USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 642 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 53 GLN :FLIP amide:sc= 1.02 F(o=0,f=1.9) USER MOD Set 1.2: A 54 ASN :FLIP amide:sc= 0.898 F(o=-0.66,f=1.9) USER MOD Set 2.1: A 43 ASN : amide:sc= -8.73! C(o=-7.7!,f=-12!) USER MOD Set 2.2: A 59 SER OG : rot 95:sc= 2.19 USER MOD Set 2.3: A 73 CYS SG : rot 180:sc= -1.2 USER MOD Set 3.1: A 14 ASN : amide:sc= 1.13 K(o=3.1,f=0.55) USER MOD Set 3.2: A 18 THR OG1 : rot -103:sc= 1.94 USER MOD Set 4.1: A 7 SER OG : rot 126:sc= 0.784 USER MOD Set 4.2: A 23 CYS SG : rot 80:sc= 0.00436 USER MOD Set 5.1: A 6 SER OG : rot 180:sc= 0.0743 USER MOD Set 5.2: A 95 ASN : amide:sc= -0.817 K(o=-0.74,f=-4.9!) USER MOD Single : A 2 SER OG : rot 26:sc= -1.81! USER MOD Single : A 3 TYR OH : rot 30:sc= 0.738 USER MOD Single : A 9 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 13 THR OG1 : rot 162:sc= -0.263 USER MOD Single : A 25 ASN : amide:sc= -2.46! C(o=-2.5!,f=-12!) USER MOD Single : A 29 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.9!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 136:sc= 0.918 USER MOD Single : A 39 THR OG1 : rot -92:sc= 1.22 USER MOD Single : A 40 CYS SG : rot 168:sc= -1.05! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.00086) USER MOD Single : A 58 SER OG : rot 106:sc= 0.464 USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -0.0438 (180deg=-0.366) USER MOD Single : A 70 LYS NZ :NH3+ -145:sc= 1.25 (180deg=1.13) USER MOD Single : A 72 THR OG1 : rot 170:sc= -0.0227 USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= 2.29 (180deg=2.19) USER MOD Single : A 77 THR OG1 : rot -144:sc= 0.0936 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.522 F(o=-4.3!,f=-0.52) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0169 F(o=-1.8!,f=-0.017) USER MOD Single : A 94 GLN : amide:sc= -0.0876 K(o=-0.088,f=-6.5!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-1.8,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 2.132 12.603 -0.650 1.00 0.00 N ATOM 17 CA SER A 2 2.386 11.242 -0.212 1.00 0.00 C ATOM 18 C SER A 2 3.883 10.983 -0.192 1.00 0.00 C ATOM 19 O SER A 2 4.663 11.864 -0.552 1.00 0.00 O ATOM 20 CB SER A 2 1.696 10.240 -1.129 1.00 0.00 C ATOM 21 OG SER A 2 0.337 10.585 -1.339 1.00 0.00 O ATOM 0 HA SER A 2 1.983 11.119 0.793 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.216 10.202 -2.086 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.757 9.243 -0.693 1.00 0.00 H new ATOM 0 HG SER A 2 0.222 11.550 -1.216 1.00 0.00 H new ATOM 26 N TYR A 3 4.290 9.795 0.224 1.00 0.00 N ATOM 27 CA TYR A 3 5.705 9.461 0.275 1.00 0.00 C ATOM 28 C TYR A 3 6.340 9.562 -1.107 1.00 0.00 C ATOM 29 O TYR A 3 7.479 9.992 -1.237 1.00 0.00 O ATOM 30 CB TYR A 3 5.915 8.063 0.861 1.00 0.00 C ATOM 31 CG TYR A 3 5.409 6.922 0.000 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.061 6.587 -0.028 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.286 6.175 -0.777 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.604 5.540 -0.801 1.00 0.00 C ATOM 35 CE2 TYR A 3 5.836 5.125 -1.549 1.00 0.00 C ATOM 36 CZ TYR A 3 4.495 4.814 -1.562 1.00 0.00 C ATOM 37 OH TYR A 3 4.045 3.764 -2.322 1.00 0.00 O ATOM 0 H TYR A 3 3.665 9.049 0.530 1.00 0.00 H new ATOM 0 HA TYR A 3 6.195 10.183 0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.980 7.917 1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.419 8.014 1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.360 7.155 0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.338 6.421 -0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.553 5.290 -0.810 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.532 4.549 -2.141 1.00 0.00 H new ATOM 0 HH TYR A 3 3.122 3.935 -2.602 1.00 0.00 H new ATOM 46 N ALA A 4 5.576 9.207 -2.138 1.00 0.00 N ATOM 47 CA ALA A 4 6.060 9.241 -3.517 1.00 0.00 C ATOM 48 C ALA A 4 6.584 10.625 -3.910 1.00 0.00 C ATOM 49 O ALA A 4 7.386 10.752 -4.832 1.00 0.00 O ATOM 50 CB ALA A 4 4.959 8.802 -4.467 1.00 0.00 C ATOM 0 H ALA A 4 4.611 8.890 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 4 6.897 8.547 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.330 8.831 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.650 7.786 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.106 9.474 -4.371 1.00 0.00 H new ATOM 56 N ASP A 5 6.137 11.653 -3.195 1.00 0.00 N ATOM 57 CA ASP A 5 6.564 13.014 -3.457 1.00 0.00 C ATOM 58 C ASP A 5 8.037 13.196 -3.100 1.00 0.00 C ATOM 59 O ASP A 5 8.704 14.101 -3.607 1.00 0.00 O ATOM 60 CB ASP A 5 5.707 13.986 -2.652 1.00 0.00 C ATOM 61 CG ASP A 5 4.394 14.327 -3.327 1.00 0.00 C ATOM 62 OD1 ASP A 5 4.410 15.098 -4.309 1.00 0.00 O ATOM 63 OD2 ASP A 5 3.336 13.843 -2.868 1.00 0.00 O ATOM 0 H ASP A 5 5.474 11.563 -2.425 1.00 0.00 H new ATOM 0 HA ASP A 5 6.441 13.219 -4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.503 13.554 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.271 14.904 -2.484 1.00 0.00 H new ATOM 67 N SER A 6 8.539 12.332 -2.226 1.00 0.00 N ATOM 68 CA SER A 6 9.927 12.378 -1.799 1.00 0.00 C ATOM 69 C SER A 6 10.492 10.963 -1.690 1.00 0.00 C ATOM 70 O SER A 6 11.374 10.687 -0.876 1.00 0.00 O ATOM 71 CB SER A 6 10.044 13.112 -0.459 1.00 0.00 C ATOM 72 OG SER A 6 9.058 12.666 0.461 1.00 0.00 O ATOM 0 H SER A 6 7.996 11.583 -1.796 1.00 0.00 H new ATOM 0 HA SER A 6 10.508 12.924 -2.542 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.037 12.950 -0.039 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.937 14.185 -0.619 1.00 0.00 H new ATOM 0 HG SER A 6 9.158 13.150 1.307 1.00 0.00 H new ATOM 77 N SER A 7 9.969 10.067 -2.514 1.00 0.00 N ATOM 78 CA SER A 7 10.403 8.683 -2.518 1.00 0.00 C ATOM 79 C SER A 7 10.227 8.105 -3.915 1.00 0.00 C ATOM 80 O SER A 7 9.431 8.617 -4.705 1.00 0.00 O ATOM 81 CB SER A 7 9.600 7.875 -1.489 1.00 0.00 C ATOM 82 OG SER A 7 10.182 6.604 -1.251 1.00 0.00 O ATOM 0 H SER A 7 9.238 10.279 -3.193 1.00 0.00 H new ATOM 0 HA SER A 7 11.456 8.629 