USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 740 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 43 ASN : amide:sc= -1.6! C(o=-1.2!,f=-8.6!) USER MOD Set 1.2: A 58 THR OG1 : rot -9:sc= 0.388 USER MOD Set 2.1: A 7 SER OG : rot 57:sc= -0.466 USER MOD Set 2.2: A 23 CYS SG : rot 151:sc= -0.34 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -110:sc= 0.726 USER MOD Single : A 9 ASN : amide:sc= 1.07 K(o=1.1,f=-1.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.92! C(o=-1.9!,f=-1.9!) USER MOD Single : A 18 THR OG1 : rot -66:sc= 1.31 USER MOD Single : A 25 ASN : amide:sc= 0.0479 K(o=0.048,f=-8.9!) USER MOD Single : A 29 ASN : amide:sc= -0.0313 K(o=-0.031,f=-4.6!) USER MOD Single : A 32 THR OG1 : rot -85:sc= 1.3 USER MOD Single : A 33 SER OG : rot 173:sc= -0.201 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc=-0.00329 F(o=-0.65,f=-0.0033) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.518 F(o=-1.7!,f=-0.52) USER MOD Single : A 56 THR OG1 : rot 100:sc= 0.0771 USER MOD Single : A 65 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.036) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.0012) USER MOD Single : A 88 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-1.7) USER MOD Single : A 93 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 95 ASN : amide:sc= -3.86! C(o=-3.9!,f=-5.8!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 99 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.4!) USER MOD Single : A 101 ASN : amide:sc= -0.369 K(o=-0.37,f=-2) USER MOD Single : A 107 GLN : amide:sc= -2.04! C(o=-2!,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -4.261 7.865 -4.879 1.00 0.00 N ATOM 30 CA TYR A 3 -5.436 7.761 -4.027 1.00 0.00 C ATOM 31 C TYR A 3 -5.325 8.764 -2.877 1.00 0.00 C ATOM 32 O TYR A 3 -6.301 9.422 -2.516 1.00 0.00 O ATOM 33 CB TYR A 3 -5.595 6.327 -3.488 1.00 0.00 C ATOM 34 CG TYR A 3 -4.656 5.958 -2.352 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.301 5.737 -2.570 1.00 0.00 C ATOM 36 CD2 TYR A 3 -5.133 5.836 -1.054 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.455 5.405 -1.529 1.00 0.00 C ATOM 38 CE2 TYR A 3 -4.296 5.508 -0.010 1.00 0.00 C ATOM 39 CZ TYR A 3 -2.956 5.292 -0.250 1.00 0.00 C ATOM 40 OH TYR A 3 -2.116 4.964 0.788 1.00 0.00 O ATOM 0 HA TYR A 3 -6.323 7.994 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.622 6.195 -3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.439 5.627 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.903 5.826 -3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.182 6.002 -0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.405 5.235 -1.717 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.688 5.420 0.992 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.627 4.926 1.623 1.00 0.00 H new ATOM 50 N ALA A 4 -4.097 8.912 -2.360 1.00 0.00 N ATOM 51 CA ALA A 4 -3.796 9.812 -1.244 1.00 0.00 C ATOM 52 C ALA A 4 -4.299 11.232 -1.488 1.00 0.00 C ATOM 53 O ALA A 4 -4.576 11.963 -0.537 1.00 0.00 O ATOM 54 CB ALA A 4 -2.300 9.825 -0.975 1.00 0.00 C ATOM 0 H ALA A 4 -3.282 8.407 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.323 9.431 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.086 10.497 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.967 8.818 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.773 10.169 -1.865 1.00 0.00 H new ATOM 60 N ASP A 5 -4.415 11.611 -2.760 1.00 0.00 N ATOM 61 CA ASP A 5 -4.908 12.937 -3.138 1.00 0.00 C ATOM 62 C ASP A 5 -6.250 13.236 -2.465 1.00 0.00 C ATOM 63 O ASP A 5 -6.569 14.389 -2.175 1.00 0.00 O ATOM 64 CB ASP A 5 -5.060 13.019 -4.662 1.00 0.00 C ATOM 65 CG ASP A 5 -5.676 14.324 -5.130 1.00 0.00 C ATOM 66 OD1 ASP A 5 -6.916 14.395 -5.241 1.00 0.00 O ATOM 67 OD2 ASP A 5 -4.921 15.277 -5.411 1.00 0.00 O ATOM 0 H ASP A 5 -4.173 11.015 -3.552 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.185 13.680 -2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.081 12.900 -5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.678 12.189 -5.005 1.00 0.00 H new ATOM 72 N SER A 6 -7.025 12.189 -2.204 1.00 0.00 N ATOM 73 CA SER A 6 -8.324 12.341 -1.565 1.00 0.00 C ATOM 74 C SER A 6 -8.584 11.207 -0.568 1.00 0.00 C ATOM 75 O SER A 6 -9.729 10.788 -0.379 1.00 0.00 O ATOM 76 CB SER A 6 -9.426 12.357 -2.626 1.00 0.00 C ATOM 77 OG SER A 6 -9.198 13.364 -3.601 1.00 0.00 O ATOM 0 H SER A 6 -6.775 11.225 -2.426 1.00 0.00 H new ATOM 0 HA SER A 6 -8.327 13.285 -1.020 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.477 11.383 -3.113 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.391 12.525 -2.147 1.00 0.00 H new ATOM 0 HG SER A 6 -9.864 14.076 -3.498 1.00 0.00 H new ATOM 83 N SER A 7 -7.532 10.732 0.092 1.00 0.00 N ATOM 84 CA SER A 7 -7.672 9.637 1.044 1.00 0.00 C ATOM 85 C SER A 7 -7.337 10.059 2.465 1.00 0.00 C ATOM 86 O SER A 7 -6.548 10.976 2.689 1.00 0.00 O ATOM 87 CB SER A 7 -6.782 8.461 0.650 1.00 0.00 C ATOM 88 OG SER A 7 -7.228 7.868 -0.551 1.00 0.00 O ATOM 0 H SER A 7 -6.581 11.085 -0.014 1.00 0.00 H new ATOM 0 HA SER A 7 -8.719 9.336 1.016 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.754 8.803 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.781 7.718 1.448 1.00 0.00 H new ATOM 0 HG SER A 7 -7.252 8.544 -1.260 1.00 0.00 H new ATOM 94 N ARG A 8 -7.944 9.362 3.418 1.00 0.00 N ATOM 95 CA ARG A 8 -7.737 9.621 4.831 1.00 0.00 C ATOM 96 C ARG A 8 -7.921 8.319 5.606 1.00 0.00 C ATOM 97 O ARG A 8 -8.412 7.335 5.046 1.00 0.00 O ATOM 98 CB ARG A 8 -8.724 10.682 5.334 1.00 0.00 C ATOM 99 CG ARG A 8 -10.060 10.115 5.795 1.00 0.00 C ATOM 100 CD ARG A 8 -11.230 10.875 5.199 1.00 0.00 C ATOM 101 NE ARG A 8 -11.480 10.478 3.815 1.00 0.00 N ATOM 102 CZ ARG A 8 -12.615 9.931 3.404 1.00 0.00 C ATOM 103 NH1 ARG A 8 -13.578 9.660 4.276 1.00 0.00 N ATOM 104 NH2 ARG A 8 -12.777 9.620 2.124 1.00 0.00 N ATOM 0 H ARG A 8 -8.595 8.600 3.228 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.727 10.000 4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.267 11.226 6.161 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.903 11.404 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.126 9.065 5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.116 10.156 6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.124 10.696 5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.028 11.945 5.240 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.741 10.630 3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.445 9.873 5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.451 9.239 3.957 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.028 9.802 1.456 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.651 9.199 1.808 1.00 0.00 H new ATOM 118 N ASN A 9 -7.521 8.319 6.877 1.00 0.00 N ATOM 119 CA ASN A 9 -7.646 7.143 7.742 1.00 0.00 C ATOM 120 C ASN A 9 -6.960 5.927 7.132 1.00 0.00 C ATOM 121 O ASN A 9 -7.393 4.790 7.326 1.00 0.00 O ATOM 122 CB ASN A 9 -9.118 6.824 8.030 1.00 0.00 C ATOM 123 CG ASN A 9 -9.709 7.701 9.115 1.00 0.00 C ATOM 124 OD1 ASN A 9 -9.009 8.136 10.028 1.00 0.00 O ATOM 125 ND2 ASN A 9 -11.004 7.958 9.028 1.00 0.00 N ATOM 0 H ASN A 9 -7.103 9.129 7.336 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.149 7.381 8.682 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.697 6.947 7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.207 5.779 8.326 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.458 8.537 9.735 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.549 7.577 8.254 1.00 0.00 H new ATOM 132 N ALA A 10 -5.893 6.174 6.386 1.00 0.00 N ATOM 133 CA ALA A 10 -5.148 5.102 5.752 1.00 0.00 C ATOM 134 C ALA A 10 -4.334 4.336 6.791 1.00 0.00 C ATOM 135 O ALA A 10 -3.417 4.885 7.402 1.00 0.00 O ATOM 136 CB ALA A 10 -4.258 5.660 4.653 1.00 0.00 C ATOM 0 H ALA A 10 -5.526 7.108 6.206 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.849 4.403 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.704 4.846 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.874 6.158 3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.557 6.377 5.081 1.00 0.00 H new ATOM 142 N VAL A 11 -4.686 3.070 6.992 1.00 0.00 N ATOM 143 CA VAL A 11 -4.015 2.217 7.972 1.00 0.00 C ATOM 144 C VAL A 11 -3.889 0.794 7.430 1.00 0.00 C ATOM 145 O VAL A 11 -4.714 0.356 6.626 1.00 0.00 O ATOM 146 CB VAL A 11 -4.796 2.173 9.316 1.00 0.00 C ATOM 147 CG1 VAL A 11 -4.021 1.405 10.375 1.00 0.00 C ATOM 148 CG2 VAL A 11 -5.123 3.571 9.819 1.00 0.00 C ATOM 0 H VAL A 11 -5.440 2.607 6.484 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.027 2.640 8.153 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.734 1.652 9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.591 1.391 11.304 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.855 0.383 10.035 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.060 1.890 10.546 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.669 3.501 10.760 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.199 4.127 9.976 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.736 4.089 9.082 1.00 0.00 H new ATOM 158 N LEU A 12 -2.852 0.078 7.855 1.00 0.00 N ATOM 159 CA LEU A 12 -2.654 -1.297 7.418 1.00 0.00 C ATOM 160 C LEU A 12 -3.398 -2.251 8.345 1.00 0.00 C ATOM 161 O LEU A 12 -3.393 -2.075 9.566 1.00 0.00 O ATOM 162 CB LEU A 12 -1.168 -1.663 7.385 1.00 0.00 C ATOM 163 CG LEU A 12 -0.649 -2.118 6.020 1.00 0.00 C ATOM 164 CD1 LEU A 12 -1.061 -1.140 4.932 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.861 -2.257 6.059 1.00 0.00 C ATOM 0 H LEU A 12 -2.141 0.426 8.498 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.049 -1.387 6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.588 -0.799 7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.988 -2.457 8.110 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.089 -3.088 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.681 -1.484 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.148 -1.078 4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.650 -0.155 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.222 -2.581 5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.309 -1.295 6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.139 -2.994 6.812 1.00 0.00 H new ATOM 177 N THR A 13 -4.033 -3.247 7.758 1.00 0.00 N ATOM 178 CA THR A 13 -4.789 -4.236 8.498 1.00 0.00 C ATOM 179 C THR A 13 -4.296 -5.634 8.126 1.00 0.00 C ATOM 180 O THR A 13 -3.539 -5.782 7.157 1.00 0.00 O ATOM 181 CB THR A 13 -6.298 -4.105 8.174 1.00 0.00 C ATOM 182 OG1 THR A 13 -6.688 -2.727 8.227 1.00 0.00 O ATOM 183 CG2 THR A 13 -7.152 -4.897 9.151 1.00 0.00 C ATOM 0 H THR A 13 -4.038 -3.393 6.748 1.00 0.00 H new ATOM 0 HA THR A 13 -4.645 -4.073 9.566 1.00 0.00 H new ATOM 0 HB THR A 13 -6.456 -4.506 7.173 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.643 -2.649 8.020 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.204 -4.781 8.892 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.880 -5.951 9.100 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.985 -4.528 10.163 1.00 0.00 H new ATOM 191 N ASN A 14 -4.671 -6.634 8.931 1.00 0.00 N ATOM 192 CA ASN A 14 -4.312 -8.035 8.682 1.00 0.00 C ATOM 193 C ASN A 14 -2.836 -8.292 8.960 1.00 0.00 C ATOM 194 O ASN A 14 -2.325 -9.378 8.704 1.00 0.00 O ATOM 195 CB ASN A 14 -4.637 -8.405 7.233 1.00 0.00 C ATOM 196 CG ASN A 14 -5.194 -9.812 7.090 1.00 0.00 C ATOM 197 OD1 ASN A 