATOM 1199 OG SER A 79 -0.741 -4.490 6.585 1.00 0.00 O ATOM 0 H SER A 79 2.355 -6.447 7.085 1.00 0.00 H new ATOM 0 HA SER A 79 -0.186 -6.214 8.235 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.231 -4.967 6.240 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.069 -5.868 5.288 1.00 0.00 H new ATOM 0 HG SER A 79 -1.304 -4.338 5.797 1.00 0.00 H new ATOM 1205 N THR A 80 0.178 -8.770 6.280 1.00 0.00 N ATOM 1206 CA THR A 80 -0.467 -9.969 5.758 1.00 0.00 C ATOM 1207 C THR A 80 -1.004 -10.838 6.892 1.00 0.00 C ATOM 1208 O THR A 80 -2.213 -11.031 7.020 1.00 0.00 O ATOM 1209 CB THR A 80 0.518 -10.771 4.900 1.00 0.00 C ATOM 1210 OG1 THR A 80 0.840 -10.065 3.716 1.00 0.00 O ATOM 1211 CG2 THR A 80 -0.005 -12.133 4.490 1.00 0.00 C ATOM 0 H THR A 80 1.195 -8.773 6.207 1.00 0.00 H new ATOM 0 HA THR A 80 -1.308 -9.659 5.137 1.00 0.00 H new ATOM 0 HB THR A 80 1.395 -10.913 5.531 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.258 -9.209 3.949 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.744 -12.644 3.885 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.217 -12.724 5.381 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.919 -12.012 3.909 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.952 -11.684 0.518 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.349 -11.270 -0.821 1.00 0.00 C ATOM 1324 C ASN A 87 -3.142 -10.822 -1.640 1.00 0.00 C ATOM 1325 O ASN A 87 -3.225 -10.686 -2.866 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.383 -10.142 -0.745 1.00 0.00 C ATOM 1327 CG ASN A 87 -4.795 -8.845 -0.221 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.777 -8.846 0.469 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -5.438 -7.730 -0.549 1.00 0.00 N ATOM 0 HA ASN A 87 -4.797 -12.130 -1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.803 -9.972 -1.736 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.205 -10.451 -0.099 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -5.090 -6.827 -0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.279 -7.777 -1.124 1.00 0.00 H new ATOM 1336 N TYR A 88 -2.014 -10.585 -0.971 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.824 -10.155 -1.670 1.00 0.00 C ATOM 1338 C TYR A 88 0.161 -11.306 -1.821 1.00 0.00 C ATOM 1339 O TYR A 88 0.334 -12.115 -0.910 1.00 0.00 O ATOM 1340 CB TYR A 88 -0.179 -8.971 -0.947 1.00 0.00 C ATOM 1341 CG TYR A 88 -0.615 -7.637 -1.503 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -1.961 -7.355 -1.702 1.00 0.00 C ATOM 1343 CD2 TYR A 88 0.316 -6.672 -1.856 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -2.365 -6.146 -2.234 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -0.079 -5.462 -2.393 1.00 0.00 C ATOM 1346 CZ TYR A 88 -1.420 -5.203 -2.579 1.00 0.00 C ATOM 1347 OH TYR A 88 -1.818 -4.002 -3.119 1.00 0.00 O ATOM 0 H TYR A 88 -1.908 -10.684 0.039 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.110 -9.829 -2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.431 -9.017 0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.905 -9.053 -1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.703 -8.093 -1.436 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.367 -6.870 -1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.415 -5.940 -2.379 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.659 -4.723 -2.666 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.213 -3.443 -2.418 1.00 0.00 H new ATOM 1357 N ASP A 89 0.789 -11.385 -2.990 1.00 0.00 N ATOM 1358 CA ASP A 89 1.730 -12.429 -3.286 1.00 0.00 C ATOM 1359 C ASP A 89 3.143 -11.836 -3.342 1.00 0.00 C ATOM 1360 O ASP A 89 3.337 -10.674 -3.718 1.00 0.00 O ATOM 1361 CB ASP A 89 1.279 -13.074 -4.601 1.00 0.00 C ATOM 1362 CG ASP A 89 2.410 -13.613 -5.457 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.442 -14.030 -4.891 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.257 -13.629 -6.695 1.00 0.00 O ATOM 0 H ASP A 89 0.651 -10.720 -3.751 1.00 0.00 H new ATOM 0 HA ASP A 89 1.761 -13.202 -2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.591 -13.889 -4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.721 -12.338 -5.180 1.00 0.00 H new ATOM 1369 N LEU A 90 4.121 -12.615 -2.923 1.00 0.00 N ATOM 1370 CA LEU A 90 5.498 -12.126 -2.883 1.00 0.00 C ATOM 1371 C LEU A 90 6.514 -13.132 -3.421 1.00 0.00 C ATOM 1372 O LEU A 90 6.314 -14.345 -3.357 1.00 0.00 O ATOM 1373 CB LEU A 90 5.872 -11.761 -1.443 1.00 0.00 C ATOM 1374 CG LEU A 90 5.346 -10.412 -0.941 1.00 0.00 C ATOM 1375 CD1 LEU A 90 5.607 -10.260 0.552 1.00 0.00 C ATOM 1376 CD2 LEU A 90 5.987 -9.268 -1.717 1.00 0.00 C ATOM 0 H LEU A 90 3.998 -13.577 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 90 5.536 -11.251 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.501 -12.544 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.959 -11.761 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 90 4.269 -10.378 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.227 -9.296 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.102 -11.060 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.679 -10.314 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.602 -8.317 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.068 -9.298 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.750 -9.369 -2.776 1.00 0.00 H new ATOM 1388 N ARG A 91 7.626 -12.590 -3.914 1.00 0.00 N ATOM 1389 CA ARG A 91 8.735 -13.387 -4.437 1.00 0.00 C ATOM 1390 C ARG A 91 10.026 -12.878 -3.806 1.00 0.00 C ATOM 1391 O ARG A 91 10.157 -11.686 -3.579 1.00 0.00 O ATOM 1392 CB ARG A 91 8.808 -13.272 -5.961 1.00 0.00 C ATOM 1393 CG ARG A 91 9.422 -14.486 -6.638 1.00 0.00 C ATOM 1394 CD ARG A 91 9.655 -14.232 -8.118 1.00 0.00 C ATOM 1395 NE ARG A 91 10.829 -13.393 -8.350 1.00 0.00 N ATOM 1396 CZ ARG A 91 10.945 -12.534 -9.362 1.00 0.00 C ATOM 1397 NH1 ARG A 91 9.968 -12.405 -10.253 1.00 0.00 N ATOM 1398 NH2 ARG A 91 12.044 -11.804 -9.485 1.00 0.00 N ATOM 0 H ARG A 91 7.784 -11.583 -3.962 1.00 0.00 H new ATOM 0 HA ARG A 91 8.585 -14.438 -4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.803 -13.118 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.390 -12.388 -6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.367 -14.735 -6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.764 -15.346 -6.513 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.782 -15.184 -8.634 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.775 -13.752 -8.547 1.00 0.00 H new ATOM 0 HE ARG A 91 11.608 -13.470 -7.696 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.121 -12.966 -10.165 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.065 -11.745 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.799 -11.900 -8.806 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.135 -11.146 -10.259 1.00 0.00 H new ATOM 1412 N SER A 92 10.968 -13.756 -3.485 1.00 0.00 N ATOM 1413 CA SER A 92 12.198 -13.297 -2.840 1.00 0.00 C ATOM 1414 C SER A 92 13.403 -13.266 -3.768 1.00 0.00 C ATOM 1415 O SER A 92 13.620 -14.161 -4.584 1.00 0.00 O ATOM 1416 CB SER A 92 12.533 -14.151 -1.623 1.00 0.00 C ATOM 1417 OG SER A 92 12.299 -15.525 -1.877 1.00 0.00 O ATOM 0 H SER A 92 10.912 -14.761 -3.653 1.00 0.00 H new ATOM 0 HA SER A 92 11.992 -12.271 -2.536 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.577 -14.003 -1.349 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.931 -13.829 -0.773 1.00 0.00 H new ATOM 0 HG SER A 92 12.524 -16.048 -1.079 1.00 0.00 H new ATOM 1423 N VAL A 93 14.194 -12.216 -3.585 1.00 0.00 N ATOM 1424 CA VAL A 93 15.413 -11.988 -4.322 1.00 0.00 C ATOM 1425 C VAL A 93 16.274 -11.008 -3.512 1.00 0.00 C ATOM 1426 O VAL A 93 16.348 -11.121 -2.285 1.00 0.00 O ATOM 1427 CB VAL A 93 15.127 -11.434 -5.737 1.00 0.00 C ATOM 1428 CG1 VAL A 93 14.373 -12.457 -6.572 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.349 -10.129 -5.658 1.00 0.00 C ATOM 0 H VAL A 93 13.993 -11.486 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 93 15.941 -12.931 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 93 16.082 -11.233 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.182 -12.047 -7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.971 -13.364 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.425 -12.694 -6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.159 -9.757 -6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.400 -10.301 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.930 -9.392 -5.103 1.00 0.00 H new ATOM 1467 N ASN A 97 15.798 -9.304 -0.101 1.00 0.00 N ATOM 1468 CA ASN A 97 14.718 -8.483 -0.630 1.00 0.00 C ATOM 1469 C ASN A 97 13.730 -9.346 -1.399 1.00 0.00 C ATOM 1470 O ASN A 97 14.023 -10.495 -1.712 1.00 0.00 O ATOM 1471 CB ASN A 97 15.253 -7.382 -1.546 1.00 0.00 C ATOM 1472 CG ASN A 97 16.633 -6.890 -1.147 1.00 0.00 C ATOM 1473 OD1 ASN A 97 17.309 -6.213 -2.068 1.00 0.00 O flip ATOM 1474 ND2 ASN A 97 17.084 -7.111 -0.023 1.00 0.00 N flip ATOM 0 HA ASN A 97 14.214 -8.014 0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.289 -7.756 -2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.558 -6.542 -1.538 