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.544 8.431 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.578 7.746 -1.845 1.00 0.00 H new ATOM 0 HG SER A 7 10.342 6.492 -0.291 1.00 0.00 H new ATOM 87 N ARG A 8 10.977 7.060 -4.228 1.00 0.00 N ATOM 88 CA ARG A 8 10.893 6.431 -5.537 1.00 0.00 C ATOM 89 C ARG A 8 11.193 4.940 -5.450 1.00 0.00 C ATOM 90 O ARG A 8 11.696 4.458 -4.432 1.00 0.00 O ATOM 91 CB ARG A 8 11.856 7.105 -6.517 1.00 0.00 C ATOM 92 CG ARG A 8 13.293 7.144 -6.028 1.00 0.00 C ATOM 93 CD ARG A 8 14.216 7.766 -7.062 1.00 0.00 C ATOM 94 NE ARG A 8 13.872 9.155 -7.358 1.00 0.00 N ATOM 95 CZ ARG A 8 14.676 9.989 -8.014 1.00 0.00 C ATOM 96 NH1 ARG A 8 15.884 9.589 -8.399 1.00 0.00 N ATOM 97 NH2 ARG A 8 14.283 11.228 -8.270 1.00 0.00 N ATOM 0 H ARG A 8 11.650 6.630 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 8 9.873 6.553 -5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.820 6.577 -7.470 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.517 8.124 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.347 7.714 -5.100 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.629 6.132 -5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.244 7.719 -6.702 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.173 7.181 -7.981 1.00 0.00 H new ATOM 0 HE ARG A 8 12.966 9.505 -7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.197 8.641 -8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.498 10.230 -8.901 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.363 11.545 -7.964 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.901 11.865 -8.773 1.00 0.00 H new ATOM 108 N ASN A 9 10.880 4.230 -6.532 1.00 0.00 N ATOM 109 CA ASN A 9 11.098 2.786 -6.632 1.00 0.00 C ATOM 110 C ASN A 9 10.365 2.046 -5.521 1.00 0.00 C ATOM 111 O ASN A 9 10.976 1.360 -4.694 1.00 0.00 O ATOM 112 CB ASN A 9 12.593 2.440 -6.613 1.00 0.00 C ATOM 113 CG ASN A 9 13.354 3.070 -7.767 1.00 0.00 C ATOM 114 OD1 ASN A 9 14.056 4.156 -7.492 1.00 0.00 O flip ATOM 115 ND2 ASN A 9 13.346 2.559 -8.889 1.00 0.00 N flip ATOM 0 H ASN A 9 10.466 4.641 -7.369 1.00 0.00 H new ATOM 0 HA ASN A 9 10.691 2.461 -7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.027 2.774 -5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.712 1.357 -6.652 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.792 1.721 -9.064 1.00 0.00 H new ATOM 0 HD22 ASN A 9 13.894 2.975 -9.643 1.00 0.00 H new ATOM 121 N ALA A 10 9.048 2.192 -5.508 1.00 0.00 N ATOM 122 CA ALA A 10 8.220 1.542 -4.508 1.00 0.00 C ATOM 123 C ALA A 10 7.767 0.170 -4.988 1.00 0.00 C ATOM 124 O ALA A 10 7.194 0.032 -6.072 1.00 0.00 O ATOM 125 CB ALA A 10 7.020 2.409 -4.164 1.00 0.00 C ATOM 0 H ALA A 10 8.531 2.757 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 10 8.819 1.407 -3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.411 1.906 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.363 3.366 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.424 2.578 -5.061 1.00 0.00 H new ATOM 131 N VAL A 11 8.043 -0.842 -4.182 1.00 0.00 N ATOM 132 CA VAL A 11 7.667 -2.209 -4.508 1.00 0.00 C ATOM 133 C VAL A 11 6.791 -2.780 -3.403 1.00 0.00 C ATOM 134 O VAL A 11 6.657 -2.177 -2.335 1.00 0.00 O ATOM 135 CB VAL A 11 8.901 -3.120 -4.708 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.765 -2.617 -5.853 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.715 -3.224 -3.428 1.00 0.00 C ATOM 0 H VAL A 11 8.529 -0.742 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 11 7.117 -2.181 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 11 8.543 -4.117 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.627 -3.274 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.181 -2.610 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.108 -1.606 -5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.577 -3.870 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.057 -2.232 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.095 -3.644 -2.636 1.00 0.00 H new ATOM 147 N LEU A 12 6.217 -3.947 -3.653 1.00 0.00 N ATOM 148 CA LEU A 12 5.344 -4.587 -2.682 1.00 0.00 C ATOM 149 C LEU A 12 6.061 -5.750 -2.011 1.00 0.00 C ATOM 150 O LEU A 12 6.382 -6.751 -2.657 1.00 0.00 O ATOM 151 CB LEU A 12 4.059 -5.098 -3.355 1.00 0.00 C ATOM 152 CG LEU A 12 3.074 -4.027 -3.844 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.803 -3.015 -2.742 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.581 -3.344 -5.107 1.00 0.00 C ATOM 0 H LEU A 12 6.340 -4.470 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 12 5.077 -3.844 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.342 -5.717 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.538 -5.745 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 12 2.134 -4.518 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.103 -2.262 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.375 -3.524 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.737 -2.533 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.861 -2.591 -5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.539 -2.866 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.706 -4.085 -5.896 1.00 0.00 H new ATOM 165 N THR A 13 6.303 -5.615 -0.717 1.00 0.00 N ATOM 166 CA THR A 13 6.978 -6.648 0.044 1.00 0.00 C ATOM 167 C THR A 13 6.016 -7.321 1.015 1.00 0.00 C ATOM 168 O THR A 13 4.893 -6.837 1.228 1.00 0.00 O ATOM 169 CB THR A 13 8.189 -6.076 0.814 1.00 0.00 C ATOM 170 OG1 THR A 13 7.807 -4.894 1.530 1.00 0.00 O ATOM 171 CG2 THR A 13 9.331 -5.751 -0.138 1.00 0.00 C ATOM 0 H THR A 13 6.039 -4.795 -0.171 1.00 0.00 H new ATOM 0 HA THR A 13 7.341 -7.392 -0.665 1.00 0.00 H new ATOM 0 HB THR A 13 8.529 -6.832 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.468 -4.707 2.229 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.172 -5.350 0.427 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.642 -6.658 -0.657 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.998 -5.012 -0.867 1.00 0.00 H new ATOM 179 N ASN A 14 6.450 -8.448 1.577 1.00 0.00 N ATOM 180 CA ASN A 14 5.647 -9.206 2.531 1.00 0.00 C ATOM 181 C ASN A 14 4.312 -9.607 1.919 1.00 0.00 C ATOM 182 O ASN A 14 3.251 -9.367 2.498 1.00 0.00 O ATOM 183 CB ASN A 14 5.428 -8.394 3.811 1.00 0.00 C ATOM 184 CG ASN A 14 6.700 -8.227 4.618 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.563 -9.104 4.635 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.834 -7.095 5.282 1.00 0.00 N ATOM 0 H ASN A 14 7.364 -8.859 1.384 1.00 0.00 H new ATOM 0 HA ASN A 14 6.191 -10.116 2.786 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.035 -7.411 3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.674 -8.886 4.425 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.675 -6.924 5.833 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.097 -6.391 5.244 1.00 0.00 H new ATOM 192 N GLY A 15 4.371 -10.194 0.731 1.00 0.00 N ATOM 193 CA GLY A 15 3.164 -10.623 0.048 1.00 0.00 C ATOM 194 C GLY A 15 2.526 -9.509 -0.758 1.00 0.00 C ATOM 195 O GLY A 15 2.009 -9.735 -1.852 1.00 0.00 O ATOM 0 H GLY A 15 5.237 -10.382 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.401 -11.456 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.447 -10.993 0.781 1.00 0.00 H new ATOM 199 N GLY A 16 2.566 -8.305 -0.210 1.00 0.00 N ATOM 200 CA GLY A 16 1.987 -7.157 -0.874 1.00 0.00 C ATOM 201 C GLY A 16 1.250 -6.274 0.102 1.00 0.00 C ATOM 202 O GLY A 16 0.187 -5.739 -0.203 1.00 0.00 O ATOM 0 H GLY A 16 2.994 -8.101 0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.773 -6.583 -1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.303 -7.492 -1.653 1.00 0.00 H new ATOM 206 N ARG A 17 1.820 -6.130 1.288 1.00 0.00 N ATOM 207 CA ARG A 17 1.215 -5.322 2.331 1.00 0.00 C ATOM 208 C ARG A 17 2.175 -4.240 2.799 1.00 0.00 C ATOM 209 O ARG A 17 1.758 -3.213 3.340 1.00 0.00 O ATOM 210 CB ARG A 17 0.820 -6.210 3.512 1.00 0.00 C ATOM 211 CG ARG A 17 2.000 -6.873 4.202 1.00 0.00 C ATOM 212 CD ARG A 17 1.546 -7.770 5.340 1.00 0.00 C ATOM 213 NE ARG A 17 2.672 -8.285 6.116 1.00 0.00 N ATOM 214 CZ ARG A 17 3.121 -7.722 7.240 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.534 -6.638 7.730 1.00 0.00 N ATOM 216 NH2 ARG A 17 4.158 -8.246 7.879 1.00 0.00 N ATOM 0 H ARG A 17 2.704 -6.565 1.551 1.00 0.00 H new ATOM 0 HA ARG A 17 0.325 -4.842 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.276 -5.609 4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.135 -6.982 3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.564 -7.460 3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.675 -6.108 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.879 -7.212 5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.972 -8.604 4.937 1.00 0.00 H new ATOM 0 HE ARG A 17 3.143 -9.125 5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.734 -6.229 7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.883 -6.213 8.589 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.614 -9.081 7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.499 -7.814 8.738 1.00 0.00 H new ATOM 227 N THR A 18 3.458 -4.474 2.591 1.00 0.00 N ATOM 228 CA THR A 18 4.472 -3.531 3.001 1.00 0.00 C ATOM 229 C THR A 18 5.038 -2.779 1.800 1.00 0.00 C ATOM 230 O THR A 18 5.275 -3.362 0.739 1.00 0.00 O ATOM 231 CB THR A 18 5.603 -4.269 3.732 1.00 0.00 C ATOM 232 OG1 THR A 18 5.036 -5.226 4.638 1.00 0.00 O ATOM 233 CG2 THR A 18 6.487 -3.300 4.500 1.00 0.00 C ATOM 0 H THR A 18 3.819 -5.314 2.138 1.00 0.00 H new ATOM 0 HA THR A 18 4.014 -2.806 3.674 1.00 0.00 H new ATOM 0 HB THR A 18 6.221 -4.775 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.090 -4.882 5.554 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.278 -3.853 5.007 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.930 -2.585 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.887 -2.767 5.238 1.00 0.00 H new ATOM 241 N LEU A 19 5.223 -1.480 1.970 1.00 0.00 N ATOM 242 CA LEU A 19 5.769 -0.640 0.919 1.00 0.00 C ATOM 243 C LEU A 19 7.259 -0.441 1.116 1.00 0.00 C ATOM 244 O LEU A 19 7.682 0.127 2.122 1.00 0.00 O ATOM 245 CB LEU A 19 5.088 0.728 0.910 1.00 0.00 C ATOM 246 CG LEU A 19 3.650 0.753 0.404 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.106 2.168 0.468 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.572 0.212 -1.015 1.00 0.00 C ATOM 0 H LEU A 19 5.001 -0.983 2.832 1.00 0.00 H new ATOM 0 HA LEU A 19 5.588 -1.142 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.103 1.126 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.681 1.404 0.294 1.00 0.00 H new ATOM 0 HG LEU A 19 3.041 0.113 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.078 2.179 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.131 2.521 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.718 2.821 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.538 0.238 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.188 0.825 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.934 -0.816 -1.033 1.00 0.00 H new ATOM 259 N ARG A 20 8.051 -0.926 0.180 1.00 0.00 N ATOM 260 CA ARG A 20 9.489 -0.756 0.254 1.00 0.00 C ATOM 261 C ARG A 20 9.915 0.218 -0.829 1.00 0.00 C ATOM 262 O ARG A 20 9.727 -0.052 -2.016 1.00 0.00 O ATOM 263 CB ARG A 20 10.193 -2.100 0.067 1.00 0.00 C ATOM 264 CG ARG A 20 11.701 -2.045 0.280 1.00 0.00 C ATOM 265 CD ARG A 20 12.463 -2.429 -0.979 1.00 0.00 C ATOM 266 NE ARG A 20 12.334 -1.428 -2.041 1.00 0.00 N ATOM 267 CZ ARG A 20 13.324 -1.102 -2.872 1.00 0.00 C ATOM 268 NH1 ARG A 20 14.494 -1.726 -2.786 1.00 0.00 N ATOM 269 NH2 ARG A 20 13.139 -0.167 -3.798 1.00 0.00 N ATOM 0 H ARG A 20 7.724 -1.440 -0.639 1.00 0.00 H new ATOM 0 HA ARG A 20 9.766 -0.365 1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.764 -2.823 0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.992 -2.467 -0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.988 -1.039 0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.978 -2.717 1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.517 -2.562 -0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.097 -3.389 -1.343 1.00 0.00 H new ATOM 0 HE ARG A 20 11.437 -0.954 -2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.634 -2.453 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.252 -1.478 -3.421 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.237 0.304 -3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.899 0.080 -4.432 1.00 0.00 H new ATOM 280 N ALA A 21 10.513 1.329 -0.434 1.00 0.00 N ATOM 281 CA ALA A 21 10.925 2.338 -1.394 1.00 0.00 C ATOM 282 C ALA A 21 12.113 3.139 -0.894 1.00 0.00 C ATOM 283 O ALA A 21 12.485 3.058 0.280 1.00 0.00 O ATOM 284 CB ALA A 21 9.763 3.272 -1.695 1.00 0.00 C ATOM 0 H ALA A 21 10.723 1.554 0.538 1.00 0.00 H new ATOM 0 HA ALA A 21 11.230 1.824 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.080 4.026 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.934 2.699 -2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.442 3.761 -0.775 1.00 0.00 H new ATOM 290 N GLU A 22 12.705 3.907 -1.800 1.00 0.00 N ATOM 291 CA GLU A 22 13.835 4.758 -1.471 1.00 0.00 C ATOM 292 C GLU A 22 13.280 6.099 -1.047 1.00 0.00 C ATOM 293 O GLU A 22 12.783 6.857 -1.879 1.00 0.00 O ATOM 294 CB GLU A 22 14.748 4.941 -2.687 1.00 0.00 C ATOM 295 CG GLU A 22 15.051 3.639 -3.412 1.00 0.00 C ATOM 296 CD GLU A 22 15.855 3.847 -4.675 1.00 0.00 C ATOM 297 OE1 GLU A 22 15.701 4.904 -5.319 1.00 0.00 O ATOM 298 OE2 GLU A 22 16.639 2.946 -5.036 1.00 0.00 O ATOM 0 H GLU A 22 12.416 3.956 -2.777 1.00 0.00 H new ATOM 0 HA GLU A 22 14.426 4.306 -0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.279 5.636 -3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.685 5.396 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.598 2.975 -2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.114 3.140 -3.661 1.00 0.00 H new ATOM 303 N CYS A 23 13.321 6.380 0.238 1.00 0.00 N ATOM 304 CA CYS A 23 12.780 7.622 0.750 1.00 0.00 C ATOM 305 C CYS A 23 13.882 8.644 0.946 1.00 0.00 C ATOM 306 O CYS A 23 14.924 8.342 1.524 1.00 0.00 O ATOM 307 CB CYS A 23 12.048 7.356 2.060 1.00 0.00 C ATOM 308 SG CYS A 23 10.771 6.081 1.936 1.00 0.00 S ATOM 0 H CYS A 23 13.723 5.766 0.947 1.00 0.00 H new ATOM 0 HA CYS A 23 12.074 8.029 0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.774 7.058 2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.590 8.283 2.405 1.00 0.00 H new ATOM 0 HG CYS A 23 11.325 4.906 1.982 1.00 0.00 H new ATOM 313 N ARG A 24 13.667 9.844 0.436 1.00 0.00 N ATOM 314 CA ARG A 24 14.639 10.900 0.561 1.00 0.00 C ATOM 315 C ARG A 24 14.580 11.516 1.949 1.00 0.00 C ATOM 316 O ARG A 24 13.527 11.981 2.388 1.00 0.00 O ATOM 317 CB ARG A 24 14.373 11.957 -0.499 1.00 0.00 C ATOM 318 CG ARG A 24 15.629 12.637 -0.993 1.00 0.00 C ATOM 319 CD ARG A 24 15.338 13.490 -2.206 1.00 0.00 C ATOM 320 NE ARG A 24 14.717 14.763 -1.856 1.00 0.00 N ATOM 321 CZ ARG A 24 14.866 15.883 -2.562 1.00 0.00 C ATOM 322 NH1 ARG A 24 15.605 15.883 -3.667 1.00 0.00 N ATOM 323 NH2 ARG A 24 14.272 16.999 -2.161 1.00 0.00 N ATOM 0 H ARG A 24 12.821 10.106 -0.070 1.00 0.00 H new ATOM 0 HA ARG A 24 15.637 10.487 0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.862 11.494 -1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.697 12.709 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.048 13.256 -0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.380 11.887 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.266 13.678 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.682 12.943 -2.882 1.00 0.00 H new ATOM 0 HE ARG A 24 14.133 14.798 -1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.060 15.024 -3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.717 16.742 -4.205 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.703 16.998 -1.314 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.384 17.858 -2.699 1.00 0.00 H new ATOM 334 N ASN A 25 15.703 11.486 2.646 1.00 0.00 N ATOM 335 CA ASN A 25 15.775 12.054 3.979 1.00 0.00 C ATOM 336 C ASN A 25 16.104 13.537 3.891 1.00 0.00 C ATOM 337 O ASN A 25 16.499 14.011 2.821 1.00 0.00 O ATOM 338 CB ASN A 25 16.799 11.314 4.858 1.00 0.00 C ATOM 339 CG ASN A 25 18.225 11.364 4.331 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.630 12.311 3.666 1.00 0.00 O ATOM 341 ND2 ASN A 25 19.003 10.340 4.635 1.00 0.00 N ATOM 0 H ASN A 25 16.575 11.075 2.311 1.00 0.00 H new ATOM 0 HA ASN A 25 14.801 11.934 4.454 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.779 11.743 5.860 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.495 10.272 4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.971 10.322 4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.635 9.567 5.190 1.00 0.00 H new ATOM 347 N ALA A 26 15.971 14.250 5.007 1.00 0.00 N ATOM 348 CA ALA A 26 16.237 15.689 5.053 1.00 0.00 C ATOM 349 C ALA A 26 17.626 16.040 4.525 1.00 0.00 C ATOM 350 O ALA A 26 17.830 17.112 3.951 1.00 0.00 O ATOM 351 CB ALA A 26 16.078 16.202 6.475 1.00 0.00 C ATOM 0 H ALA A 26 15.678 13.852 5.899 1.00 0.00 H new ATOM 0 HA ALA A 26 15.510 16.174 4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.278 17.273 6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.060 16.015 6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.782 15.687 7.129 1.00 0.00 H new ATOM 357 N ASP A 27 18.574 15.131 4.712 1.00 0.00 N ATOM 358 CA ASP A 27 19.945 15.343 4.255 1.00 0.00 C ATOM 359 C ASP A 27 20.016 15.309 2.729 1.00 0.00 C ATOM 360 O ASP A 27 20.964 15.810 2.117 1.00 0.00 O ATOM 361 CB ASP A 27 20.861 14.275 4.859 1.00 0.00 C ATOM 362 CG ASP A 27 22.273 14.314 4.310 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.972 15.329 4.513 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.700 13.315 3.693 1.00 0.00 O ATOM 0 H ASP A 27 18.420 14.237 5.178 1.00 0.00 H new ATOM 0 HA ASP A 27 20.279 16.326 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.896 14.406 5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.433 13.291 4.671 1.00 0.00 H new ATOM 368 N GLY A 28 18.980 14.749 2.127 1.00 0.00 N ATOM 