14 -5.769 -10.361 8.027 1.00 0.00 O ATOM 198 ND2 ASN A 14 -5.049 -10.395 5.909 1.00 0.00 N ATOM 0 H ASN A 14 -5.231 -6.496 9.772 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.896 -8.656 9.361 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.359 -7.692 6.835 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.734 -8.315 6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.421 -11.332 5.754 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.565 -9.907 5.155 1.00 0.00 H new ATOM 205 N GLY A 15 -2.161 -7.290 9.490 1.00 0.00 N ATOM 206 CA GLY A 15 -0.750 -7.413 9.780 1.00 0.00 C ATOM 207 C GLY A 15 0.083 -6.923 8.627 1.00 0.00 C ATOM 208 O GLY A 15 1.194 -7.402 8.402 1.00 0.00 O ATOM 0 H GLY A 15 -2.568 -6.385 9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.508 -6.842 10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.508 -8.455 9.991 1.00 0.00 H new ATOM 212 N GLY A 16 -0.471 -5.982 7.879 1.00 0.00 N ATOM 213 CA GLY A 16 0.230 -5.431 6.742 1.00 0.00 C ATOM 214 C GLY A 16 -0.119 -6.151 5.462 1.00 0.00 C ATOM 215 O GLY A 16 0.616 -6.087 4.482 1.00 0.00 O ATOM 0 H GLY A 16 -1.398 -5.589 8.041 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.015 -4.374 6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.305 -5.494 6.913 1.00 0.00 H new ATOM 219 N ARG A 17 -1.257 -6.826 5.467 1.00 0.00 N ATOM 220 CA ARG A 17 -1.697 -7.580 4.308 1.00 0.00 C ATOM 221 C ARG A 17 -2.851 -6.867 3.623 1.00 0.00 C ATOM 222 O ARG A 17 -3.195 -7.180 2.488 1.00 0.00 O ATOM 223 CB ARG A 17 -2.131 -8.992 4.717 1.00 0.00 C ATOM 224 CG ARG A 17 -1.285 -9.600 5.828 1.00 0.00 C ATOM 225 CD ARG A 17 -1.555 -11.087 5.995 1.00 0.00 C ATOM 226 NE ARG A 17 -1.384 -11.829 4.745 1.00 0.00 N ATOM 227 CZ ARG A 17 -1.929 -13.024 4.514 1.00 0.00 C ATOM 228 NH1 ARG A 17 -2.610 -13.647 5.470 1.00 0.00 N ATOM 229 NH2 ARG A 17 -1.790 -13.600 3.330 1.00 0.00 N ATOM 0 H ARG A 17 -1.893 -6.866 6.263 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.861 -7.656 3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.171 -8.962 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.088 -9.642 3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.229 -9.445 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.493 -9.085 6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.882 -11.493 6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.571 -11.230 6.363 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.816 -11.409 4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.718 -13.211 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.025 -14.561 5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.265 -13.130 2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.208 -14.514 3.155 1.00 0.00 H new ATOM 243 N THR A 18 -3.435 -5.897 4.311 1.00 0.00 N ATOM 244 CA THR A 18 -4.558 -5.156 3.774 1.00 0.00 C ATOM 245 C THR A 18 -4.376 -3.653 3.965 1.00 0.00 C ATOM 246 O THR A 18 -4.060 -3.191 5.054 1.00 0.00 O ATOM 247 CB THR A 18 -5.868 -5.587 4.457 1.00 0.00 C ATOM 248 OG1 THR A 18 -6.007 -7.015 4.391 1.00 0.00 O ATOM 249 CG2 THR A 18 -7.069 -4.916 3.804 1.00 0.00 C ATOM 0 H THR A 18 -3.146 -5.607 5.245 1.00 0.00 H new ATOM 0 HA THR A 18 -4.607 -5.375 2.707 1.00 0.00 H new ATOM 0 HB THR A 18 -5.829 -5.276 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.117 -7.290 3.457 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.982 -5.237 4.305 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.971 -3.834 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.115 -5.196 2.752 1.00 0.00 H new ATOM 257 N LEU A 19 -4.543 -2.909 2.890 1.00 0.00 N ATOM 258 CA LEU A 19 -4.445 -1.465 2.929 1.00 0.00 C ATOM 259 C LEU A 19 -5.841 -0.859 2.965 1.00 0.00 C ATOM 260 O LEU A 19 -6.577 -0.917 1.977 1.00 0.00 O ATOM 261 CB LEU A 19 -3.692 -0.960 1.703 1.00 0.00 C ATOM 262 CG LEU A 19 -3.626 0.557 1.552 1.00 0.00 C ATOM 263 CD1 LEU A 19 -2.812 1.173 2.679 1.00 0.00 C ATOM 264 CD2 LEU A 19 -3.042 0.915 0.199 1.00 0.00 C ATOM 0 H LEU A 19 -4.750 -3.289 1.966 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.900 -1.167 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.674 -1.349 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.162 -1.376 0.812 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.636 0.963 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.777 2.255 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.276 0.934 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.799 0.772 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.998 1.999 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.037 0.501 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.671 0.502 -0.590 1.00 0.00 H new ATOM 276 N ARG A 20 -6.213 -0.309 4.106 1.00 0.00 N ATOM 277 CA ARG A 20 -7.522 0.302 4.266 1.00 0.00 C ATOM 278 C ARG A 20 -7.383 1.822 4.230 1.00 0.00 C ATOM 279 O ARG A 20 -6.649 2.403 5.031 1.00 0.00 O ATOM 280 CB ARG A 20 -8.132 -0.155 5.598 1.00 0.00 C ATOM 281 CG ARG A 20 -9.653 -0.053 5.685 1.00 0.00 C ATOM 282 CD ARG A 20 -10.153 1.386 5.674 1.00 0.00 C ATOM 283 NE ARG A 20 -9.463 2.227 6.655 1.00 0.00 N ATOM 284 CZ ARG A 20 -9.878 2.414 7.908 1.00 0.00 C ATOM 285 NH1 ARG A 20 -10.944 1.770 8.373 1.00 0.00 N ATOM 286 NH2 ARG A 20 -9.215 3.246 8.698 1.00 0.00 N ATOM 0 H ARG A 20 -5.626 -0.272 4.939 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.180 -0.005 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.842 -1.191 5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.697 0.440 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.097 -0.593 4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.993 -0.543 6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.015 1.807 4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.223 1.397 5.880 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.609 2.701 6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.454 1.125 7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.252 1.921 9.334 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.394 3.738 8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.526 3.395 9.658 1.00 0.00 H new ATOM 300 N ALA A 21 -8.102 2.463 3.317 1.00 0.00 N ATOM 301 CA ALA A 21 -8.057 3.912 3.185 1.00 0.00 C ATOM 302 C ALA A 21 -9.408 4.456 2.749 1.00 0.00 C ATOM 303 O ALA A 21 -10.178 3.774 2.083 1.00 0.00 O ATOM 304 CB ALA A 21 -6.989 4.320 2.184 1.00 0.00 C ATOM 0 H ALA A 21 -8.725 2.000 2.655 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.810 4.333 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.968 5.406 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.016 3.965 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.215 3.882 1.212 1.00 0.00 H new ATOM 310 N GLU A 22 -9.705 5.678 3.139 1.00 0.00 N ATOM 311 CA GLU A 22 -10.962 6.298 2.767 1.00 0.00 C ATOM 312 C GLU A 22 -10.715 7.355 1.704 1.00 0.00 C ATOM 313 O GLU A 22 -10.068 8.364 1.973 1.00 0.00 O ATOM 314 CB GLU A 22 -11.624 6.921 3.985 1.00 0.00 C ATOM 315 CG GLU A 22 -11.644 6.014 5.196 1.00 0.00 C ATOM 316 CD GLU A 22 -12.811 6.316 6.105 1.00 0.00 C ATOM 317 OE1 GLU A 22 -13.946 5.921 5.764 1.00 0.00 O ATOM 318 OE2 GLU A 22 -12.605 6.958 7.154 1.00 0.00 O ATOM 0 H GLU A 22 -9.096 6.261 3.712 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.629 5.536 2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.101 7.842 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.648 7.196 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.696 4.975 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.713 6.128 5.751 1.00 0.00 H new ATOM 325 N CYS A 23 -11.232 7.135 0.508 1.00 0.00 N ATOM 326 CA CYS A 23 -11.029 8.069 -0.589 1.00 0.00 C ATOM 327 C CYS A 23 -12.344 8.426 -1.276 1.00 0.00 C ATOM 328 O CYS A 23 -13.272 7.626 -1.331 1.00 0.00 O ATOM 329 CB CYS A 23 -10.055 7.467 -1.597 1.00 0.00 C ATOM 330 SG CYS A 23 -9.388 8.648 -2.795 1.00 0.00 S ATOM 0 H CYS A 23 -11.795 6.319 0.270 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.613 8.990 -0.180 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.226 7.012 -1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.560 6.667 -2.138 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.203 8.265 -3.168 1.00 0.00 H new ATOM 336 N ARG A 24 -12.415 9.649 -1.773 1.00 0.00 N ATOM 337 CA ARG A 24 -13.595 10.140 -2.469 1.00 0.00 C ATOM 338 C ARG A 24 -13.628 9.580 -3.895 1.00 0.00 C ATOM 339 O ARG A 24 -12.587 9.396 -4.521 1.00 0.00 O ATOM 340 CB ARG A 24 -13.614 11.684 -2.457 1.00 0.00 C ATOM 341 CG ARG A 24 -13.647 12.337 -3.832 1.00 0.00 C ATOM 342 CD ARG A 24 -12.269 12.379 -4.469 1.00 0.00 C ATOM 343 NE ARG A 24 -12.333 12.190 -5.914 1.00 0.00 N ATOM 344 CZ ARG A 24 -11.330 12.478 -6.746 1.00 0.00 C ATOM 345 NH1 ARG A 24 -10.182 12.956 -6.270 1.00 0.00 N ATOM 346 NH2 ARG A 24 -11.468 12.275 -8.051 1.00 0.00 N ATOM 0 H ARG A 24 -11.658 10.330 -1.706 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.493 9.797 -1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.484 12.017 -1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.732 12.039 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.330 11.787 -4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.038 13.351 -3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.796 13.336 -4.248 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.641 11.604 -4.029 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.195 11.816 -6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.067 13.103 -5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.417 13.175 -6.908 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.342 11.898 -8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.700 12.496 -8.685 1.00 0.00 H new ATOM 360 N ASN A 25 -14.821 9.296 -4.394 1.00 0.00 N ATOM 361 CA ASN A 25 -14.978 8.743 -5.736 1.00 0.00 C ATOM 362 C ASN A 25 -15.073 9.841 -6.789 1.00 0.00 C ATOM 363 O ASN A 25 -14.822 11.012 -6.503 1.00 0.00 O ATOM 364 CB ASN A 25 -16.215 7.850 -5.807 1.00 0.00 C ATOM 365 CG ASN A 25 -17.528 8.613 -5.794 1.00 0.00 C ATOM 366 OD1 ASN A 25 -17.632 9.696 -5.224 1.00 0.00 O ATOM 367 ND2 ASN A 25 -18.538 8.051 -6.439 1.00 0.00 N ATOM 0 H ASN A 25 -15.697 9.438 -3.892 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.091 8.146 -5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -16.165 7.249 -6.715 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -16.200 7.158 -4.965 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.444 8.519 -6.475 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.411 7.150 -6.900 1.00 0.00 H new ATOM 374 N ALA A 26 -15.449 9.459 -8.001 1.00 0.00 N ATOM 375 CA ALA A 26 -15.579 10.403 -9.103 1.00 0.00 C ATOM 376 C ALA A 26 -16.647 11.456 -8.809 1.00 0.00 C ATOM 377 O ALA A 26 -16.515 12.617 -9.197 1.00 0.00 O ATOM 378 CB ALA A 26 -15.902 9.656 -10.386 1.00 0.00 C ATOM 0 H ALA A 26 -15.671 8.495 -8.248 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.629 10.924 -9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.998 10.367 -11.207 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.101 8.951 -10.608 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.839 9.113 -10.265 1.00 0.00 H new ATOM 384 N ASP A 27 -17.688 11.044 -8.097 1.00 0.00 N ATOM 385 CA ASP A 27 -18.787 11.940 -7.744 1.00 0.00 C ATOM 386 C ASP A 27 -18.353 12.955 -6.695 1.00 0.00 C ATOM 387 O ASP A 27 -18.921 14.040 -6.591 1.00 0.00 O ATOM 