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.531 -7.636 0.654 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.011 -6.769 0.231 1.00 0.00 H new ATOM 1481 N SER A 98 12.559 -8.796 -1.694 1.00 0.00 N ATOM 1482 CA SER A 98 11.542 -9.537 -2.426 1.00 0.00 C ATOM 1483 C SER A 98 10.824 -8.646 -3.431 1.00 0.00 C ATOM 1484 O SER A 98 10.878 -7.423 -3.356 1.00 0.00 O ATOM 1485 CB SER A 98 10.528 -10.145 -1.454 1.00 0.00 C ATOM 1486 OG SER A 98 9.228 -10.196 -2.018 1.00 0.00 O ATOM 0 H SER A 98 12.292 -7.845 -1.439 1.00 0.00 H new ATOM 0 HA SER A 98 12.041 -10.336 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.845 -11.151 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.504 -9.556 -0.537 1.00 0.00 H new ATOM 0 HG SER A 98 9.207 -10.868 -2.731 1.00 0.00 H new ATOM 1492 N VAL A 99 10.132 -9.282 -4.355 1.00 0.00 N ATOM 1493 CA VAL A 99 9.374 -8.586 -5.371 1.00 0.00 C ATOM 1494 C VAL A 99 7.902 -8.659 -5.013 1.00 0.00 C ATOM 1495 O VAL A 99 7.473 -9.612 -4.354 1.00 0.00 O ATOM 1496 CB VAL A 99 9.618 -9.221 -6.755 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.334 -9.781 -7.353 1.00 0.00 C ATOM 1498 CG2 VAL A 99 10.266 -8.222 -7.701 1.00 0.00 C ATOM 0 H VAL A 99 10.080 -10.299 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 99 9.693 -7.545 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 99 10.304 -10.057 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.548 -10.220 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.928 -10.547 -6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.606 -8.978 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.429 -8.692 -8.671 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.612 -7.358 -7.821 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.222 -7.899 -7.290 1.00 0.00 H new ATOM 1508 N LEU A 100 7.127 -7.664 -5.423 1.00 0.00 N ATOM 1509 CA LEU A 100 5.719 -7.666 -5.094 1.00 0.00 C ATOM 1510 C LEU A 100 4.835 -8.053 -6.263 1.00 0.00 C ATOM 1511 O LEU A 100 4.638 -7.288 -7.207 1.00 0.00 O ATOM 1512 CB LEU A 100 5.273 -6.323 -4.553 1.00 0.00 C ATOM 1513 CG LEU A 100 3.766 -6.056 -4.640 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.084 -6.460 -3.348 1.00 0.00 C ATOM 1515 CD2 LEU A 100 3.495 -4.600 -4.970 1.00 0.00 C ATOM 0 H LEU A 100 7.445 -6.865 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 100 5.603 -8.427 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.580 -6.249 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.798 -5.537 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 100 3.352 -6.661 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.014 -6.265 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.247 -7.523 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.500 -5.884 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.419 -4.434 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.920 -3.965 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.951 -4.353 -5.929 1.00 0.00 H new ATOM 1527 N VAL A 101 4.236 -9.216 -6.123 1.00 0.00 N ATOM 1528 CA VAL A 101 3.274 -9.716 -7.078 1.00 0.00 C ATOM 1529 C VAL A 101 2.035 -9.995 -6.252 1.00 0.00 C ATOM 1530 O VAL A 101 2.018 -10.905 -5.437 1.00 0.00 O ATOM 1531 CB VAL A 101 3.771 -10.988 -7.802 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.443 -11.937 -6.824 1.00 0.00 C ATOM 1533 CG2 VAL A 101 2.631 -11.678 -8.542 1.00 0.00 C ATOM 0 H VAL A 101 4.405 -9.844 -5.338 1.00 0.00 H new ATOM 0 HA VAL A 101 3.090 -8.999 -7.878 1.00 0.00 H new ATOM 0 HB VAL A 101 4.512 -10.687 -8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.785 -12.825 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.296 -11.440 -6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.731 -12.228 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.009 -12.570 -9.042 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.855 -11.962 -7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.213 -10.996 -9.283 1.00 0.00 H new ATOM 1543 N SER A 102 1.037 -9.151 -6.348 1.00 0.00 N ATOM 1544 CA SER A 102 -0.098 -9.326 -5.472 1.00 0.00 C ATOM 1545 C SER A 102 -1.412 -8.889 -6.043 1.00 0.00 C ATOM 1546 O SER A 102 -1.482 -8.127 -7.006 1.00 0.00 O ATOM 1547 CB SER A 102 0.145 -8.516 -4.204 1.00 0.00 C ATOM 1548 OG SER A 102 0.618 -7.216 -4.516 1.00 0.00 O ATOM 0 H SER A 102 0.984 -8.365 -6.996 1.00 0.00 H new ATOM 0 HA SER A 102 -0.175 -10.399 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.780 -8.443 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.871 -9.030 -3.573 1.00 0.00 H new ATOM 0 HG SER A 102 0.123 -6.553 -3.991 