369 CA GLY A 28 18.915 14.638 0.687 1.00 0.00 C ATOM 370 C GLY A 28 19.445 13.306 0.215 1.00 0.00 C ATOM 371 O GLY A 28 19.962 13.192 -0.896 1.00 0.00 O ATOM 0 H GLY A 28 18.173 14.365 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.883 14.759 0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.492 15.443 0.232 1.00 0.00 H new ATOM 375 N ASN A 29 19.319 12.294 1.062 1.00 0.00 N ATOM 376 CA ASN A 29 19.811 10.959 0.728 1.00 0.00 C ATOM 377 C ASN A 29 18.659 9.981 0.568 1.00 0.00 C ATOM 378 O ASN A 29 17.556 10.229 1.048 1.00 0.00 O ATOM 379 CB ASN A 29 20.756 10.451 1.818 1.00 0.00 C ATOM 380 CG ASN A 29 21.729 9.415 1.295 1.00 0.00 C ATOM 381 OD1 ASN A 29 22.075 9.413 0.112 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.185 8.533 2.167 1.00 0.00 N ATOM 0 H ASN A 29 18.883 12.368 1.981 1.00 0.00 H new ATOM 0 HA ASN A 29 20.350 11.029 -0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.312 11.291 2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.172 10.020 2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 29 22.848 7.817 1.869 1.00 0.00 H new ATOM 0 HD22 ASN A 29 21.874 8.568 3.138 1.00 0.00 H new ATOM 388 N TRP A 30 18.919 8.866 -0.100 1.00 0.00 N ATOM 389 CA TRP A 30 17.898 7.853 -0.318 1.00 0.00 C ATOM 390 C TRP A 30 18.052 6.703 0.663 1.00 0.00 C ATOM 391 O TRP A 30 19.044 5.974 0.633 1.00 0.00 O ATOM 392 CB TRP A 30 17.964 7.306 -1.741 1.00 0.00 C ATOM 393 CG TRP A 30 17.641 8.316 -2.793 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.506 8.874 -3.685 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.359 8.890 -3.062 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.838 9.749 -4.500 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.520 9.779 -4.135 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.090 8.737 -2.504 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.463 10.510 -4.661 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.039 9.465 -3.025 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.231 10.343 -4.096 1.00 0.00 C ATOM 0 H TRP A 30 19.830 8.640 -0.501 1.00 0.00 H new ATOM 0 HA TRP A 30 16.931 8.332 -0.161 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.964 6.914 -1.923 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.272 6.469 -1.830 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.563 8.658 -3.741 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.256 10.291 -5.257 1.00 0.00 H new ATOM 0 HE3 TRP A 30 14.932 8.060 -1.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.610 11.188 -5.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.053 9.355 -2.599 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.390 10.899 -4.483 1.00 0.00 H new ATOM 411 N VAL A 31 17.073 6.552 1.531 1.00 0.00 N ATOM 412 CA VAL A 31 17.077 5.482 2.510 1.00 0.00 C ATOM 413 C VAL A 31 15.887 4.556 2.289 1.00 0.00 C ATOM 414 O VAL A 31 14.747 5.007 2.165 1.00 0.00 O ATOM 415 CB VAL A 31 17.072 6.013 3.957 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.481 6.391 4.386 1.00 0.00 C ATOM 417 CG2 VAL A 31 16.149 7.212 4.103 1.00 0.00 C ATOM 0 H VAL A 31 16.257 7.162 1.579 1.00 0.00 H new ATOM 0 HA VAL A 31 18.003 4.924 2.370 1.00 0.00 H new ATOM 0 HB VAL A 31 16.701 5.216 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.462 6.764 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.126 5.514 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.867 7.166 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.168 7.562 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.484 8.011 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.132 6.923 3.837 1.00 0.00 H new ATOM 427 N THR A 32 16.165 3.267 2.219 1.00 0.00 N ATOM 428 CA THR A 32 15.134 2.269 1.999 1.00 0.00 C ATOM 429 C THR A 32 14.310 2.046 3.263 1.00 0.00 C ATOM 430 O THR A 32 14.808 1.520 4.259 1.00 0.00 O ATOM 431 CB THR A 32 15.756 0.932 1.555 1.00 0.00 C ATOM 432 OG1 THR A 32 16.707 1.166 0.506 1.00 0.00 O ATOM 433 CG2 THR A 32 14.686 -0.034 1.067 1.00 0.00 C ATOM 0 H THR A 32 17.106 2.884 2.312 1.00 0.00 H new ATOM 0 HA THR A 32 14.480 2.642 1.211 1.00 0.00 H new ATOM 0 HB THR A 32 16.256 0.486 2.414 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.102 0.314 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.153 -0.970 0.760 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.978 -0.229 1.872 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.160 0.404 0.219 1.00 0.00 H new ATOM 441 N SER A 33 13.053 2.454 3.222 1.00 0.00 N ATOM 442 CA SER A 33 12.162 2.296 4.359 1.00 0.00 C ATOM 443 C SER A 33 10.941 1.469 3.973 1.00 0.00 C ATOM 444 O SER A 33 10.554 1.432 2.801 1.00 0.00 O ATOM 445 CB SER A 33 11.734 3.667 4.879 1.00 0.00 C ATOM 446 OG SER A 33 12.840 4.394 5.393 1.00 0.00 O ATOM 0 H SER A 33 12.625 2.899 2.410 1.00 0.00 H new ATOM 0 HA SER A 33 12.695 1.768 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.267 4.234 4.074 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.983 3.544 5.659 1.00 0.00 H new ATOM 0 HG SER A 33 12.799 5.320 5.075 1.00 0.00 H new ATOM 451 N GLU A 34 10.352 0.796 4.957 1.00 0.00 N ATOM 452 CA GLU A 34 9.178 -0.033 4.722 1.00 0.00 C ATOM 453 C GLU A 34 8.065 0.296 5.708 1.00 0.00 C ATOM 454 O GLU A 34 8.319 0.559 6.884 1.00 0.00 O ATOM 455 CB GLU A 34 9.533 -1.516 4.830 1.00 0.00 C ATOM 456 CG GLU A 34 10.403 -2.022 3.693 1.00 0.00 C ATOM 457 CD GLU A 34 10.656 -3.511 3.777 1.00 0.00 C ATOM 458 OE1 GLU A 34 9.758 -4.300 3.407 1.00 0.00 O ATOM 459 OE2 GLU A 34 11.755 -3.904 4.220 1.00 0.00 O ATOM 0 H GLU A 34 10.670 0.810 5.926 1.00 0.00 H new ATOM 0 HA GLU A 34 8.825 0.179 3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.049 -1.689 5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.613 -2.099 4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.923 -1.791 2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.356 -1.493 3.706 1.00 0.00 H new ATOM 464 N LEU A 35 6.835 0.283 5.216 1.00 0.00 N ATOM 465 CA LEU A 35 5.669 0.565 6.043 1.00 0.00 C ATOM 466 C LEU