388 CB ASP A 27 -19.966 11.128 -7.208 1.00 0.00 C ATOM 389 CG ASP A 27 -21.152 11.992 -6.828 1.00 0.00 C ATOM 390 OD1 ASP A 27 -21.910 12.397 -7.732 1.00 0.00 O ATOM 391 OD2 ASP A 27 -21.341 12.265 -5.622 1.00 0.00 O ATOM 0 H ASP A 27 -17.796 10.091 -7.750 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.087 12.478 -8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -20.276 10.405 -7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.643 10.559 -6.336 1.00 0.00 H new ATOM 396 N GLY A 28 -17.332 12.604 -5.933 1.00 0.00 N ATOM 397 CA GLY A 28 -16.851 13.484 -4.892 1.00 0.00 C ATOM 398 C GLY A 28 -17.298 13.009 -3.529 1.00 0.00 C ATOM 399 O GLY A 28 -17.074 13.676 -2.519 1.00 0.00 O ATOM 0 H GLY A 28 -16.826 11.722 -6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.763 13.531 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.219 14.495 -5.067 1.00 0.00 H new ATOM 403 N ASN A 29 -17.926 11.842 -3.508 1.00 0.00 N ATOM 404 CA ASN A 29 -18.419 11.251 -2.275 1.00 0.00 C ATOM 405 C ASN A 29 -17.310 10.445 -1.622 1.00 0.00 C ATOM 406 O ASN A 29 -16.501 9.829 -2.311 1.00 0.00 O ATOM 407 CB ASN A 29 -19.602 10.330 -2.572 1.00 0.00 C ATOM 408 CG ASN A 29 -20.560 10.197 -1.404 1.00 0.00 C ATOM 409 OD1 ASN A 29 -20.169 10.301 -0.240 1.00 0.00 O ATOM 410 ND2 ASN A 29 -21.826 9.968 -1.712 1.00 0.00 N ATOM 0 H ASN A 29 -18.107 11.282 -4.341 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.743 12.047 -1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -20.144 10.712 -3.437 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.227 9.342 -2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -22.521 9.871 -0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -22.107 9.889 -2.689 1.00 0.00 H new ATOM 417 N TRP A 30 -17.275 10.451 -0.307 1.00 0.00 N ATOM 418 CA TRP A 30 -16.260 9.718 0.433 1.00 0.00 C ATOM 419 C TRP A 30 -16.593 8.231 0.465 1.00 0.00 C ATOM 420 O TRP A 30 -17.692 7.844 0.859 1.00 0.00 O ATOM 421 CB TRP A 30 -16.129 10.273 1.852 1.00 0.00 C ATOM 422 CG TRP A 30 -15.380 11.573 1.914 1.00 0.00 C ATOM 423 CD1 TRP A 30 -14.739 12.202 0.884 1.00 0.00 C ATOM 424 CD2 TRP A 30 -15.176 12.393 3.070 1.00 0.00 C ATOM 425 NE1 TRP A 30 -14.149 13.359 1.330 1.00 0.00 N ATOM 426 CE2 TRP A 30 -14.407 13.501 2.667 1.00 0.00 C ATOM 427 CE3 TRP A 30 -15.576 12.302 4.408 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -14.022 14.504 3.553 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -15.194 13.299 5.285 1.00 0.00 C ATOM 430 CH2 TRP A 30 -14.427 14.388 4.854 1.00 0.00 C ATOM 0 H TRP A 30 -17.940 10.957 0.278 1.00 0.00 H new ATOM 0 HA TRP A 30 -15.303 9.843 -0.074 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -17.125 10.415 2.273 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -15.621 9.538 2.477 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -14.702 11.841 -0.133 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -13.607 14.007 0.758 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -16.172 11.468 4.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -13.426 15.342 3.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -15.492 13.237 6.321 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -14.149 15.153 5.564 1.00 0.00 H new ATOM 441 N VAL A 31 -15.649 7.406 0.026 1.00 0.00 N ATOM 442 CA VAL A 31 -15.844 5.964 -0.008 1.00 0.00 C ATOM 443 C VAL A 31 -14.693 5.243 0.689 1.00 0.00 C ATOM 444 O VAL A 31 -13.523 5.536 0.441 1.00 0.00 O ATOM 445 CB VAL A 31 -15.923 5.447 -1.462 1.00 0.00 C ATOM 446 CG1 VAL A 31 -16.554 4.065 -1.514 1.00 0.00 C ATOM 447 CG2 VAL A 31 -16.672 6.425 -2.353 1.00 0.00 C ATOM 0 H VAL A 31 -14.738 7.715 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 31 -16.781 5.758 0.509 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.905 5.365 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.598 3.724 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.954 3.369 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.563 4.110 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.711 6.034 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -17.686 6.558 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.156 7.385 -2.353 1.00 0.00 H new ATOM 457 N THR A 32 -15.019 4.312 1.567 1.00 0.00 N ATOM 458 CA THR A 32 -14.001 3.544 2.260 1.00 0.00 C ATOM 459 C THR A 32 -13.560 2.379 1.370 1.00 0.00 C ATOM 460 O THR A 32 -14.327 1.443 1.137 1.00 0.00 O ATOM 461 CB THR A 32 -14.534 3.007 3.600 1.00 0.00 C ATOM 462 OG1 THR A 32 -15.192 4.060 4.324 1.00 0.00 O ATOM 463 CG2 THR A 32 -13.401 2.443 4.444 1.00 0.00 C ATOM 0 H THR A 32 -15.978 4.070 1.817 1.00 0.00 H new ATOM 0 HA THR A 32 -13.151 4.194 2.470 1.00 0.00 H new ATOM 0 HB THR A 32 -15.245 2.209 3.389 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.530 4.567 4.839 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.801 2.069 5.387 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.918 1.628 3.906 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.672 3.228 4.645 1.00 0.00 H new ATOM 471 N SER A 33 -12.338 2.446 0.861 1.00 0.00 N ATOM 472 CA SER A 33 -11.820 1.412 -0.020 1.00 0.00 C ATOM 473 C SER A 33 -10.700 0.613 0.646 1.00 0.00 C ATOM 474 O SER A 33 -9.899 1.150 1.414 1.00 0.00 O ATOM 475 CB SER A 33 -11.339 2.047 -1.326 1.00 0.00 C ATOM 476 OG SER A 33 -10.701 3.291 -1.083 1.00 0.00 O ATOM 0 H SER A 33 -11.686 3.209 1.044 1.00 0.00 H new ATOM 0 HA SER A 33 -12.624 0.709 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.647 1.372 -1.829 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.186 2.194 -1.997 1.00 0.00 H new ATOM 0 HG SER A 33 -10.303 3.623 -1.915 1.00 0.00 H new ATOM 482 N GLU A 34 -10.665 -0.683 0.365 1.00 0.00 N ATOM 483 CA GLU A 34 -9.659 -1.565 0.937 1.00 0.00 C ATOM 484 C GLU A 34 -9.005 -2.411 -0.148 1.00 0.00 C ATOM 485 O GLU A 34 -9.694 -2.979 -0.995 1.00 0.00 O ATOM 486 CB GLU A 34 -10.314 -2.485 1.967 1.00 0.00 C ATOM 487 CG GLU A 34 -11.430 -1.813 2.749 1.00 0.00 C ATOM 488 CD GLU A 34 -12.106 -2.743 3.731 1.00 0.00 C ATOM 489 OE1 GLU A 34 -11.596 -2.895 4.858 1.00 0.00 O ATOM 490 OE2 GLU A 34 -13.153 -3.326 3.376 1.00 0.00 O ATOM 0 H GLU A 34 -11.325 -1.147 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.893 -0.954 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.713 -3.362 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.554 -2.839 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.024 -0.957 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.174 -1.427 2.052 1.00 0.00 H new ATOM 497 N LEU A 35 -7.683 -2.485 -0.127 1.00 0.00 N ATOM 498 CA LEU A 35 -6.948 -3.283 -1.101 1.00 0.00 C ATOM 499 C LEU A 35 -5.936 -4.155 -0.378 1.00 0.00 C ATOM 500 O LEU A 35 -5.053 -3.655 0.317 1.00 0.00 O ATOM 501 CB LEU A 35 -6.227 -2.383 -2.126 1.00 0.00 C ATOM 502 CG LEU A 35 -5.991 -2.986 -3.524 1.00 0.00 C ATOM 503 CD1 LEU A 35 -5.120 -2.057 -4.351 1.00 0.00 C ATOM 504 CD2 LEU A 35 -5.355 -4.369 -3.452 1.00 0.00 C ATOM 0 H LEU A 35 -7.096 -2.003 0.553 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.657 -3.910 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.806 -1.467 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.261 -2.098 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.965 -3.097 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.959 -2.492 -5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.615 -1.092 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.160 -1.920 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.207 -4.755 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.392 -4.301 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.010 -5.042 -2.898 1.00 0.00 H new ATOM 516 N ASP A 36 -6.084 -5.455 -0.526 1.00 0.00 N ATOM 517 CA ASP A 36 -5.176 -6.398 0.088 1.00 0.00 C ATOM 518 C ASP A 36 -3.811 -6.312 -0.573 1.00 0.00 C ATOM 519 O ASP A 36 -3.629 -6.723 -1.713 1.00 0.00 O ATOM 520 CB ASP A 36 -5.737 -7.809 -0.031 1.00 0.00 C ATOM 521 CG ASP A 36 -6.783 -8.106 1.021 1.00 0.00 C ATOM 522 OD1 ASP A 36 -6.408 -8.389 2.176 1.00 0.00 O ATOM 523 OD2 ASP A 36 -7.989 -8.042 0.701 1.00 0.00 O ATOM 0 H ASP A 36 -6.832 -5.884 -1.071 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.066 -6.153 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.174 -7.941 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.923 -8.529 0.057 1.00 0.00 H new ATOM 528 N LEU A 37 -2.853 -5.763 0.152 1.00 0.00 N ATOM 529 CA LEU A 37 -1.501 -5.605 -0.354 1.00 0.00 C ATOM 530 C LEU A 37 -0.903 -6.933 -0.724 1.00 0.00 C ATOM 531 O LEU A 37 -0.336 -7.096 -1.789 1.00 0.00 O ATOM 532 CB LEU A 37 -0.613 -4.989 0.696 1.00 0.00 C ATOM 533 CG LEU A 37 -1.022 -3.616 1.147 1.00 0.00 C ATOM 534 CD1 LEU A 37 0.037 -3.085 2.066 1.00 0.00 C ATOM 535 CD2 LEU A 37 -1.260 -2.704 -0.046 1.00 0.00 C ATOM 0 H LEU A 37 -2.988 -5.416 1.102 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.563 -4.963 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.590 -5.648 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.404 -4.939 0.307 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.966 -3.662 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.242 -2.087 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.136 -3.746 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.988 -3.035 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.555 -1.715 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.344 -2.623 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.052 -3.119 -0.669 1.00 0.00 H new ATOM 547 N ASP A 38 -1.054 -7.890 0.166 1.00 0.00 N ATOM 548 CA ASP A 38 -0.519 -9.230 -0.051 1.00 0.00 C ATOM 549 C ASP A 38 -1.170 -9.884 -1.263 1.00 0.00 C ATOM 550 O ASP A 38 -0.785 -10.968 -1.666 1.00 0.00 O ATOM 551 CB ASP A 38 -0.667 -10.109 1.199 1.00 0.00 C ATOM 552 CG ASP A 38 -1.774 -11.143 1.101 1.00 0.00 C ATOM 553 OD1 ASP A 38 -2.958 -10.762 1.170 1.00 0.00 O ATOM 554 OD2 ASP A 38 -1.453 -12.348 0.980 1.00 0.00 O ATOM 0 H ASP A 38 -1.544 -7.771 1.053 1.00 0.00 H new ATOM 0 HA ASP A 38 0.548 -9.130 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.278 -10.620 1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.858 -9.469 2.060 1.00 0.00 H new ATOM 559 N THR A 39 -2.148 -9.220 -1.849 1.00 0.00 N ATOM 560 CA THR A 39 -2.823 -9.770 -3.007 1.00 0.00 C ATOM 561 C THR A 39 -2.255 -9.178 -4.303 1.00 0.00 C ATOM 562 O THR A 39 -2.472 -9.714 -5.387 1.00 0.00 O ATOM 563 CB THR A 39 -4.352 -9.551 -2.915 1.00 0.00 C ATOM 564 OG1 THR A 39 -5.044 -10.752 -3.271 1.00 0.00 O ATOM 565 CG2 THR A 39 -4.826 -8.411 -3.800 1.00 0.00 C ATOM 0 H THR A 39 -2.490 -8.308 -1.546 1.00 0.00 H new ATOM 0 HA THR A 39 -2.643 -10.845 -3.023 1.00 0.00 H new ATOM 0 HB THR A 39 -4.575 -9.284 -1.882 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.011 -10.604 -3.208 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.905 -8.297 -3.700 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.334 -7.487 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.579 -8.630 -4.839 1.00 0.00 H new ATOM 573 N ILE A 40 -1.487 -8.094 -4.178 1.00 0.00 N ATOM 574 CA ILE A 40 -0.902 -7.429 -5.347 1.00 0.00 C ATOM 575 C ILE A 40 0.494 -6.881 -5.055 1.00 0.00 C ATOM 576 O ILE A 40 1.035 -6.098 -5.824 1.00 0.00 O ATOM 577 CB ILE A 40 -1.806 -6.278 -5.856 1.00 0.00 C ATOM 578 CG1 ILE A 40 -2.238 -5.362 -4.704 1.00 0.00 C ATOM 579 CG2 ILE A 40 -3.025 -6.828 -6.581 1.00 0.00 C ATOM 580 CD1 