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.455 -9.340 -5.354 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.811 -8.980 -5.667 1.00 0.00 C ATOM 1556 C LEU A 103 -4.801 -9.980 -5.114 1.00 0.00 C ATOM 1557 O LEU A 103 -5.272 -9.831 -3.986 1.00 0.00 O ATOM 1558 CB LEU A 103 -4.040 -8.724 -7.166 1.00 0.00 C ATOM 1559 CG LEU A 103 -4.162 -7.240 -7.567 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.598 -6.896 -7.924 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.675 -6.317 -6.455 1.00 0.00 C ATOM 0 H LEU A 103 -2.370 -9.971 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.989 -8.028 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.216 -9.168 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.949 -9.243 -7.472 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.528 -7.089 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.661 -5.844 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.923 -7.514 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.241 -7.082 -7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.776 -5.279 -6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.272 -6.481 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.628 -6.530 -6.238 1.00 0.00 H new ATOM 1573 N ARG A 104 -5.142 -10.979 -5.900 1.00 0.00 N ATOM 1574 CA ARG A 104 -6.112 -11.967 -5.452 1.00 0.00 C ATOM 1575 C ARG A 104 -7.412 -11.249 -5.073 1.00 0.00 C ATOM 1576 O ARG A 104 -8.207 -11.748 -4.276 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.543 -12.723 -4.246 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.937 -14.073 -4.597 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.673 -13.919 -5.432 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.486 -14.396 -4.723 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.256 -15.676 -4.438 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -3.129 -16.609 -4.795 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.150 -16.023 -3.794 1.00 0.00 N ATOM 0 H ARG A 104 -4.772 -11.132 -6.838 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.320 -12.683 -6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.781 -12.106 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.337 -12.871 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.705 -14.618 -3.682 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.666 -14.668 -5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.785 -14.472 -6.364 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.540 -12.870 -5.698 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.793 -13.707 -4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.981 -16.347 -5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.948 -17.588 -4.574 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.476 -15.309 -3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.973 -17.004 -3.575 1.00 0.00 H new ATOM 1597 N SER A 105 -7.579 -10.050 -5.654 1.00 0.00 N ATOM 1598 CA SER A 105 -8.722 -9.161 -5.427 1.00 0.00 C ATOM 1599 C SER A 105 -8.199 -7.730 -5.326 1.00 0.00 C ATOM 1600 O SER A 105 -6.989 -7.526 -5.234 1.00 0.00 O ATOM 1601 CB SER A 105 -9.496 -9.525 -4.159 1.00 0.00 C ATOM 1602 OG SER A 105 -10.376 -10.611 -4.391 1.00 0.00 O ATOM 0 H SER A 105 -6.902 -9.665 -6.312 1.00 0.00 H new ATOM 0 HA SER A 105 -9.416 -9.265 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.796 -9.784 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.064 -8.660 -3.815 1.00 0.00 H new ATOM 0 HG SER A 105 -9.888 -11.455 -4.291 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.084 -6.737 -5.359 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.631 -5.349 -5.286 1.00 0.00 C ATOM 1610 C ASP A 106 -8.891 -4.725 -3.918 1.00 0.00 C ATOM 1611 O ASP A 106 -10.007 -4.311 -3.614 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.329 -4.520 -6.367 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.397 -4.148 -7.504 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -7.167 -4.151 -7.290 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -8.899 -3.852 -8.610 1.00 0.00 O ATOM 0 H ASP A 106 -10.094 -6.860 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.553 -5.350 -5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.174 -5.083 -6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.733 -3.612 -5.920 1.00 0.00 H new ATOM 1620 N GLN A 107 -7.839 -4.623 -3.112 1.00 0.00 N ATOM 1621 CA GLN A 107 -7.937 -4.007 -1.793 1.00 0.00 C ATOM 1622 C GLN A 107 -6.554 -3.758 -1.212 1.00 0.00 C ATOM 1623 O GLN A 107 -5.588 -4.417 -1.595 1.00 0.00 O ATOM 1624 CB GLN A 107 -8.758 -4.873 -0.851 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.106 -4.263 -0.497 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.025 -5.227 0.225 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -10.626 -6.487 0.310 1.00 0.00 O flip ATOM 1628 NE2 GLN A 107 -12.081 -4.839 0.713 1.00 0.00 N flip ATOM 0 H GLN A 107 -6.906 -4.960 -3.350 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.443 -3.048 -1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.917 -5.848 -1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.191 -5.041 0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.947 -3.385 0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.594 -3.920 -1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.354 -3.860 0.626 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.687 -5.495 1.206 1.00 0.00 H new ATOM 1637 N MET A 108 -6.457 -2.823 -0.276 1.00 0.00 N ATOM 1638 CA MET A 108 -5.175 -2.532 0.344 1.00 0.00 C ATOM 1639 C MET A 108 -5.322 -1.699 1.614 1.00 0.00 C ATOM 1640 O MET A 108 -6.176 -0.817 1.703 1.00 0.00 O ATOM 1641 CB MET A 108 -4.261 -1.811 -0.650 1.00 0.00 C ATOM 1642 CG MET A 108 -2.875 -1.509 -0.102 1.00 0.00 C ATOM 1643 SD MET A 108 -1.666 -2.775 -0.527 1.00 0.00 S ATOM 1644 CE MET A 108 -2.488 -4.250 0.068 1.00 0.00 C ATOM 0 H MET A 108 -7.238 -2.262 0.065 1.00 0.00 H new ATOM 0 HA MET A 108 -4.730 -3.485 0.628 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.162 -2.422 -1.547 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.734 -0.876 -0.952 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.538 -0.547 -0.488 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.930 -1.415 0.983 1.00 0.00 H new ATOM 0 HE1 MET A 108 -1.767 -5.064 0.140 1.00 0.00 H new ATOM 0 HE2 MET A 108 -2.916 -4.056 1.052 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.282 -4.529 -0.625 1.00 0.00 H new ATOM 1654 N THR A 109 -4.449 -1.972 2.579 1.00 0.00 N ATOM 1655 CA THR A 109 -4.427 -1.244 3.841 1.00 0.00 C ATOM 1656 C THR A 109 -3.252 -0.275 3.827 1.00 0.00 C ATOM 1657 O THR A 109 -2.347 -0.418 3.004 1.00 0.00 O ATOM 1658 CB THR A 109 -4.283 -2.212 5.019 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.597 -3.384 4.619 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.604 -2.642 5.620 1.00 0.00 C ATOM 0 H THR A 109 -3.740 -2.702 2.508 1.00 0.00 H new ATOM 0 HA THR A 109 -5.363 -0.698 3.958 1.00 0.00 H new ATOM 0 HB THR A 109 -3.726 -1.658 5.775 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.244 -4.053 4.311 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.421 -3.326 6.448 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.140 -1.766 5.985 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.203 -3.144 4.860 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.247 0.708 4.724 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.144 1.665 4.758 1.00 0.00 C ATOM 1670 C LEU A 110 -0.823 0.925 4.839 1.00 0.00 C ATOM 1671 O LEU A 110 0.002 1.035 3.943 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.263 2.636 5.924 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.608 3.339 6.050 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -3.899 3.650 7.503 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -3.608 4.607 5.227 1.00 0.00 C ATOM 0 H LEU A 110 -3.975 0.862 5.421 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.188 2.249 3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.067 2.093 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.484 3.392 5.827 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.390 2.680 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.863 4.153 7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.926 2.723 8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.118 4.299 7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.574 5.103 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.821 5.272 5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.429 4.361 4.180 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.632 0.157 5.913 1.00 0.00 N ATOM 1688 CA GLN A 111 0.603 -0.617 6.082 1.00 0.00 C ATOM 1689 C GLN A 111 1.043 -1.227 4.749 1.00 0.00 C ATOM 1690 O GLN A 111 2.103 -0.891 4.224 1.00 0.00 O ATOM 1691 CB GLN A 111 0.421 -1.729 7.121 1.00 0.00 C ATOM 1692 CG GLN A 111 1.606 -2.687 7.200 1.00 0.00 C ATOM 1693 CD GLN A 111 2.783 -2.099 7.954 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.090 -2.516 9.071 1.00 0.00 O ATOM 1695 NE2 GLN A 111 3.449 -1.124 7.346 1.00 0.00 N ATOM 0 H GLN