ILE A 40 -1.283 -4.227 -4.418 1.00 0.00 C ATOM 0 H ILE A 40 -1.256 -7.659 -3.285 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.821 -8.191 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.222 -5.685 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.219 -4.946 -4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.351 -5.962 -3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.645 -6.002 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.702 -7.424 -7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.603 -7.453 -5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.665 -3.630 -3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.306 -4.631 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.188 -3.600 -5.304 1.00 0.00 H new ATOM 592 N ILE A 41 1.069 -7.286 -3.941 1.00 0.00 N ATOM 593 CA ILE A 41 2.397 -6.829 -3.551 1.00 0.00 C ATOM 594 C ILE A 41 3.288 -8.024 -3.270 1.00 0.00 C ATOM 595 O ILE A 41 2.890 -8.936 -2.549 1.00 0.00 O ATOM 596 CB ILE A 41 2.336 -5.919 -2.307 1.00 0.00 C ATOM 597 CG1 ILE A 41 1.540 -4.650 -2.621 1.00 0.00 C ATOM 598 CG2 ILE A 41 3.727 -5.568 -1.800 1.00 0.00 C ATOM 599 CD1 ILE A 41 1.936 -3.463 -1.776 1.00 0.00 C ATOM 0 H ILE A 41 0.638 -7.935 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 41 2.810 -6.247 -4.375 1.00 0.00 H new ATOM 0 HB ILE A 41 1.829 -6.468 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.675 -4.398 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.479 -4.851 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.643 -4.926 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.258 -6.481 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.278 -5.045 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.330 -2.600 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.775 -3.696 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.989 -3.235 -1.940 1.00 0.00 H new ATOM 611 N GLY A 42 4.475 -8.026 -3.848 1.00 0.00 N ATOM 612 CA GLY A 42 5.385 -9.135 -3.658 1.00 0.00 C ATOM 613 C GLY A 42 6.739 -8.701 -3.142 1.00 0.00 C ATOM 614 O GLY A 42 7.074 -7.520 -3.179 1.00 0.00 O ATOM 0 H GLY A 42 4.827 -7.279 -4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.945 -9.844 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.513 -9.660 -4.605 1.00 0.00 H new ATOM 618 N ASN A 43 7.491 -9.653 -2.621 1.00 0.00 N ATOM 619 CA ASN A 43 8.821 -9.389 -2.096 1.00 0.00 C ATOM 620 C ASN A 43 9.879 -10.079 -2.958 1.00 0.00 C ATOM 621 O ASN A 43 10.009 -11.303 -2.948 1.00 0.00 O ATOM 622 CB ASN A 43 8.916 -9.845 -0.633 1.00 0.00 C ATOM 623 CG ASN A 43 10.342 -9.962 -0.129 1.00 0.00 C ATOM 624 OD1 ASN A 43 11.252 -9.264 -0.587 1.00 0.00 O ATOM 625 ND2 ASN A 43 10.538 -10.837 0.839 1.00 0.00 N ATOM 0 H ASN A 43 7.200 -10.628 -2.549 1.00 0.00 H new ATOM 0 HA ASN A 43 9.007 -8.315 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.373 -9.139 -0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.421 -10.811 -0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.469 -10.956 1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.758 -11.394 1.189 1.00 0.00 H new ATOM 632 N ASN A 44 10.629 -9.286 -3.705 1.00 0.00 N ATOM 633 CA ASN A 44 11.675 -9.813 -4.566 1.00 0.00 C ATOM 634 C ASN A 44 13.042 -9.620 -3.917 1.00 0.00 C ATOM 635 O ASN A 44 13.737 -8.644 -4.197 1.00 0.00 O ATOM 636 CB ASN A 44 11.631 -9.122 -5.936 1.00 0.00 C ATOM 637 CG ASN A 44 12.680 -9.637 -6.912 1.00 0.00 C ATOM 638 OD1 ASN A 44 13.035 -10.910 -6.812 1.00 0.00 O flip ATOM 639 ND2 ASN A 44 13.160 -8.890 -7.765 1.00 0.00 N flip ATOM 0 H ASN A 44 10.532 -8.271 -3.732 1.00 0.00 H new ATOM 0 HA ASN A 44 11.507 -10.881 -4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.642 -9.261 -6.372 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.771 -8.050 -5.798 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.864 -7.915 -7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.853 -9.246 -8.423 1.00 0.00 H new ATOM 646 N ASP A 45 13.397 -10.546 -3.025 1.00 0.00 N ATOM 647 CA ASP A 45 14.687 -10.524 -2.318 1.00 0.00 C ATOM 648 C ASP A 45 14.987 -9.158 -1.714 1.00 0.00 C ATOM 649 O ASP A 45 16.015 -8.548 -2.014 1.00 0.00 O ATOM 650 CB ASP A 45 15.829 -10.933 -3.254 1.00 0.00 C ATOM 651 CG ASP A 45 15.893 -12.427 -3.479 1.00 0.00 C ATOM 652 OD1 ASP A 45 15.133 -12.941 -4.330 1.00 0.00 O ATOM 653 OD2 ASP A 45 16.696 -13.099 -2.799 1.00 0.00 O ATOM 0 H ASP A 45 12.802 -11.334 -2.769 1.00 0.00 H new ATOM 0 HA ASP A 45 14.610 -11.244 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.705 -10.430 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.776 -10.592 -2.836 1.00 0.00 H new ATOM 658 N GLY A 46 14.092 -8.675 -0.867 1.00 0.00 N ATOM 659 CA GLY A 46 14.300 -7.388 -0.252 1.00 0.00 C ATOM 660 C GLY A 46 13.993 -6.255 -1.207 1.00 0.00 C ATOM 661 O GLY A 46 14.732 -5.277 -1.282 1.00 0.00 O ATOM 0 H GLY A 46 13.231 -9.150 -0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.668 -7.301 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.333 -7.309 0.086 1.00 0.00 H new ATOM 665 N HIS A 47 12.914 -6.399 -1.957 1.00 0.00 N ATOM 666 CA HIS A 47 12.498 -5.379 -2.907 1.00 0.00 C ATOM 667 C HIS A 47 11.024 -5.555 -3.235 1.00 0.00 C ATOM 668 O HIS A 47 10.636 -6.555 -3.832 1.00 0.00 O ATOM 669 CB HIS A 47 13.342 -5.456 -4.186 1.00 0.00 C ATOM 670 CG HIS A 47 12.983 -4.428 -5.218 1.00 0.00 C ATOM 671 ND1 HIS A 47 12.563 -4.751 -6.492 1.00 0.00 N ATOM 672 CD2 HIS A 47 12.991 -3.076 -5.161 1.00 0.00 C ATOM 673 CE1 HIS A 47 12.328 -3.643 -7.168 1.00 0.00 C ATOM 674 NE2 HIS A 47 12.579 -2.614 -6.386 1.00 0.00 N ATOM 0 H HIS A 47 12.306 -7.217 -1.927 1.00 0.00 H new ATOM 0 HA HIS A 47 12.649 -4.397 -2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 47 14.393 -5.339 -3.923 1.00 0.00 H new ATOM 0 HB3 HIS A 47 13.231 -6.448 -4.623 1.00 0.00 H new ATOM 0 HD2 HIS A 47 13.270 -2.473 -4.310 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.987 -3.589 -8.191 1.00 0.00 H new ATOM 0 HE2 HIS A 47 12.483 -1.633 -6.648 1.00 0.00 H new ATOM 683 N PHE A 48 10.209 -4.594 -2.820 1.00 0.00 N ATOM 684 CA PHE A 48 8.776 -4.648 -3.079 1.00 0.00 C ATOM 685 C PHE A 48 8.492 -4.717 -4.572 1.00 0.00 C ATOM 686 O PHE A 48 9.098 -3.999 -5.373 1.00 0.00 O ATOM 687 CB PHE A 48 8.060 -3.447 -2.470 1.00 0.00 C ATOM 688 CG PHE A 48 7.937 -3.507 -0.975 1.00 0.00 C ATOM 689 CD1 PHE A 48 7.008 -4.342 -0.377 1.00 0.00 C ATOM 690 CD2 PHE A 48 8.746 -2.727 -0.168 1.00 0.00 C ATOM 691 CE1 PHE A 48 6.890 -4.397 0.999 1.00 0.00 C ATOM 692 CE2 PHE A 48 8.632 -2.776 1.207 1.00 0.00 C ATOM 693 CZ PHE A 48 7.703 -3.612 1.791 1.00 0.00 C ATOM 0 H PHE A 48 10.515 -3.769 -2.304 1.00 0.00 H new ATOM 0 HA PHE A 48 8.395 -5.555 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.596 -2.539 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.063 -3.372 -2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.369 -4.957 -0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.476 -2.071 -0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.163 -5.053 1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.269 -2.161 1.825 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.612 -3.652 2.866 1.00 0.00 H new ATOM 703 N GLN A 49 7.566 -5.584 -4.932 1.00 0.00 N ATOM 704 CA GLN A 49 7.185 -5.781 -6.309 1.00 0.00 C ATOM 705 C GLN A 49 5.698 -5.563 -6.484 1.00 0.00 C ATOM 706 O GLN A 49 4.883 -6.293 -5.911 1.00 0.00 O ATOM 707 CB GLN A 49 7.553 -7.198 -6.766 1.00 0.00 C ATOM 708 CG GLN A 49 6.797 -7.658 -8.006 1.00 0.00 C ATOM 709 CD GLN A 49 7.272 -9.000 -8.521 1.00 0.00 C ATOM 710 OE1 GLN A 49 6.738 -10.044 -8.150 1.00 0.00 O ATOM 711 NE2 GLN A 49 8.279 -8.979 -9.377 1.00 0.00 N ATOM 0 H GLN A 49 7.057 -6.172 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 49 7.724 -5.056 -6.919 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.623 -7.238 -6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.356 -7.895 -5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.733 -7.719 -7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.911 -6.912 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.692 -8.089 -9.657 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.643 -9.852 -9.757 1.00 0.00 H new ATOM 720 N TRP A 50 5.340 -4.538 -7.232 1.00 0.00 N ATOM 721 CA TRP A 50 3.946 -4.282 -7.506 1.00 0.00 C ATOM 722 C TRP A 50 3.429 -5.358 -8.449 1.00 0.00 C ATOM 723 O TRP A 50 3.877 -5.468 -9.587 1.00 0.00 O ATOM 724 CB TRP A 50 3.758 -2.892 -8.111 1.00 0.00 C ATOM 725 CG TRP A 50 3.906 -1.794 -7.106 1.00 0.00 C ATOM 726 CD1 TRP A 50 4.938 -0.907 -6.991 1.00 0.00 C ATOM 727 CD2 TRP A 50 2.986 -1.478 -6.061 1.00 0.00 C ATOM 728 NE1 TRP A 50 4.706 -0.052 -5.937 1.00 0.00 N ATOM 729 CE2 TRP A 50 3.513 -0.385 -5.352 1.00 0.00 C ATOM 730 CE3 TRP A 50 1.760 -2.014 -5.662 1.00 0.00 C ATOM 731 CZ2 TRP A 50 2.858 0.178 -4.262 1.00 0.00 C ATOM 732 CZ3 TRP A 50 1.112 -1.455 -4.581 1.00 0.00 C ATOM 733 CH2 TRP A 50 1.660 -0.367 -3.894 1.00 0.00 C ATOM 0 H TRP A 50 5.990 -3.876 -7.656 1.00 0.00 H new ATOM 0 HA TRP A 50 3.380 -4.311 -6.575 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.486 -2.747 -8.909 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.769 -2.830 -8.566 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.807 -0.880 -7.632 1.00 0.00 H new ATOM 0 HE1 TRP A 50 5.322 0.705 -5.640 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.327 -2.851 -6.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.281 1.015 -3.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.166 -1.864 -4.259 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.125 0.052 -3.054 1.00 0.00 H new ATOM 744 N GLY A 51 2.511 -6.162 -7.950 1.00 0.00 N ATOM 745 CA GLY A 51 1.941 -7.237 -8.736 1.00 0.00 C ATOM 746 C GLY A 51 2.598 -8.567 -8.424 1.00 0.00 C ATOM 747 O GLY A 51 2.784 -9.399 -9.312 1.00 0.00 O ATOM 0 H GLY A 51 2.143 -6.090 -7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.871 -7.304 -8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.057 -7.014 -9.797 1.00 0.00 H new ATOM 751 N GLY A 52 2.965 -8.762 -7.161 1.00 0.00 N ATOM 752 CA GLY A 52 3.607 -9.999 -6.763 1.00 0.00 C ATOM 753 C GLY A 52 2.712 -10.893 -5.928 1.00 0.00 C ATOM 754 O GLY A 52 2.586 -12.082 -6.217 1.00 0.00 O ATOM 0 H GLY A 52 2.829 -8.087 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.921 -10.541 -7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.509 -9.767 -6.196 1.00 0.00 H new ATOM 758 N GLN A 53 2.097 -10.314 -4.892 1.00 0.00 N ATOM 759 CA GLN A 53 1.216 -11.045 -3.975 1.00 0.00 C ATOM 760 C GLN A 53 2.016 -12.015 -3.095 1.00 0.00 C ATOM 761 O GLN A 53 3.038 -12.556 -3.516 1.00 0.00 O ATOM 762 CB GLN A 53 0.095 -11.769 -4.744 1.00 0.00 C ATOM 763 CG GLN A 53 -0.575 -12.893 -3.968 1.00 0.00 C ATOM 764 CD GLN A 53 -1.671 -13.577 -4.755 1.00 0.00 C ATOM 765 OE1 GLN A 53 -2.317 -12.966 -5.604 1.00 0.00 O ATOM 766 NE2 GLN A 53 -1.891 -14.852 -4.479 1.00 0.00 N ATOM 0 H GLN A 53 2.196 -9.324 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 53 0.743 -10.320 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.663 -11.039 -5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.509 -12.177 -5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.176 -13.630 -3.684 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.993 -12.492 -3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.333 -15.323 -3.767 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.619 -15.364 -4.978 1.00 0.00 H new ATOM 775 N ASN A 54 1.561 -12.181 -1.849 1.00 0.00 N ATOM 776 CA ASN A 54 2.193 -13.079 -0.877 1.00 0.00 C ATOM 777 C ASN A 54 3.514 -12.512 -0.382 1.00 0.00 C ATOM 778 O ASN A 54 4.436 -13.249 -0.050 1.00 0.00 O ATOM 779 CB ASN A 54 2.409 -14.480 -1.463 1.00 0.00 C ATOM 780 CG ASN A 54 1.111 -15.198 -1.773 1.00 0.00 C ATOM 781 OD1 ASN A 54 0.083 -14.948 -0.974 1.00 0.00 O flip ATOM 782 ND2 ASN A 54 1.035 -15.981 -2.722 1.00 0.00 N flip ATOM 0 H ASN A 54 0.741 -11.695 -1.485 1.00 0.00 H new ATOM 0 HA ASN A 54 1.512 -13.164 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.000 -14.399 -2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.989 -15.077 -0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.849 -16.146 -3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.158 -16.464 -2.916 1.00 0.00 H new ATOM 789 N PHE A 55 3.599 -11.194 -0.316 1.00 0.00 N ATOM 790 CA PHE A 55 4.817 -10.551 0.150 1.00 0.00 C ATOM 791 C PHE A 55 4.896 -10.662 1.663 1.00 0.00 C ATOM 792 O PHE A 55 5.977 -10.794 2.229 1.00 0.00 O ATOM 793 CB PHE A 55 4.874 -9.076 -0.295 1.00 0.00 C ATOM 794 CG PHE A 55 4.178 -8.104 0.619 1.00 0.00 C ATOM 795 CD1 PHE A 55 2.806 -7.929 0.554 1.00 0.00 C ATOM 796 CD2 PHE A 55 4.903 -7.352 1.531 1.00 0.00 C ATOM 797 CE1 PHE A 55 2.170 -7.026 1.381 1.00 0.00 C ATOM 798 CE2 PHE A 55 4.271 -6.447 2.360 1.00 0.00 C ATOM 799 CZ PHE A 55 2.903 -6.282 2.285 1.00 0.00 C ATOM 0 H PHE A 55 2.849 -10.554 -0.576 1.00 0.00 H new ATOM 0 HA PHE A 55 5.675 -11.057 -0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.919 -8.780 -0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.433 -8.996 -1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.227 -8.506 -0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.974 -7.476 1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.099 -6.901 1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.847 -5.868 3.067 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.407 -5.573 2.931 1.00 0.00 H new ATOM 809 N THR A 56 3.729 -10.666 2.298 1.00 0.00 N ATOM 810 CA THR A 56 3.626 -10.747 3.747 1.00 0.00 C ATOM 811 C THR A 56 4.164 -12.064 4.280 1.00 0.00 C ATOM 812 O THR A 56 4.632 -12.136 5.410 1.00 0.00 O ATOM 813 CB THR A 56 2.165 -10.577 4.196 1.00 0.00 C ATOM 814 OG1 THR A 56 1.323 -11.492 3.479 1.00 0.00 O ATOM 815 CG2 THR A 56 1.698 -9.152 3.956 1.00 0.00 C ATOM 0 H THR A 56 2.829 -10.613 1.821 1.00 0.00 H new ATOM 0 HA THR A 56 4.232 -9.938 4.155 1.00 0.00 H new ATOM 0 HB THR A 56 2.102 -10.791 5.263 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.131 -12.270 4.043 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.662 -9.049 4.279 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.325 -8.463 4.522 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.771 -8.919 2.894 1.00 0.00 H new ATOM 823 N GLU A 57 4.113 -13.105 3.458 1.00 0.00 N ATOM 824 CA GLU A 57 4.603 -14.411 3.875 1.00 0.00 C ATOM 825 C GLU A 57 6.127 -14.405 3.947 1.00 0.00 C ATOM 826 O GLU A 57 6.742 -15.298 4.533 1.00 0.00 O ATOM 827 CB GLU A 57 4.107 -15.508 2.927 1.00 0.00 C ATOM 828 CG GLU A 57 4.918 -15.668 1.660 1.00 0.00 C ATOM 829 CD GLU A 57 4.516 -16.898 0.877 1.00 0.00 C ATOM 830 OE1 GLU A 57 3.460 -16.869 0.214 1.00 0.00 O ATOM 831 OE2 GLU A 57 5.245 -17.908 0.945 1.00 0.00 O ATOM 0 H GLU A 57 3.741 -13.071 2.509 1.00 0.00 H new ATOM 0 HA GLU A 57 4.211 -14.625 4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.105 -16.457 3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.074 -15.293 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.791 -14.784 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.976 -15.730 1.913 1.00 0.00 H new ATOM 838 N THR A 58 6.727 -13.381 3.357 1.00 0.00 N ATOM 839 CA THR A 58 8.169 -13.239 3.344 1.00 0.00 C ATOM 840 C THR A 58 8.562 -11.882 3.913 1.00 0.00 C ATOM 841 O THR A 58 9.693 -11.425 3.755 1.00 0.00 O ATOM 842 CB THR A 58 8.719 -13.377 1.914 1.00 0.00 C ATOM 843 OG1 THR A 58 8.167 -12.354 1.078 1.00 0.00 O ATOM 844 CG2 THR A 58 8.378 -14.739 1.334 1.00 0.00 C ATOM 0 H THR A 58 6.228 -12.631 2.878 1.00 0.00 H new ATOM 0 HA THR A 58 8.596 -14.031 3.960 1.00 0.00 H new ATOM 0 HB THR A 58 9.803 -13.273 1.954 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.455 -11.885 1.561 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.777 -14.814 0.322 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.817 -15.519 1.956 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.295 -14.862 1.307 1.00 0.00 H new ATOM 852 N ALA A 59 7.602 -11.241 4.558 1.00 0.00 N ATOM 853 CA ALA A 59 7.809 -9.938 5.156 1.00 0.00 C ATOM 854 C ALA A 59 7.422 -9.955 6.625 1.00 0.00 C ATOM 855 O ALA A 59 6.650 -10.804 7.071 1.00 0.00 O ATOM 856 CB ALA A 59 7.016 -8.874 4.413 1.00 0.00 C ATOM 0 H ALA A 59 6.659 -11.611 4.680 1.00 0.00 H new ATOM 0 HA ALA A 59 8.869 -9.695 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.185 -7.903 4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.339 -8.839 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.954 -9.116 4.455 1.00 0.00 H new ATOM 862 N GLU A 60 7.980 -9.020 7.369 1.00 0.00 N ATOM 863 CA GLU A 60 7.715 -8.891 8.792 1.00 0.00 C ATOM 864 C GLU A 60 7.817 -7.432 9.191 1.00 0.00 C ATOM 865 O GLU A 60 8.248 -6.615 8.389 1.00 0.00 O ATOM 866 CB GLU A 60 8.705 -9.725 9.608 1.00 0.00 C ATOM 867 CG GLU A 60 9.824 -10.347 8.783 1.00 0.00 C ATOM 868 CD GLU A 60 10.802 -11.131 9.633 1.00 0.00 C ATOM 869 OE1 GLU A 60 11.673 -10.506 10.267 1.00 0.00 O ATOM 870 OE2 GLU A 60 10.693 -12.377 9.680 1.00 0.00 O ATOM 0 H GLU A 60 8.632 -8.326 7.004 1.00 0.00 H new ATOM 0 HA GLU A 60 6.710 -9.259 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.145 -9.094 10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.160 -10.519 10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.393 -11.006 8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.359 -9.561 8.250 1.00 0.00 H new ATOM 877 N ASP A 61 7.417 -7.112 10.418 1.00 0.00 N ATOM 878 CA ASP A 61 7.478 -5.736 10.928 1.00 0.00 C ATOM 879 C ASP A 61 6.861 -4.760 9.927 1.00 0.00 C ATOM 880 O ASP A 61 7.480 -3.763 9.554 1.00 0.00 O ATOM 881 CB ASP A 61 8.935 -5.338 11.190 1.00 0.00 C ATOM 882 CG ASP A 61 9.080 -4.310 12.293 1.00 0.00 C ATOM 883 OD1 ASP A 61 8.493 -4.509 13.377 1.00 0.00 O ATOM 884 OD2 ASP A 61 9.814 -3.323 12.089 1.00 0.00 O ATOM 0 H ASP A 61 7.044 -7.788 11.085 1.00 0.00 H new ATOM 0 HA ASP A 61 6.912 -5.693 11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.507 -6.228 11.453 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.368 -4.941 10.272 1.00 0.00 H new ATOM 889 N ILE A 62 5.642 -5.044 9.499 1.00 0.00 N ATOM 890 CA ILE A 62 4.977 -4.216 8.504 1.00 0.00 C ATOM 891 C ILE A 62 4.272 -3.019 9.126 1.00 0.00 C ATOM 892 O ILE A 62 3.290 -3.168 9.854 1.00 0.00 O ATOM 893 CB ILE A 62 3.968 -5.036 7.674 1.00 0.00 C ATOM 894 CG1 ILE A 62 4.539 -6.435 7.406 1.00 0.00 C ATOM 895 CG2 ILE A 62 3.674 -4.317 6.366 1.00 0.00 C ATOM 896 CD1 ILE A 62 3.804 -7.217 6.340 1.00 0.00 C ATOM 0 H ILE A 62 5.093 -5.840 9.824 1.00 0.00 H new ATOM 0 HA ILE A 62 5.761 -3.843 7.846 1.00 0.00 H new ATOM 0 HB ILE A 62 3.036 -5.140 8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.584 -6.337 7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.521 -7.005 8.335 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.961 -4.900 5.783 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.253 -3.334 6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.598 -4.201 5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.274 -8.193 6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.764 -7.351 6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.844 -6.672 5.397 1.00 0.00 H new ATOM 908 N ARG A 63 4.793 -1.836 8.839 1.00 0.00 N ATOM 909 CA ARG A 63 4.223 -0.588 9.331 1.00 0.00 C ATOM 910 C ARG A 63 3.969 0.353 8.164 1.00 0.00 C ATOM 911 O ARG A 63 4.877 0.658 7.390 1.00 0.00 O ATOM 912 CB ARG A 63 5.145 0.067 10.362 1.00 0.00 C ATOM 913 CG ARG A 63 6.619 -0.222 10.131 1.00 0.00 C ATOM 914 CD ARG A 63 7.237 -0.927 11.328 1.00 0.00 C ATOM 915 NE ARG A 63 6.381 -2.001 11.836 1.00 0.00 N ATOM 916 CZ ARG A 63 5.639 -1.905 12.945 1.00 0.00 C ATOM 917 NH1 ARG A 63 5.647 -0.784 13.663 1.00 0.00 N ATOM 918 NH2 ARG A 63 4.889 -2.927 13.334 1.00 0.00 N ATOM 0 H ARG A 63 5.623 -1.712 8.259 1.00 0.00 H new ATOM 0 HA ARG A 63 3.276 -0.806 9.825 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.988 1.145 10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.867 -0.279 11.357 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.736 -0.841 9.241 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.150 0.711 9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.206 -1.339 11.045 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.418 -0.202 12.122 1.00 0.00 H new ATOM 0 HE ARG A 63 6.349 -2.876 11.312 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.220 0.006 13.368 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.080 -0.715 14.508 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.877 -3.788 12.787 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.324 -2.852 14.180 1.00 0.00 H new ATOM 932 N PHE A 64 2.737 0.816 8.038 1.00 0.00 N ATOM 933 CA PHE A 64 2.364 1.697 6.946 1.00 0.00 C ATOM 934 C PHE A 64 2.526 3.166 7.332 1.00 0.00 C ATOM 935 O PHE A 64 2.187 3.578 8.442 1.00 0.00 O ATOM 936 CB PHE A 64 0.919 1.406 6.508 1.00 0.00 C ATOM 937 CG PHE A 64 0.379 2.382 5.503 1.00 0.00 C ATOM 938 CD1 PHE A 64 1.124 2.749 4.394 1.00 0.00 C ATOM 939 CD2 PHE A 64 -0.873 2.939 5.676 1.00 0.00 C ATOM 940 CE1 PHE A 64 0.629 3.656 3.480 1.00 0.00 C ATOM 941 CE2 PHE A 64 -1.372 3.843 4.763 1.00 0.00 C ATOM 942 CZ PHE A 64 -0.621 4.203 3.666 1.00 0.00 C ATOM 0 H PHE A 64 1.976 0.595 8.681 1.00 0.00 H new ATOM 0 HA PHE A 64 3.035 1.504 6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.873 0.402 6.086 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.275 1.412 7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.104 2.320 4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.467 2.664 6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.220 3.936 2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.353 4.270 4.908 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.012 4.913 2.953 1.00 0.00 H new ATOM 952 N HIS A 65 3.066 3.940 6.399 1.00 0.00 N ATOM 953 CA HIS A 65 3.283 5.369 6.594 1.00 0.00 C ATOM 954 C HIS A 65 2.556 6.150 5.487 1.00 0.00 C ATOM 955 O HIS A 65 3.164 6.519 4.482 1.00 0.00 O ATOM 956 CB HIS A 65 4.789 5.661 6.567 1.00 0.00 C ATOM 957 CG HIS A 65 5.196 6.912 7.282 1.00 0.00 C ATOM 958 ND1 HIS A 65 6.416 7.526 7.084 1.00 0.00 N ATOM 959 CD2 HIS A 65 4.565 7.640 8.233 1.00 0.00 C ATOM 960 CE1 HIS A 65 6.517 8.568 7.887 1.00 0.00 C ATOM 961 NE2 HIS A 65 5.408 8.662 8.591 1.00 0.00 N ATOM 0 H HIS A 65 3.366 3.596 5.487 1.00 0.00 H new ATOM 0 HA HIS A 65 2.884 5.681 7.559 1.00 0.00 H new ATOM 0 HB2 HIS A 65 5.317 4.817 7.011 1.00 0.00 H new ATOM 0 HB3 HIS A 65 5.113 5.730 5.529 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.581 7.451 8.635 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.366 9.232 7.955 1.00 0.00 H new ATOM 0 HE2 HIS A 65 5.208 9.378 9.289 1.00 0.00 H new ATOM 970 N PRO A 66 1.235 6.382 5.657 1.00 0.00 N ATOM 971 CA PRO A 66 0.402 7.094 4.669 1.00 0.00 C ATOM 972 C PRO A 66 0.900 8.479 