A 111 -1.306 0.053 6.671 1.00 0.00 H new ATOM 0 HA GLN A 111 1.375 0.067 6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.263 -1.278 8.101 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.479 -2.296 6.882 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.291 -3.609 7.688 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.922 -2.952 6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 111 3.160 -0.809 6.420 1.00 0.00 H new ATOM 0 HE22 GLN A 111 4.250 -0.690 7.805 1.00 0.00 H new ATOM 1704 N ASP A 112 0.216 -2.116 4.199 1.00 0.00 N ATOM 1705 CA ASP A 112 0.527 -2.752 2.922 1.00 0.00 C ATOM 1706 C ASP A 112 0.872 -1.695 1.879 1.00 0.00 C ATOM 1707 O ASP A 112 1.970 -1.682 1.321 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.645 -3.606 2.441 1.00 0.00 C ATOM 1709 CG ASP A 112 -0.850 -4.844 3.291 1.00 0.00 C ATOM 1710 OD1 ASP A 112 -1.603 -4.765 4.283 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -0.256 -5.893 2.964 1.00 0.00 O ATOM 0 H ASP A 112 -0.668 -2.410 4.615 1.00 0.00 H new ATOM 0 HA ASP A 112 1.389 -3.404 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.555 -3.007 2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.473 -3.904 1.407 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.054 -0.785 1.630 1.00 0.00 N ATOM 1717 CA ALA A 113 0.192 0.277 0.672 1.00 0.00 C ATOM 1718 C ALA A 113 1.546 0.928 0.946 1.00 0.00 C ATOM 1719 O ALA A 113 2.296 1.239 0.029 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.919 1.314 0.735 1.00 0.00 C ATOM 0 H ALA A 113 -0.973 -0.760 2.072 1.00 0.00 H new ATOM 0 HA ALA A 113 0.207 -0.151 -0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.721 2.104 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.873 0.840 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.961 1.742 1.737 1.00 0.00 H new ATOM 1726 N LYS A 114 1.856 1.106 2.224 1.00 0.00 N ATOM 1727 CA LYS A 114 3.114 1.708 2.631 1.00 0.00 C ATOM 1728 C LYS A 114 4.274 0.751 2.397 1.00 0.00 C ATOM 1729 O LYS A 114 5.413 1.180 2.212 1.00 0.00 O ATOM 1730 CB LYS A 114 3.059 2.130 4.111 1.00 0.00 C ATOM 1731 CG LYS A 114 3.973 1.326 5.032 1.00 0.00 C ATOM 1732 CD LYS A 114 3.746 1.681 6.492 1.00 0.00 C ATOM 1733 CE LYS A 114 3.986 3.158 6.739 1.00 0.00 C ATOM 1734 NZ LYS A 114 5.287 3.614 6.175 1.00 0.00 N ATOM 0 H LYS A 114 1.248 0.840 2.998 1.00 0.00 H new ATOM 0 HA LYS A 114 3.275 2.597 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.325 3.184 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.033 2.035 4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.795 0.261 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.014 1.515 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.726 1.422 6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.413 1.091 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.176 3.736 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.967 3.354 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.516 4.557 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.036 2.944 6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.219 3.659 5.138 1.00 0.00 H new ATOM 1748 N VAL A 115 3.989 -0.548 2.422 1.00 0.00 N ATOM 1749 CA VAL A 115 5.034 -1.534 2.229 1.00 0.00 C ATOM 1750 C VAL A 115 5.540 -1.551 0.794 1.00 0.00 C ATOM 1751 O VAL A 115 6.755 -1.433 0.531 1.00 0.00 O ATOM 1752 CB VAL A 115 4.594 -2.953 2.648 1.00 0.00 C ATOM 1753 CG1 VAL A 115 4.024 -2.961 4.054 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.618 -3.600 1.690 1.00 0.00 C ATOM 0 H VAL A 115 3.056 -0.933 2.572 1.00 0.00 H new ATOM 0 HA VAL A 115 5.852 -1.230 2.883 1.00 0.00 H new ATOM 0 HB VAL A 115 5.503 -3.554 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 115 3.724 -3.975 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 115 4.782 -2.612 4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.157 -2.302 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.357 -4.594 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.717 -2.990 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.076 -3.683 0.704 1.00 0.00 H new ATOM 1764 N LEU A 116 4.615 -1.662 -0.139 1.00 0.00 N ATOM 1765 CA LEU A 116 4.982 -1.676 -1.530 1.00 0.00 C ATOM 1766 C LEU A 116 5.459 -0.306 -1.921 1.00 0.00 C ATOM 1767 O LEU A 116 6.401 -0.169 -2.682 1.00 0.00 O ATOM 1768 CB LEU A 116 3.815 -2.087 -2.410 1.00 0.00 C ATOM 1769 CG LEU A 116 3.096 -3.371 -2.012 1.00 0.00 C ATOM 1770 CD1 LEU A 116 4.066 -4.391 -1.434 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.959 -3.073 -1.044 1.00 0.00 C ATOM 0 H LEU A 116 3.615 -1.743 0.044 1.00 0.00 H new ATOM 0 HA LEU A 116 5.777 -2.408 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.088 -1.275 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.178 -2.199 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 116 2.664 -3.809 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.523 -5.295 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.824 -4.635 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.547 -3.975 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.459 -4.003 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.359 -2.601 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.244 -2.402 -1.519 1.00 0.00 H new ATOM 1783 N LEU A 117 4.807 0.710 -1.375 1.00 0.00 N ATOM 1784 CA LEU A 117 5.188 2.077 -1.655 1.00 0.00 C ATOM 1785 C LEU A 117 6.563 2.351 -1.099 1.00 0.00 C ATOM 1786 O LEU A 117 7.338 3.106 -1.669 1.00 0.00 O ATOM 1787 CB LEU A 117 4.177 3.055 -1.064 1.00 0.00 C ATOM 1788 CG LEU A 117 3.073 3.499 -2.018 1.00 0.00 C ATOM 1789 CD1 LEU A 117 1.994 2.449 -2.169 1.00 0.00 C ATOM 1790 CD2 LEU A 117 2.456 4.802 -1.546 1.00 0.00 C ATOM 0 H LEU A 117 4.016 0.610 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 117 5.204 2.216 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.717 2.594 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.711 3.939 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 117 3.535 3.646 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.230 2.809 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.432 1.531 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.542 2.249 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.670 5.104 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.031 4.664 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.223 5.575 -1.508 1.00 0.00 H new ATOM 1802 N GLU A 118 6.886 1.706 -0.005 1.00 0.00 N ATOM 1803 CA GLU A 118 8.194 1.879 0.584 1.00 0.00 C ATOM 1804 C GLU A 118 9.217 1.401 -0.412 1.00 0.00 C ATOM 1805 O GLU A 118 10.132 2.140 -0.796 1.00 0.00 O ATOM 1806 CB GLU A 118 8.318 1.108 1.900 1.00 0.00 C ATOM 1807 CG GLU A 118 9.697 1.203 2.532 1.00 0.00 C ATOM 1808 CD GLU A 118 10.012 2.597 3.039 1.00 0.00 C ATOM 1809 OE1 GLU A 118 9.119 3.223 3.648 1.00 0.00 O ATOM 1810 OE2 GLU A 118 11.151 3.062 2.828 1.00 0.00 O ATOM 0 H GLU A 118 6.270 1.063 0.492 1.00 0.00 H new ATOM 0 HA GLU A 118 8.356 2.931 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.578 1.487 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.081 0.059 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.763 0.496 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.449 0.908 1.800 1.00 0.00 H new ATOM 1817 N ALA A 119 9.033 0.174 -0.880 1.00 0.00 N ATOM 1818 CA ALA A 119 9.943 -0.350 -1.875 1.00 0.00 C ATOM 1819 C ALA A 119 9.679 0.277 -3.225 1.00 0.00 C ATOM 1820 O ALA A 119 10.517 0.215 -4.129 1.00 0.00 O ATOM 1821 CB ALA A 119 9.868 -1.855 -1.975 1.00 0.00 C ATOM 0 H ALA A 119 8.284 -0.457 -0.594 1.00 0.00 H new ATOM 0 HA ALA A 119 10.952 -0.090 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.568 -2.205 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 119 10.126 -2.297 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.856 -2.151 -2.251 1.00 0.00 H new ATOM 1827 N ALA A 120 8.515 0.890 -3.359 1.00 0.00 N ATOM 1828 CA ALA A 120 8.151 1.524 -4.586 1.00 0.00 C ATOM 1829 C ALA A 120 8.856 2.852 -4.692 1.00 0.00 C ATOM 1830 O ALA A 120 9.665 3.039 -5.575 1.00 0.00 O ATOM 1831 CB ALA A 120 6.649 1.663 -4.706 1.00 0.00 C ATOM 0 H ALA A 120 7.813 0.955 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 120 8.469 0.901 -5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.403 2.149 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.189 0.675 -4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.272 2.265 -3.879 1.00 0.00 H new ATOM 1837 N LEU A 121 8.603 3.773 -3.773 1.00 0.00 N ATOM 1838 CA LEU A 121 9.305 5.035 -3.842 1.00 0.00 C ATOM 1839 C LEU A 121 10.805 4.764 -3.823 1.00 0.00 C ATOM 1840 O LEU A 121 11.590 5.460 -4.466 1.00 0.00 O ATOM 1841 CB LEU A 121 8.914 6.003 -2.725 1.00 0.00 C ATOM 1842 CG LEU A 121 9.579 5.762 -1.376 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.424 6.959 -0.960 1.00 0.00 C ATOM 1844 CD2 LEU A 121 8.520 5.482 -0.346 1.00 0.00 C ATOM 0 H LEU A 121 7.943 3.674 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 121 9.020 5.526 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 121 9.150 7.017 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 121 7.833 