4.332 1.00 0.00 C ATOM 973 O PRO A 66 0.880 8.908 3.184 1.00 0.00 O ATOM 974 CB PRO A 66 -0.967 7.219 5.339 1.00 0.00 C ATOM 975 CG PRO A 66 -0.792 6.787 6.755 1.00 0.00 C ATOM 976 CD PRO A 66 0.445 5.942 6.815 1.00 0.00 C ATOM 0 HA PRO A 66 0.403 6.544 3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.330 8.246 5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.704 6.596 4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.698 7.652 7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.660 6.222 7.094 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.987 6.094 7.748 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.206 4.880 6.755 1.00 0.00 H new ATOM 984 N LYS A 67 1.291 9.180 5.348 1.00 0.00 N ATOM 985 CA LYS A 67 1.795 10.529 5.189 1.00 0.00 C ATOM 986 C LYS A 67 3.218 10.601 5.710 1.00 0.00 C ATOM 987 O LYS A 67 3.450 10.965 6.862 1.00 0.00 O ATOM 988 CB LYS A 67 0.927 11.551 5.936 1.00 0.00 C ATOM 989 CG LYS A 67 -0.576 11.313 5.852 1.00 0.00 C ATOM 990 CD LYS A 67 -1.055 10.419 6.987 1.00 0.00 C ATOM 991 CE LYS A 67 -2.571 10.388 7.081 1.00 0.00 C ATOM 992 NZ LYS A 67 -3.036 9.729 8.331 1.00 0.00 N ATOM 0 H LYS A 67 1.275 8.846 6.312 1.00 0.00 H new ATOM 0 HA LYS A 67 1.767 10.775 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.220 11.553 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.144 12.544 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.101 12.267 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.821 10.853 4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.680 9.407 6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.640 10.775 7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.958 11.406 7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.977 9.859 6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.076 9.728 8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.688 8.749 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.670 10.248 9.154 1.00 0.00 H new ATOM 1063 N GLN A 73 3.899 11.515 1.886 1.00 0.00 N ATOM 1064 CA GLN A 73 3.936 10.510 0.837 1.00 0.00 C ATOM 1065 C GLN A 73 3.631 9.130 1.399 1.00 0.00 C ATOM 1066 O GLN A 73 4.292 8.670 2.327 1.00 0.00 O ATOM 1067 CB GLN A 73 5.314 10.527 0.164 1.00 0.00 C ATOM 1068 CG GLN A 73 5.439 9.591 -1.027 1.00 0.00 C ATOM 1069 CD GLN A 73 6.771 9.733 -1.737 1.00 0.00 C ATOM 1070 OE1 GLN A 73 6.918 10.533 -2.660 1.00 0.00 O ATOM 1071 NE2 GLN A 73 7.759 8.968 -1.306 1.00 0.00 N ATOM 0 HA GLN A 73 3.172 10.743 0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.533 11.543 -0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.070 10.259 0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.318 8.561 -0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.632 9.793 -1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.601 8.316 -0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.679 9.030 -1.741 1.00 0.00 H new ATOM 1080 N PRO A 74 2.605 8.465 0.860 1.00 0.00 N ATOM 1081 CA PRO A 74 2.215 7.131 1.302 1.00 0.00 C ATOM 1082 C PRO A 74 3.232 6.080 0.906 1.00 0.00 C ATOM 1083 O PRO A 74 3.386 5.751 -0.273 1.00 0.00 O ATOM 1084 CB PRO A 74 0.884 6.883 0.593 1.00 0.00 C ATOM 1085 CG PRO A 74 0.920 7.770 -0.603 1.00 0.00 C ATOM 1086 CD PRO A 74 1.731 8.974 -0.205 1.00 0.00 C ATOM 0 HA PRO A 74 2.143 7.069 2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.777 5.837 0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.040 7.124 1.239 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.372 7.259 -1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.087 8.060 -0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.307 9.365 -1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.096 9.785 0.151 1.00 0.00 H new ATOM 1094 N ILE A 75 3.946 5.571 1.889 1.00 0.00 N ATOM 1095 CA ILE A 75 4.946 4.553 1.648 1.00 0.00 C ATOM 1096 C ILE A 75 4.834 3.468 2.710 1.00 0.00 C ATOM 1097 O ILE A 75 4.529 3.742 3.874 1.00 0.00 O ATOM 1098 CB ILE A 75 6.392 5.125 1.595 1.00 0.00 C ATOM 1099 CG1 ILE A 75 6.968 5.362 2.988 1.00 0.00 C ATOM 1100 CG2 ILE A 75 6.434 6.416 0.792 1.00 0.00 C ATOM 1101 CD1 ILE A 75 7.922 4.272 3.429 1.00 0.00 C ATOM 0 H ILE A 75 3.851 5.848 2.866 1.00 0.00 H new ATOM 0 HA ILE A 75 4.751 4.128 0.663 1.00 0.00 H new ATOM 0 HB ILE A 75 7.010 4.375 1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.489 6.320 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.151 5.433 3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.455 6.797 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.096 6.222 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.781 7.155 1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.297 4.499 4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.399 3.316 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.758 4.216 2.731 1.00 0.00 H new ATOM 1113 N LEU A 76 5.032 2.238 2.297 1.00 0.00 N ATOM 1114 CA LEU A 76 4.948 1.108 3.200 1.00 0.00 C ATOM 1115 C LEU A 76 6.323 0.472 3.367 1.00 0.00 C ATOM 1116 O LEU A 76 6.985 0.153 2.381 1.00 0.00 O ATOM 1117 CB LEU A 76 3.919 0.102 2.650 1.00 0.00 C ATOM 1118 CG LEU A 76 3.677 -1.171 3.473 1.00 0.00 C ATOM 1119 CD1 LEU A 76 4.639 -2.275 3.064 1.00 0.00 C ATOM 1120 CD2 LEU A 76 3.807 -0.889 4.958 1.00 0.00 C ATOM 0 H LEU A 76 5.255 1.991 1.333 1.00 0.00 H new ATOM 0 HA LEU A 76 4.617 1.437 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.966 0.619 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.238 -0.196 1.651 1.00 0.00 H new ATOM 0 HG LEU A 76 2.660 -1.507 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.446 -3.166 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.497 -2.509 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.664 -1.943 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.631 -1.807 5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.810 -0.519 5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.073 -0.138 5.251 1.00 0.00 H new ATOM 1132 N ARG A 77 6.761 0.312 4.609 1.00 0.00 N ATOM 1133 CA ARG A 77 8.048 -0.301 4.874 1.00 0.00 C ATOM 1134 C ARG A 77 7.873 -1.518 5.777 1.00 0.00 C ATOM 1135 O ARG A 77 7.030 -1.530 6.680 1.00 0.00 O ATOM 1136 CB ARG A 77 9.049 0.693 5.495 1.00 0.00 C ATOM 1137 CG ARG A 77 8.828 0.983 6.972 1.00 0.00 C ATOM 1138 CD ARG A 77 7.697 1.965 7.198 1.00 0.00 C ATOM 1139 NE ARG A 77 8.016 3.299 6.685 1.00 0.00 N ATOM 1140 CZ ARG A 77 8.622 4.251 7.404 1.00 0.00 C ATOM 1141 NH1 ARG A 77 9.002 4.012 8.651 1.00 0.00 N ATOM 1142 NH2 ARG A 77 8.864 5.442 6.872 1.00 0.00 N ATOM 0 H ARG A 77 6.245 0.597 5.441 1.00 0.00 H new ATOM 0 HA ARG A 77 8.464 -0.619 3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 77 10.058 0.301 5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.997 1.632 4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.609 0.052 7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.746 1.382 7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.794 1.596 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.481 2.029 8.264 1.00 0.00 H new ATOM 0 HE ARG A 77 7.761 3.516 5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.833 3.097 9.069 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.463 4.743 9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.588 5.636 5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.326 6.163 7.425 1.00 0.00 H new ATOM 1156 N ALA A 78 8.660 -2.540 5.503 1.00 0.00 N ATOM 1157 CA ALA A 78 8.630 -3.785 6.261 1.00 0.00 C ATOM 1158 C ALA A 78 9.917 -4.569 6.035 1.00 0.00 C ATOM 1159 O ALA A 78 10.707 -4.225 5.161 1.00 0.00 O ATOM 1160 CB ALA A 78 7.433 -4.628 5.848 1.00 0.00 C ATOM 0 H ALA A 78 9.343 -2.534 4.746 1.00 0.00 H new ATOM 0 HA ALA A 78 8.542 -3.543 7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.425 -5.554 6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.514 -4.074 6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.501 -4.861 4.785 1.00 0.00 H new ATOM 1166 N ARG A 79 10.114 -5.638 6.801 1.00 0.00 N ATOM 1167 CA ARG A 79 11.310 -6.464 6.664 1.00 0.00 C ATOM 1168 C ARG A 79 11.075 -7.483 5.563 1.00 0.00 C ATOM 1169 O ARG A 79 10.210 -8.341 5.689 1.00 0.00 O ATOM 1170 CB ARG A 79 11.640 -7.221 7.963 1.00 0.00 C ATOM 1171 CG ARG A 79 11.417 -6.436 9.247 1.00 0.00 C ATOM 1172 CD ARG A 79 12.049 -5.061 9.185 1.00 0.00 C ATOM 1173 NE ARG A 79 11.886 -4.313 10.426 1.00 0.00 N ATOM 1174 CZ ARG A 79 12.851 -3.608 11.012 1.00 0.00 C ATOM 1175 NH1 ARG A 79 14.083 -3.610 10.517 1.00 0.00 N ATOM 1176 NH2 ARG A 79 12.573 -2.907 12.100 1.00 0.00 N ATOM 0 H ARG A 79 9.463 -5.952 7.521 1.00 0.00 H new ATOM 0 HA ARG A 79 12.147 -5.806 6.430 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.034 -8.127 8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.683 -7.536 7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.347 -6.336 9.430 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.834 -6.990 10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.111 -5.163 8.963 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.605 -4.498 8.364 1.00 0.00 H new ATOM 0 HE ARG A 79 10.971 -4.331 10.875 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.296 -4.155 9.681 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.816 -3.067 10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.627 -2.911 12.481 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.305 -2.363 12.557 1.00 0.00 H new ATOM 1190 N LEU A 80 11.847 -7.387 4.494 1.00 0.00 N ATOM 1191 CA LEU A 80 11.695 -8.286 3.363 1.00 0.00 C ATOM 1192 C LEU A 80 12.756 -9.375 3.365 1.00 0.00 C ATOM 1193 O LEU A 80 13.954 -9.092 3.412 1.00 0.00 O ATOM 1194 CB LEU A 80 11.745 -7.484 2.062 1.00 0.00 C ATOM 1195 CG LEU A 80 10.385 -7.038 1.519 1.00 0.00 C ATOM 1196 CD1 LEU A 80 9.482 -6.539 2.629 1.00 0.00 C ATOM 1197 CD2 LEU A 80 10.557 -5.977 0.446 1.00 0.00 C ATOM 0 H LEU A 80 12.587 -6.694 4.386 1.00 0.00 H new ATOM 0 HA LEU A 80 10.727 -8.781 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 80 12.362 -6.600 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.242 -8.086 1.302 1.00 0.00 H new ATOM 0 HG LEU A 80 9.906 -7.908 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.525 -6.230 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.320 -7.338 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.951 -5.689 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.578 -5.674 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.068 -5.112 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.148 -6.382 -0.375 1.00 0.00 H new ATOM 1209 N ARG A 81 12.298 -10.619 3.331 1.00 0.00 N ATOM 1210 CA ARG A 81 13.179 -11.779 3.326 1.00 0.00 C ATOM 1211 C ARG A 81 13.754 -12.036 1.940 1.00 0.00 C ATOM 1212 O ARG A 81 13.078 -11.844 0.932 1.00 0.00 O ATOM 1213 CB ARG A 81 12.419 -13.019 3.839 1.00 0.00 C ATOM 1214 CG ARG A 81 13.168 -14.344 3.689 1.00 0.00 C ATOM 1215 CD ARG A 81 12.799 -15.054 2.391 1.00 0.00 C ATOM 1216 NE ARG A 81 13.263 -16.443 2.351 1.00 0.00 N ATOM 1217 CZ ARG A 81 12.584 -17.448 1.788 1.00 0.00 C ATOM 1218 NH1 ARG A 81 11.406 -17.229 1.212 1.00 0.00 N ATOM 1219 NH2 ARG A 81 13.098 -18.673 1.785 1.00 0.00 N ATOM 0 H ARG A 81 11.305 -10.852 3.306 1.00 0.00 H new ATOM 0 HA ARG A 81 14.016 -11.574 3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.181 -12.871 4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.471 -13.092 3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.242 -14.160 3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.938 -14.990 4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.716 -15.034 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.227 -14.509 1.550 1.00 0.00 H new ATOM 0 HE ARG A 81 14.163 -16.657 2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.013 -16.288 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.895 -18.002 0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.008 -18.845 2.211 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.582 -19.441 1.356 1.00 0.00 H new ATOM 1277 N GLU A 86 16.909 -14.302 5.060 1.00 0.00 N ATOM 1278 CA GLU A 86 17.142 -13.270 6.055 1.00 0.00 C ATOM 1279 C GLU A 86 16.096 -12.186 5.889 1.00 0.00 C ATOM 1280 O GLU A 86 15.108 -12.397 5.204 1.00 0.00 O ATOM 1281 CB GLU A 86 18.557 -12.705 5.934 1.00 0.00 C ATOM 1282 CG GLU A 86 18.792 -11.819 4.726 1.00 0.00 C ATOM 1283 CD GLU A 86 20.194 -11.257 4.700 1.00 0.00 C ATOM 1284 OE1 GLU A 86 20.430 -10.212 5.336 1.00 0.00 O ATOM 1285 OE2 GLU A 86 21.075 -11.862 4.056 1.00 0.00 O ATOM 0 HA GLU A 86 17.056 -13.698 7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.782 -12.133 6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.262 -13.536 5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.614 -12.392 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.073 -11.000 4.732 1.00 0.00 H new ATOM 1292 N PHE A 87 16.303 -11.038 6.501 1.00 0.00 N ATOM 1293 CA PHE A 87 15.333 -9.957 6.398 1.00 0.00 C ATOM 1294 C PHE A 87 16.011 -8.617 6.264 1.00 0.00 C ATOM 1295 O PHE A 87 17.030 -8.335 6.894 1.00 0.00 O ATOM 1296 CB PHE A 87 14.360 -9.961 7.587 1.00 0.00 C ATOM 1297 CG PHE A 87 14.996 -9.673 8.919 1.00 0.00 C ATOM 1298 CD1 PHE A 87 15.629 -10.677 9.633 1.00 0.00 C ATOM 1299 CD2 PHE A 87 14.952 -8.399 9.459 1.00 0.00 C ATOM 1300 CE1 PHE A 87 16.209 -10.414 10.859 1.00 0.00 C ATOM 1301 CE2 PHE A 87 15.531 -8.129 10.683 1.00 0.00 C ATOM 1302 CZ PHE A 87 16.159 -9.139 11.384 1.00 0.00 C ATOM 0 H PHE A 87 17.123 -10.826 7.070 1.00 0.00 H new ATOM 0 HA PHE A 87 14.754 -10.130 5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.581 -9.221 7.404 1.00 0.00 H new ATOM 0 HB3 PHE A 87 13.871 -10.934 7.636 1.00 0.00 H new ATOM 0 HD1 PHE A 87 15.670 -11.677 9.227 1.00 0.00 H new ATOM 0 HD2 PHE A 87 14.459 -7.606 8.916 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.701 -11.205 11.406 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.493 -7.130 11.091 1.00 0.00 H new ATOM 0 HZ PHE A 87 16.611 -8.931 12.343 1.00 0.00 H new ATOM 1312 N HIS A 88 15.427 -7.813 5.406 1.00 0.00 N ATOM 1313 CA HIS A 88 15.915 -6.484 5.115 1.00 0.00 C ATOM 1314 C HIS A 88 14.745 -5.522 5.006 1.00 0.00 C ATOM 1315 O HIS A 88 13.930 -5.638 4.091 1.00 0.00 O ATOM 1316 CB HIS A 88 16.698 -6.495 3.805 1.00 0.00 C ATOM 1317 CG HIS A 88 18.150 -6.834 3.958 1.00 0.00 C ATOM 1318 ND1 HIS A 88 19.136 -5.880 4.094 1.00 0.00 N ATOM 1319 CD2 HIS A 88 18.781 -8.028 3.985 1.00 0.00 C ATOM 1320 CE1 HIS A 88 20.309 -6.477 4.199 1.00 0.00 C ATOM 1321 NE2 HIS A 88 20.121 -7.779 4.136 1.00 0.00 N ATOM 0 H HIS A 88 14.589 -8.067 4.883 1.00 0.00 H new ATOM 0 HA HIS A 88 16.573 -6.160 5.921 1.00 0.00 H new ATOM 0 HB2 HIS A 88 16.239 -7.214 3.127 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.613 -5.515 3.336 1.00 0.00 H new ATOM 0 HD2 HIS A 88 18.316 -8.999 3.903 1.00 0.00 H new ATOM 0 HE1 HIS A 88 21.261 -5.982 4.317 1.00 0.00 H new ATOM 0 HE2 HIS A 88 20.853 -8.487 4.191 1.00 0.00 H new ATOM 1330 N ASP A 89 14.644 -4.593 5.944 1.00 0.00 N ATOM 1331 CA ASP A 89 13.552 -3.627 5.933 1.00 0.00 C ATOM 1332 C ASP A 89 13.624 -2.724 4.711 1.00 0.00 C ATOM 1333 O ASP A 89 14.559 -1.940 4.544 1.00 0.00 O ATOM 1334 CB ASP A 89 13.512 -2.797 7.228 1.00 0.00 C ATOM 1335 CG ASP A 89 14.826 -2.126 7.579 1.00 0.00 C ATOM 1336 OD1 ASP A 89 15.718 -2.809 8.124 1.00 0.00 O ATOM 1337 OD2 ASP A 89 14.965 -0.911 7.341 1.00 0.00 O ATOM 0 H ASP A 89 15.299 -4.486 6.718 1.00 0.00 H new ATOM 0 HA ASP A 89 12.623 -4.194 5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.741 -2.032 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.217 -3.446 8.053 1.00 0.00 H new ATOM 1342 N ARG A 90 12.640 -2.874 3.838 1.00 0.00 N ATOM 1343 CA ARG A 90 12.556 -2.079 2.632 1.00 0.00 C ATOM 1344 C ARG A 90 11.335 -1.192 2.692 1.00 0.00 C ATOM 1345 O ARG A 90 10.551 -1.279 3.634 1.00 0.00 O ATOM 1346 CB ARG A 90 12.478 -2.982 1.406 1.00 0.00 C ATOM 1347 CG ARG A 90 13.719 -3.816 1.195 1.00 0.00 C ATOM 1348 CD ARG A 90 14.961 -2.948 1.106 1.00 0.00 C ATOM 1349 NE ARG A 90 16.106 -3.701 0.616 1.00 0.00 N ATOM 1350 CZ ARG A 90 17.207 -3.139 0.125 1.00 0.00 C ATOM 1351 NH1 ARG A 90 17.340 -1.816 0.130 1.00 0.00 N ATOM 1352 NH2 ARG A 90 18.170 -3.903 -0.373 1.00 0.00 N ATOM 0 H ARG A 90 11.883 -3.548 3.948 1.00 0.00 H new ATOM 0 HA ARG A 90 13.450 -1.460 2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.617 -3.643 1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.307 -2.368 0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.827 -4.525 2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.615 -4.400 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.769 -2.104 0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.189 -2.536 2.089 1.00 0.00 H new ATOM 0 HE ARG A 90 16.062 -4.719 0.651 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.597 -1.230 0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.185 -1.387 -0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.065 -4.918 -0.378 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.016 -3.476 -0.751 1.00 0.00 H new ATOM 1366 N ASP A 91 11.160 -0.363 1.680 1.00 0.00 N ATOM 1367 CA ASP A 91 10.041 0.550 1.629 1.00 0.00 C ATOM 1368 C ASP A 91 9.553 0.656 0.206 1.00 0.00 C ATOM 1369 O ASP A 91 10.330 0.508 -0.743 1.00 0.00 O ATOM 1370 CB ASP A 91 10.430 1.932 2.160 1.00 0.00 C ATOM 1371 CG ASP A 91 11.548 2.579 1.366 1.00 0.00 C ATOM 1372 OD1 ASP A 91 12.720 2.182 1.553 1.00 0.00 O ATOM 1373 OD2 ASP A 91 11.265 3.489 0.562 1.00 0.00 O ATOM 0 H ASP A 91 11.786 -0.306 0.877 1.00 0.00 H new ATOM 0 HA ASP A 91 9.244 0.164 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.555 2.582 2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.737 1.842 3.202 1.00 0.00 H new ATOM 1378 N VAL A 92 8.270 0.880 0.054 1.00 0.00 N ATOM 1379 CA VAL A 92 7.679 0.991 -1.258 1.00 0.00 C ATOM 1380 C VAL A 92 6.746 2.186 -1.321 1.00 0.00 C ATOM 1381 O VAL A 92 6.118 2.556 -0.330 1.00 0.00 O ATOM 1382 CB VAL A 92 6.921 -0.295 -1.641 1.00 0.00 C ATOM 1383 CG1 VAL A 92 5.697 -0.509 -0.762 1.00 0.00 C ATOM 1384 CG2 VAL A 92 6.557 -0.280 -3.110 1.00 0.00 C ATOM 0 H VAL A 92 7.613 0.989 0.826 1.00 0.00 H new ATOM 0 HA VAL A 92 8.487 1.135 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 92 7.586 -1.141 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.189 -1.425 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.007 -0.591 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.017 0.336 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.022 -1.196 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.921 0.580 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.465 -0.214 -3.709 1.00 0.00 H new ATOM 1394 N ASN A 93 6.676 2.786 -2.491 1.00 0.00 N ATOM 1395 CA ASN A 93 5.838 3.951 -2.708 1.00 0.00 C ATOM 1396 C ASN A 93 4.421 3.536 -3.047 1.00 0.00 C ATOM 1397 O ASN A 93 4.155 3.026 -4.135 1.00 0.00 O ATOM 1398 CB ASN A 93 6.418 4.821 -3.817 1.00 0.00 C ATOM 1399 CG ASN A 93 7.488 5.771 -3.313 1.00 0.00 C ATOM 1400 OD1 ASN A 93 8.235 5.347 -2.306 1.00 0.00 O flip ATOM 1401 ND2 ASN A 93 7.640 6.875 -3.827 1.00 0.00 N flip ATOM 0 H ASN A 93 7.195 2.483 -3.316 1.00 0.00 H new ATOM 0 HA ASN A 93 5.812 4.532 -1.786 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.841 4.182 -4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.616 5.396 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.043 7.163 -4.602 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.364 7.504 -3.479 1.00 0.00 H new ATOM 1408 N LEU A 94 3.509 3.784 -2.120 1.00 0.00 N ATOM 1409 CA LEU A 94 2.114 3.423 -2.307 1.00 0.00 C ATOM 1410 C LEU A 94 1.404 4.412 -3.229 1.00 0.00 C ATOM 1411 O LEU A 94 0.205 4.296 -3.463 1.00 0.00 O ATOM 1412 CB LEU A 94 1.381 3.327 -0.965 1.00 0.00 C ATOM 1413 CG LEU A 94 1.860 2.218 -0.019 1.00 0.00 C ATOM 1414 CD1 LEU A 94 0.734 1.781 0.898 1.00 0.00 C ATOM 1415 CD2 LEU A 94 2.397 1.024 -0.791 1.00 0.00 C ATOM 0 H LEU A 94 3.712 4.235 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 94 2.094 2.441 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.477 4.283 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.320 3.177 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 94 2.673 2.625 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.091 0.994 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.397 2.631 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.096 1.403 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.728 0.257 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.611 0.619 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.238 1.339 -1.409 1.00 0.00 H new ATOM 1427 N ASN A 95 2.149 5.390 -3.748 1.00 0.00 N ATOM 1428 CA ASN A 95 1.591 6.369 -4.685 1.00 0.00 C ATOM 1429 C ASN A 95 1.120 5.664 -5.954 1.00 0.00 C ATOM 1430 O ASN A 95 0.423 6.243 -6.783 1.00 0.00 O ATOM 1431 CB ASN A 95 2.624 7.437 -5.061 1.00 0.00 C ATOM 1432 CG ASN A 95 3.349 8.004 -3.862 1.00 0.00 C ATOM 1433 OD1 ASN A 95 2.830 8.851 -3.145 1.00 0.00 O ATOM 1434 ND2 ASN A 95 4.582 7.572 -3.678 1.00 0.00 N ATOM 0 H ASN A 95 3.138 5.526 -3.537 1.00 0.00 H new ATOM 0 HA ASN A 95 0.750 6.857 -4.192 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.352 7.005 -5.748 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.125 8.247 -5.593 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.144 7.945 -2.913 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.973 6.865 -4.301 1.00 0.00 H new ATOM 1441 N ARG A 96 1.523 4.405 -6.100 1.00 0.00 N ATOM 1442 CA ARG A 96 1.126 3.599 -7.242 1.00 0.00 C ATOM 1443 C ARG A 96 -0.357 3.277 -7.151 1.00 0.00 C ATOM 1444 O ARG A 96 -0.985 2.891 -8.124 1.00 0.00 O ATOM 1445 CB ARG A 96 1.931 2.298 -7.297 1.00 0.00 C ATOM 1446 CG ARG A 96 3.288 2.408 -7.984 1.00 0.00 C ATOM 1447 CD ARG A 96 4.164 3.492 -7.376 1.00 0.00 C ATOM 1448 NE ARG A 96 3.889 4.806 -7.952 1.00 0.00 N ATOM 1449 CZ ARG A 96 4.744 5.825 -7.919 1.00 0.00 C ATOM 1450 NH1 ARG A 96 5.951 5.664 -7.398 1.00 0.00 N ATOM 1451 NH2 ARG A 96 4.398 7.001 -8.425 1.00 0.00 N ATOM 0 H ARG A 96 2.128 3.922 -5.436 1.00 0.00 H new ATOM 0 HA ARG A 96 1.324 4.168 -8.151 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.084 1.940 -6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.339 1.544 -7.815 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.803 1.450 -7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.139 2.618 -9.043 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.002 3.527 -6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.213 3.240 -7.532 1.00 0.00 H new ATOM 0 HE ARG A 96 2.988 4.951 -8.407 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.227 4.757 -7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.605 6.447 -7.374 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.475 7.126 -8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.055 7.781 -8.399 1.00 0.00 H new