5.955 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 121 10.244 4.902 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.887 6.759 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.200 7.133 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.790 7.843 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 121 8.991 5.309 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 121 7.847 6.336 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 121 7.954 4.598 -0.638 1.00 0.00 H new ATOM 1856 N ARG A 122 11.180 3.723 -3.072 1.00 0.00 N ATOM 1857 CA ARG A 122 12.570 3.309 -2.935 1.00 0.00 C ATOM 1858 C ARG A 122 13.232 3.044 -4.291 1.00 0.00 C ATOM 1859 O ARG A 122 14.183 3.729 -4.667 1.00 0.00 O ATOM 1860 CB ARG A 122 12.632 2.051 -2.058 1.00 0.00 C ATOM 1861 CG ARG A 122 13.940 1.280 -2.151 1.00 0.00 C ATOM 1862 CD ARG A 122 13.983 0.131 -1.156 1.00 0.00 C ATOM 1863 NE ARG A 122 15.263 0.059 -0.454 1.00 0.00 N ATOM 1864 CZ ARG A 122 15.471 0.530 0.775 1.00 0.00 C ATOM 1865 NH1 ARG A 122 14.492 1.127 1.446 1.00 0.00 N ATOM 1866 NH2 ARG A 122 16.666 0.408 1.335 1.00 0.00 N ATOM 0 H ARG A 122 10.524 3.147 -2.544 1.00 0.00 H new ATOM 0 HA ARG A 122 13.123 4.123 -2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 122 12.468 2.339 -1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 122 11.813 1.388 -2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 122 14.063 0.892 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 122 14.775 1.955 -1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 122 13.178 0.250 -0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 122 13.804 -0.808 -1.679 1.00 0.00 H new ATOM 0 HE ARG A 122 16.047 -0.380 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 122 13.570 1.228 1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 122 14.662 1.484 2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 122 17.424 -0.046 0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 122 16.828 0.768 2.276 1.00 0.00 H new ATOM 1880 N GLN A 123 12.755 2.026 -5.003 1.00 0.00 N ATOM 1881 CA GLN A 123 13.345 1.661 -6.291 1.00 0.00 C ATOM 1882 C GLN A 123 12.617 2.271 -7.498 1.00 0.00 C ATOM 1883 O GLN A 123 13.115 2.212 -8.623 1.00 0.00 O ATOM 1884 CB GLN A 123 13.368 0.136 -6.429 1.00 0.00 C ATOM 1885 CG GLN A 123 14.765 -0.459 -6.357 1.00 0.00 C ATOM 1886 CD GLN A 123 15.266 -0.936 -7.706 1.00 0.00 C ATOM 1887 OE1 GLN A 123 15.844 -0.168 -8.475 1.00 0.00 O ATOM 1888 NE2 GLN A 123 15.044 -2.212 -8.002 1.00 0.00 N ATOM 0 H GLN A 123 11.969 1.443 -4.715 1.00 0.00 H new ATOM 0 HA GLN A 123 14.355 2.070 -6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.755 -0.301 -5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.912 -0.142 -7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 123 15.454 0.287 -5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 123 14.764 -1.295 -5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 123 14.561 -2.814 -7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 123 15.357 -2.590 -8.896 1.00 0.00 H new ATOM 1897 N GLU A 124 11.427 2.805 -7.272 1.00 0.00 N ATOM 1898 CA GLU A 124 10.606 3.370 -8.346 1.00 0.00 C ATOM 1899 C GLU A 124 10.711 4.874 -8.485 1.00 0.00 C ATOM 1900 O GLU A 124 11.166 5.400 -9.500 1.00 0.00 O ATOM 1901 CB GLU A 124 9.145 3.064 -8.063 1.00 0.00 C ATOM 1902 CG GLU A 124 8.876 1.605 -7.741 1.00 0.00 C ATOM 1903 CD GLU A 124 8.949 0.715 -8.967 1.00 0.00 C ATOM 1904 OE1 GLU A 124 9.924 0.844 -9.736 1.00 0.00 O ATOM 1905 OE2 GLU A 124 8.031 -0.110 -9.158 1.00 0.00 O ATOM 0 H GLU A 124 11.000 2.862 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 124 10.975 2.918 -9.267 1.00 0.00 H new ATOM 0 HB2 GLU A 124 8.810 3.679 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 124 8.549 3.351 -8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.600 1.260 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.889 1.513 -7.288 1.00 0.00 H new ATOM 1912 N SER A 125 10.207 5.553 -7.463 1.00 0.00 N ATOM 1913 CA SER A 125 10.145 6.994 -7.442 1.00 0.00 C ATOM 1914 C SER A 125 11.443 7.630 -7.841 1.00 0.00 C ATOM 1915 O SER A 125 11.489 8.437 -8.771 1.00 0.00 O ATOM 1916 CB SER A 125 9.756 7.484 -6.048 1.00 0.00 C ATOM 1917 OG SER A 125 9.417 8.860 -6.066 1.00 0.00 O ATOM 0 H SER A 125 9.830 5.110 -6.625 1.00 0.00 H new ATOM 0 HA SER A 125 9.390 7.287 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.911 6.903 -5.678 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.583 7.319 -5.357 1.00 0.00 H new ATOM 0 HG SER A 125 9.482 9.225 -5.159 1.00 0.00 H new