ATOM 1465 N ILE A 97 -0.909 3.427 -5.965 1.00 0.00 N ATOM 1466 CA ILE A 97 -2.310 3.152 -5.752 1.00 0.00 C ATOM 1467 C ILE A 97 -3.151 4.383 -6.060 1.00 0.00 C ATOM 1468 O ILE A 97 -2.935 5.464 -5.508 1.00 0.00 O ATOM 1469 CB ILE A 97 -2.553 2.694 -4.307 1.00 0.00 C ATOM 1470 CG1 ILE A 97 -1.649 1.501 -4.002 1.00 0.00 C ATOM 1471 CG2 ILE A 97 -4.015 2.325 -4.099 1.00 0.00 C ATOM 1472 CD1 ILE A 97 -1.221 1.427 -2.560 1.00 0.00 C ATOM 0 H ILE A 97 -0.406 3.738 -5.134 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.607 2.351 -6.428 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.316 3.511 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.172 0.582 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.763 1.556 -4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.166 2.003 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.642 3.193 -4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.285 1.514 -4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.581 0.556 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.670 2.330 -2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.101 1.341 -1.923 1.00 0.00 H new ATOM 1484 N GLN A 98 -4.093 4.214 -6.964 1.00 0.00 N ATOM 1485 CA GLN A 98 -4.981 5.278 -7.360 1.00 0.00 C ATOM 1486 C GLN A 98 -6.406 4.902 -6.994 1.00 0.00 C ATOM 1487 O GLN A 98 -6.689 3.740 -6.696 1.00 0.00 O ATOM 1488 CB GLN A 98 -4.867 5.515 -8.865 1.00 0.00 C ATOM 1489 CG GLN A 98 -3.472 5.917 -9.316 1.00 0.00 C ATOM 1490 CD GLN A 98 -3.361 6.051 -10.822 1.00 0.00 C ATOM 1491 OE1 GLN A 98 -3.051 5.087 -11.521 1.00 0.00 O ATOM 1492 NE2 GLN A 98 -3.603 7.247 -11.333 1.00 0.00 N ATOM 0 H GLN A 98 -4.262 3.330 -7.444 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.707 6.197 -6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.161 4.606 -9.390 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.572 6.294 -9.156 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.203 6.865 -8.850 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -2.754 5.175 -8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -3.857 8.022 -10.720 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -3.535 7.395 -12.340 1.00 0.00 H new ATOM 1501 N ASN A 99 -7.292 5.878 -6.998 1.00 0.00 N ATOM 1502 CA ASN A 99 -8.683 5.639 -6.674 1.00 0.00 C ATOM 1503 C ASN A 99 -9.534 5.743 -7.926 1.00 0.00 C ATOM 1504 O ASN A 99 -9.542 6.775 -8.599 1.00 0.00 O ATOM 1505 CB ASN A 99 -9.167 6.634 -5.619 1.00 0.00 C ATOM 1506 CG ASN A 99 -10.661 6.544 -5.379 1.00 0.00 C ATOM 1507 OD1 ASN A 99 -11.122 5.759 -4.553 1.00 0.00 O ATOM 1508 ND2 ASN A 99 -11.427 7.343 -6.105 1.00 0.00 N ATOM 0 H ASN A 99 -7.071 6.848 -7.223 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.778 4.633 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.640 6.451 -4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.913 7.646 -5.935 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.440 7.322 -5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.004 7.980 -6.780 1.00 0.00 H new ATOM 1515 N VAL A 100 -10.230 4.667 -8.247 1.00 0.00 N ATOM 1516 CA VAL A 100 -11.089 4.637 -9.418 1.00 0.00 C ATOM 1517 C VAL A 100 -12.552 4.533 -9.007 1.00 0.00 C ATOM 1518 O VAL A 100 -13.057 3.444 -8.740 1.00 0.00 O ATOM 1519 CB VAL A 100 -10.731 3.470 -10.364 1.00 0.00 C ATOM 1520 CG1 VAL A 100 -11.617 3.481 -11.600 1.00 0.00 C ATOM 1521 CG2 VAL A 100 -9.265 3.534 -10.759 1.00 0.00 C ATOM 0 H VAL A 100 -10.217 3.799 -7.711 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.929 5.571 -9.957 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.905 2.536 -9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.345 2.649 -12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -12.660 3.381 -11.301 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.482 4.420 -12.136 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.031 2.704 -11.426 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.067 4.476 -11.270 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.644 3.468 -9.866 1.00 0.00 H new ATOM 1531 N ASN A 101 -13.209 5.684 -8.918 1.00 0.00 N ATOM 1532 CA ASN A 101 -14.625 5.766 -8.556 1.00 0.00 C ATOM 1533 C ASN A 101 -14.891 5.213 -7.153 1.00 0.00 C ATOM 1534 O ASN A 101 -16.010 4.818 -6.831 1.00 0.00 O ATOM 1535 CB ASN A 101 -15.491 5.034 -9.587 1.00 0.00 C ATOM 1536 CG ASN A 101 -16.965 5.386 -9.473 1.00 0.00 C ATOM 1537 OD1 ASN A 101 -17.321 6.498 -9.073 1.00 0.00 O ATOM 1538 ND2 ASN A 101 -17.828 4.440 -9.818 1.00 0.00 N ATOM 0 H ASN A 101 -12.776 6.591 -9.095 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.895 6.822 -8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -15.140 5.279 -10.589 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -15.368 3.958 -9.460 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -18.831 4.618 -9.758 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -17.489 3.535 -10.143 1.00 0.00 H new ATOM 1545 N GLY A 102 -13.864 5.184 -6.316 1.00 0.00 N ATOM 1546 CA GLY A 102 -14.056 4.706 -4.960 1.00 0.00 C ATOM 1547 C GLY A 102 -13.384 3.380 -4.685 1.00 0.00 C ATOM 1548 O GLY A 102 -13.703 2.707 -3.704 1.00 0.00 O ATOM 0 H GLY A 102 -12.915 5.478 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.671 5.450 -4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.124 4.610 -4.765 1.00 0.00 H new ATOM 1552 N ARG A 103 -12.455 2.996 -5.544 1.00 0.00 N ATOM 1553 CA ARG A 103 -11.742 1.743 -5.367 1.00 0.00 C ATOM 1554 C ARG A 103 -10.242 1.979 -5.456 1.00 0.00 C ATOM 1555 O ARG A 103 -9.785 2.821 -6.231 1.00 0.00 O ATOM 1556 CB ARG A 103 -12.173 0.725 -6.426 1.00 0.00 C ATOM 1557 CG ARG A 103 -11.597 1.002 -7.805 1.00 0.00 C ATOM 1558 CD ARG A 103 -12.044 -0.028 -8.823 1.00 0.00 C ATOM 1559 NE ARG A 103 -13.484 0.022 -9.061 1.00 0.00 N ATOM 1560 CZ ARG A 103 -14.159 -0.942 -9.688 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -13.524 -2.029 -10.113 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -15.465 -0.825 -9.889 1.00 0.00 N ATOM 0 H ARG A 103 -12.178 3.531 -6.367 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.983 1.344 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -11.867 -0.271 -6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.261 0.718 -6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.905 1.995 -8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.508 1.008 -7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.516 0.139 -9.762 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.769 -1.024 -8.475 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.000 0.837 -8.730 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.520 -2.126 -9.960 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.040 -2.766 -10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.959 0.006 -9.563 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -15.975 -1.566 -10.369 1.00 0.00 H new ATOM 1576 N LEU A 104 -9.485 1.250 -4.654 1.00 0.00 N ATOM 1577 CA LEU A 104 -8.038 1.365 -4.658 1.00 0.00 C ATOM 1578 C LEU A 104 -7.453 0.395 -5.673 1.00 0.00 C ATOM 1579 O LEU A 104 -7.859 -0.766 -5.735 1.00 0.00 O ATOM 1580 CB LEU A 104 -7.469 1.076 -3.262 1.00 0.00 C ATOM 1581 CG LEU A 104 -7.903 2.046 -2.165 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -7.240 1.686 -0.846 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -7.576 3.481 -2.556 1.00 0.00 C ATOM 0 H LEU A 104 -9.851 0.569 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.766 2.384 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.763 0.068 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.381 1.086 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.983 1.965 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.560 2.387 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.527 0.674 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.157 1.738 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.893 4.156 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.501 3.580 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.099 3.735 -3.478 1.00 0.00 H new ATOM 1595 N VAL A 105 -6.529 0.878 -6.487 1.00 0.00 N ATOM 1596 CA VAL A 105 -5.895 0.044 -7.494 1.00 0.00 C ATOM 1597 C VAL A 105 -4.434 0.452 -7.690 1.00 0.00 C ATOM 1598 O VAL A 105 -4.116 1.634 -7.812 1.00 0.00 O ATOM 1599 CB VAL A 105 -6.664 0.106 -8.838 1.00 0.00 C ATOM 1600 CG1 VAL A 105 -6.654 1.512 -9.422 1.00 0.00 C ATOM 1601 CG2 VAL A 105 -6.099 -0.900 -9.828 1.00 0.00 C ATOM 0 H VAL A 105 -6.201 1.844 -6.470 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.922 -0.987 -7.140 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.703 -0.157 -8.639 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.202 1.519 -10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.128 2.200 -8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.625 1.825 -9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.653 -0.840 -10.765 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.048 -0.677 -10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.190 -1.905 -9.417 1.00 0.00 H new ATOM 1611 N PHE A 106 -3.551 -0.534 -7.675 1.00 0.00 N ATOM 1612 CA PHE A 106 -2.121 -0.298 -7.849 1.00 0.00 C ATOM 1613 C PHE A 106 -1.773 -0.179 -9.337 1.00 0.00 C ATOM 1614 O PHE A 106 -2.412 -0.815 -10.177 1.00 0.00 O ATOM 1615 CB PHE A 106 -1.318 -1.441 -7.212 1.00 0.00 C ATOM 1616 CG PHE A 106 -1.271 -2.693 -8.050 1.00 0.00 C ATOM 1617 CD1 PHE A 106 -2.412 -3.454 -8.258 1.00 0.00 C ATOM 1618 CD2 PHE A 106 -0.085 -3.096 -8.644 1.00 0.00 C ATOM 1619 CE1 PHE A 106 -2.367 -4.594 -9.039 1.00 0.00 C ATOM 1620 CE2 PHE A 106 -0.037 -4.233 -9.426 1.00 0.00 C ATOM 1621 CZ PHE A 106 -1.178 -4.983 -9.624 1.00 0.00 C ATOM 0 H PHE A 106 -3.800 -1.514 -7.543 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.862 0.639 -7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.299 -1.099 -7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.753 -1.681 -6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -3.345 -3.153 -7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.812 -2.514 -8.493 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -3.261 -5.180 -9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.894 -4.535 -9.883 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.141 -5.873 -10.235 1.00 0.00 H new ATOM 1631 N GLN A 107 -0.798 0.668 -9.657 1.00 0.00 N ATOM 1632 CA GLN A 107 -0.362 0.846 -11.042 1.00 0.00 C ATOM 1633 C GLN A 107 0.316 -0.421 -11.555 1.00 0.00 C ATOM 1634 O GLN A 107 1.502 -0.635 -11.229 1.00 0.00 O ATOM 1635 CB GLN A 107 0.606 2.028 -11.172 1.00 0.00 C ATOM 1636 CG GLN A 107 -0.013 3.378 -10.853 1.00 0.00 C ATOM 1637 CD GLN A 107 0.977 4.521 -10.982 1.00 0.00 C ATOM 1638 OE1 GLN A 107 1.678 4.867 -10.030 1.00 0.00 O ATOM 1639 NE2 GLN A 107 1.026 5.128 -12.156 1.00 0.00 N ATOM 1640 OXT GLN A 107 -0.336 -1.193 -12.289 1.00 0.00 O ATOM 0 H GLN A 107 -0.295 1.241 -8.979 1.00 0.00 H new ATOM 0 HA GLN A 107 -1.249 1.053 -11.641 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.454 1.863 -10.507 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.998 2.052 -12.189 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.855 3.555 -11.523 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.411 3.360 -9.838 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.429 4.811 -12.919 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.661 5.913 -12.298 1.00 0.00 H new