A 35 4.569 -0.439 5.718 1.00 0.00 C ATOM 467 O LEU A 35 4.271 -0.682 4.547 1.00 0.00 O ATOM 468 CB LEU A 35 5.182 2.001 5.801 1.00 0.00 C ATOM 469 CG LEU A 35 4.306 2.618 6.904 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.885 2.076 6.852 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.919 2.363 8.274 1.00 0.00 C ATOM 0 H LEU A 35 6.617 0.079 4.241 1.00 0.00 H new ATOM 0 HA LEU A 35 5.937 0.472 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.054 2.639 5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.620 2.019 4.867 1.00 0.00 H new ATOM 0 HG LEU A 35 4.261 3.693 6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.292 2.532 7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.441 2.312 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.903 0.995 6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.287 2.806 9.044 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.998 1.289 8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.912 2.811 8.318 1.00 0.00 H new ATOM 482 N ASP A 36 3.980 -1.026 6.751 1.00 0.00 N ATOM 483 CA ASP A 36 2.918 -2.011 6.564 1.00 0.00 C ATOM 484 C ASP A 36 1.570 -1.313 6.500 1.00 0.00 C ATOM 485 O ASP A 36 1.076 -0.804 7.508 1.00 0.00 O ATOM 486 CB ASP A 36 2.906 -3.027 7.709 1.00 0.00 C ATOM 487 CG ASP A 36 4.254 -3.681 7.933 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.739 -4.390 7.035 1.00 0.00 O ATOM 489 OD2 ASP A 36 4.829 -3.498 9.027 1.00 0.00 O ATOM 0 H ASP A 36 4.217 -0.839 7.725 1.00 0.00 H new ATOM 0 HA ASP A 36 3.106 -2.538 5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.593 -2.529 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.165 -3.798 7.496 1.00 0.00 H new ATOM 493 N LEU A 37 0.972 -1.300 5.321 1.00 0.00 N ATOM 494 CA LEU A 37 -0.321 -0.655 5.129 1.00 0.00 C ATOM 495 C LEU A 37 -1.459 -1.542 5.616 1.00 0.00 C ATOM 496 O LEU A 37 -2.548 -1.054 5.916 1.00 0.00 O ATOM 497 CB LEU A 37 -0.544 -0.327 3.655 1.00 0.00 C ATOM 498 CG LEU A 37 0.703 0.067 2.871 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.332 0.375 1.434 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.389 1.257 3.520 1.00 0.00 C ATOM 0 H LEU A 37 1.359 -1.728 4.480 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.314 0.265 5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.995 -1.194 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.266 0.487 3.588 1.00 0.00 H new ATOM 0 HG LEU A 37 1.404 -0.768 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.227 0.656 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.116 -0.507 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.382 1.198 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.277 1.523 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.704 2.104 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.680 0.999 4.538 1.00 0.00 H new ATOM 511 N ASP A 38 -1.198 -2.841 5.723 1.00 0.00 N ATOM 512 CA ASP A 38 -2.219 -3.798 6.158 1.00 0.00 C ATOM 513 C ASP A 38 -2.627 -3.558 7.606 1.00 0.00 C ATOM 514 O ASP A 38 -3.545 -4.202 8.113 1.00 0.00 O ATOM 515 CB ASP A 38 -1.724 -5.236 6.001 1.00 0.00 C ATOM 516 CG ASP A 38 -0.656 -5.596 7.010 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.509 -5.207 6.802 1.00 0.00 O ATOM 518 OD2 ASP A 38 -0.982 -6.268 8.010 1.00 0.00 O ATOM 0 H ASP A 38 -0.291 -3.258 5.516 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.090 -3.648 5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.566 -5.920 6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.329 -5.373 4.994 1.00 0.00 H new ATOM 522 N THR A 39 -1.941 -2.643 8.266 1.00 0.00 N ATOM 523 CA THR A 39 -2.239 -2.315 9.644 1.00 0.00 C ATOM 524 C THR A 39 -3.420 -1.351 9.724 1.00 0.00 C ATOM 525 O THR A 39 -4.077 -1.243 10.761 1.00 0.00 O ATOM 526 CB THR A 39 -1.017 -1.687 10.335 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.604 -0.510 9.625 1.00 0.00 O ATOM 528 CG2 THR A 39 0.134 -2.678 10.393 1.00 0.00 C ATOM 0 H THR A 39 -1.169 -2.112 7.864 1.00 0.00 H new ATOM 0 HA THR A 39 -2.497 -3.241 10.157 1.00 0.00 H new ATOM 0 HB THR A 39 -1.298 -1.417 11.353 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.070 -0.751 8.955 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.989 -2.214 10.885 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.174 -3.560 10.954 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.413 -2.971 9.381 1.00 0.00 H new ATOM 536 N CYS A 40 -3.688 -0.655 8.623 1.00 0.00 N ATOM 537 CA CYS A 40 -4.788 0.296 8.582 1.00 0.00 C ATOM 538 C CYS A 40 -5.695 0.057 7.373 1.00 0.00 C ATOM 539 O CYS A 40 -6.779 0.627 7.290 1.00 0.00 O ATOM 540 CB CYS A 40 -4.256 1.730 8.573 1.00 0.00 C ATOM 541 SG CYS A 40 -5.543 2.990 8.734 1.00 0.00 S ATOM 0 H CYS A 40 -3.161 -0.733 7.753 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.386 0.147 9.481 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.542 1.847 9.388 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.710 1.899 7.645 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.994 4.143 8.978 1.00 0.00 H new ATOM 546 N ILE A 41 -5.263 -0.773 6.434 1.00 0.00 N ATOM 547 CA ILE A 41 -6.086 -1.066 5.269 1.00 0.00 C ATOM 548 C ILE A 41 -6.787 -2.403 5.448 1.00 0.00 C ATOM 549 O ILE A 41 -6.149 -3.408 5.769 1.00 0.00 O ATOM 550 CB ILE A 41 -5.276 -1.099 3.952 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.564 0.231 3.719 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.193 -1.417 2.776 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.801 0.288 2.412 1.00 0.00 C ATOM 0 H ILE A 41 -4.361 -1.249 6.454 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.812 -0.257 5.192 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.522 -1.882 4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.299 1.035 3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.873 0.413 4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.610 -1.437 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.660 -2.390 2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.966 -0.652 2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.321 1.261 2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.042 -0.494 2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.491 0.138 1.581 1.00 0.00 H new ATOM 564 N GLY A 42 -8.094 -2.410 5.250 1.00 0.00 N ATOM 565 CA GLY A 42 -8.856 -3.628 5.383 1.00 0.00 C ATOM 566 C GLY A 42 -9.902 -3.746 4.305 1.00 0.00 C ATOM 567 O GLY A 42 -10.347 -2.734 3.760 1.00 0.00 O ATOM 0 H GLY A 42 -8.642 -1.588 4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.185 -4.485 5.335 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.336 -3.653 6.361 1.00 0.00 H new ATOM 571 N ASN A 43 -10.290 -4.974 3.988 1.00 0.00 N ATOM 572 CA ASN A 43 -11.285 -5.209 2.948 1.00 0.00 C ATOM 573 C ASN A 43 -11.937 -6.600 3.038 1.00 0.00 C ATOM 574 O ASN A 43 -12.142 -7.244 2.009 1.00 0.00 O ATOM 575 CB ASN A 43 -10.619 -5.055 1.579 1.00 0.00 C ATOM 576 CG ASN A 43 -9.520 -6.075 1.337 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.912 -6.595 2.268 1.00 0.00 O ATOM 578 ND2 ASN A 43 -9.245 -6.347 0.079 1.00 0.00 N ATOM 0 H ASN A 43 -9.934 -5.820 4.433 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.078 -4.475 3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.375 -5.152 0.800 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.201 -4.052 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.504 -7.010 -0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.772 -5.895 -0.668 1.00 0.00 H new ATOM 584 N PRO A 44 -12.332 -7.079 4.239 1.00 0.00 N ATOM 585 CA PRO A 44 -12.946 -8.407 4.369 1.00 0.00 C ATOM 586 C PRO A 44 -14.355 -8.443 3.781 1.00 0.00 C ATOM 587 O PRO A 44 -14.907 -9.509 3.516 1.00 0.00 O ATOM 588 CB PRO A 44 -12.984 -8.639 5.879 1.00 0.00 C ATOM 589 CG PRO A 44 -13.030 -7.276 6.470 1.00 0.00 C ATOM 590 CD PRO A 44 -12.248 -6.387 5.542 1.00 0.00 C ATOM 0 HA PRO A 44 -12.390 -9.173 3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.856 -9.225 6.168 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.105 -9.188 6.217 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.059 -6.929 6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.597 -7.271 7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.676 -5.386 5.492 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.215 -6.276 5.870 1.00 0.00 H new ATOM 595 N ASN A 45 -14.921 -7.261 3.581 1.00 0.00 N ATOM 596 CA ASN A 45 -16.263 -7.126 3.020 1.00 0.00 C ATOM 597 C ASN A 45 -16.201 -7.057 1.501 1.00 0.00 C ATOM 598 O ASN A 45 -17.223 -7.126 0.816 1.00 0.00 O ATOM 599 CB ASN A 45 -16.947 -5.866 3.561 1.00 0.00 C ATOM 600 CG ASN A 45 -17.154 -5.907 5.054 1.00 0.00 C ATOM 601 OD1 ASN A 45 -16.257 -5.565 5.829 1.00 0.00 O ATOM 602 ND2 ASN A 45 -18.337 -6.292 5.472 1.00 0.00 N ATOM 0 H ASN A 45 -14.469 -6.373 3.800 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.842 -8.001 3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.345 -4.994 3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.912 -5.742 3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.542 -6.316 6.471 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -19.051 -6.567 4.798 1.00 0.00 H new ATOM 608 N GLY A 46 -14.993 -6.930 0.973 1.00 0.00 N ATOM 609 CA GLY A 46 -14.825 -6.842 -0.457 1.00 0.00 C ATOM 610 C GLY A 46 -14.577 -5.424 -0.925 1.00 0.00 C ATOM 611 O GLY A 46 -14.543 -5.155 -2.124 1.00 0.00 O ATOM 0 H GLY A 46 -14.128 -6.887 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.990 -7.473 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.716 -7.233 -0.949 1.00 0.00 H new ATOM 615 N PHE A 47 -14.417 -4.508 0.020 1.00 0.00 N ATOM 616 CA PHE A 47 -14.169 -3.114 -0.309 1.00 0.00 C ATOM 617 C PHE A 47 -12.904 -2.616 0.367 1.00 0.00 C ATOM 618 O PHE A 47 -12.691 -2.856 1.553 1.00 0.00 O ATOM 619 CB PHE A 47 -15.361 -2.247 0.086 1.00 0.00 C ATOM 620 CG PHE A 47 -16.613 -2.601 -0.657 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.689 -2.425 -2.030 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.716 -3.105 0.014 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.842 -2.747 -2.719 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.870 -3.429 -0.670 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.933 -3.248 -2.039 1.00 0.00 C ATOM 0 H PHE A 47 -14.455 -4.706 1.020 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.032 -3.041 -1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.539 -2.349 1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.119 -1.200 -0.098 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.838 -2.032 -2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.672 -3.246 1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.889 -2.607 -3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.722 -3.823 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.836 -3.499 -2.576 1.00 0.00 H new ATOM 634 N LEU A 48 -12.085 -1.918 -0.400 1.00 0.00 N ATOM 635 CA LEU A 48 -10.820 -1.382 0.086 1.00 0.00 C ATOM 636 C LEU A 48 -11.021 -0.049 0.789 1.00 0.00 C ATOM 637 O LEU A 48 -11.896 0.733 0.418 1.00 0.00 O ATOM 638 CB LEU A 48 -9.864 -1.191 -1.096 1.00 0.00 C ATOM 639 CG LEU A 48 -9.348 -2.477 -1.736 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.534 -2.156 -2.976 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.512 -3.264 -0.745 1.00 0.00 C ATOM 0 H LEU A 48 -12.276 -1.705 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.400 -2.088 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.372 -0.603 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.009 -0.605 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.203 -3.087 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.172 -3.082 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.159 -1.626 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.685 -1.529 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.152 -4.178 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.662 -2.661 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.121 -3.520 0.122 1.00 0.00 H new ATOM 652 N GLY A 49 -10.213 0.204 1.806 1.00 0.00 N ATOM 653 CA GLY A 49 -10.306 1.454 2.524 1.00 0.00 C ATOM 654 C GLY A 49 -9.461 1.462 3.775 1.00 0.00 C ATOM 655 O GLY A 49 -8.937 0.423 4.188 1.00 0.00 O ATOM 0 H GLY A 49 -9.495 -0.435 2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.993 2.269 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.346 1.641 2.790 1.00 0.00 H new ATOM 659 N TRP A 50 -9.328 2.634 4.378 1.00 0.00 N ATOM 660 CA TRP A 50 -8.542 2.780 5.591 1.00 0.00 C ATOM 661 C TRP A 50 -9.447 2.690 6.814 1.00 0.00 C ATOM 662 O TRP A 50 -10.428 3.424 6.928 1.00 0.00 O ATOM 663 CB TRP A 50 -7.795 4.122 5.590 1.00 0.00 C ATOM 664 CG TRP A 50 -6.800 4.263 4.473 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.027 4.774 3.226 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.416 3.893 4.506 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.867 4.747 2.487 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.868 4.207 3.247 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.587 3.329 5.476 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.531 3.971 2.935 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.262 3.095 5.167 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.745 3.414 3.905 1.00 0.00 C ATOM 0 H TRP A 50 -9.756 3.498 4.045 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.810 1.973 5.628 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.522 4.931 5.521 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.277 4.239 6.542 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -7.978 5.145 2.872 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.769 5.077 1.527 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.975 3.080 6.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.130 4.219 1.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.613 2.658 5.911 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.705 3.216 3.694 1.00 0.00 H new ATOM 682 N GLY A 51 -9.115 1.778 7.714 1.00 0.00 N ATOM 683 CA GLY A 51 -9.893 1.595 8.921 1.00 0.00 C ATOM 684 C GLY A 51 -9.637 0.242 9.556 1.00 0.00 C ATOM 685 O GLY A 51 -9.170 0.158 10.693 1.00 0.00 O ATOM 0 H GLY A 51 -8.312 1.155 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.649 2.383 9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.953 1.693 8.688 1.00 0.00 H new ATOM 689 N MET A 52 -9.922 -0.817 8.810 1.00 0.00 N ATOM 690 CA MET A 52 -9.726 -2.180 9.297 1.00 0.00 C ATOM 691 C MET A 52 -8.291 -2.635 9.025 1.00 0.00 C ATOM 692 O MET A 52 -7.416 -1.806 8.797 1.00 0.00 O ATOM 693 CB MET A 52 -10.732 -3.115 8.626 1.00 0.00 C ATOM 694 CG MET A 52 -11.539 -3.935 9.620 1.00 0.00 C ATOM 695 SD MET A 52 -12.889 -4.838 8.839 1.00 0.00 S ATOM 696 CE MET A 52 -13.585 -5.692 10.252 1.00 0.00 C ATOM 0 H MET A 52 -10.291 -0.760 7.861 1.00 0.00 H new ATOM 0 HA MET A 52 -9.891 -2.207 10.374 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.413 -2.526 8.012 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.200 -3.789 7.955 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.879 -4.641 10.124 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.944 -3.274 10.386 1.00 0.00 H new ATOM 0 HE1 MET A 52 -14.434 -6.296 9.930 1.00 0.00 H new ATOM 0 HE2 MET A 52 -12.828 -6.338 10.696 1.00 0.00 H new ATOM 0 HE3 MET A 52 -13.918 -4.962 10.990 1.00 0.00 H new ATOM 704 N GLN A 53 -8.039 -3.938 9.065 1.00 0.00 N ATOM 705 CA GLN A 53 -6.690 -4.446 8.827 1.00 0.00 C ATOM 706 C GLN A 53 -6.713 -5.809 8.143 1.00 0.00 C ATOM 707 O GLN A 53 -7.783 -6.389 7.937 1.00 0.00 O ATOM 708 CB GLN A 53 -5.919 -4.539 10.147 1.00 0.00 C ATOM 709 CG GLN A 53 -6.618 -5.376 11.203 1.00 0.00 C ATOM 710 CD GLN A 53 -5.739 -5.646 12.404 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.788 -4.770 13.393 1.00 0.00 O flip ATOM 712 NE2 GLN A 53 -5.016 -6.639 12.442 1.00 0.00 N flip ATOM 0 H GLN A 53 -8.739 -4.655 9.257 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.187 -3.745 8.161 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.934 -4.963 9.953 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.762 -3.534 10.538 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.523 -4.863 11.528 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.929 -6.324 10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.006 -7.293 11.659 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.426 -6.810 13.257 1.00 0.00 H new ATOM 719 N ASN A 54 -5.519 -6.301 7.798 1.00 0.00 N ATOM 720 CA ASN A 54 -5.345 -7.605 7.145 1.00 0.00 C ATOM 721 C ASN A 54 -6.015 -7.659 5.777 1.00 0.00 C ATOM 722 O ASN A 54 -6.822 -8.547 5.496 1.00 0.00 O ATOM 723 CB ASN A 54 -5.856 -8.745 8.035 1.00 0.00 C ATOM 724 CG ASN A 54 -4.881 -9.100 9.141 1.00 0.00 C ATOM 725 OD1 ASN A 54 -5.088 -8.551 10.324 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.954 -9.884 8.936 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.643 -5.806 7.964 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.274 -7.736 6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.811 -8.458 8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.040 -9.626 7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.824 -10.289 8.009 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.316 -10.128 9.693 1.00 0.00 H new ATOM 732 N PHE A 55 -5.668 -6.705 4.927 1.00 0.00 N ATOM 733 CA PHE A 55 -6.212 -6.653 3.578 1.00 0.00 C ATOM 734 C PHE A 55 -5.359 -7.497 2.633 1.00 0.00 C ATOM 735 O PHE A 55 -5.793 -7.861 1.543 1.00 0.00 O ATOM 736 CB PHE A 55 -6.269 -5.202 3.075 1.00 0.00 C ATOM 737 CG PHE A 55 -4.994 -4.715 2.433 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.869 -4.451 3.196 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.926 -4.521 1.060 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.703 -4.003 2.605 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.762 -4.074 0.465 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.649 -3.816 1.239 1.00 0.00 C ATOM 0 H PHE A 55 -5.012 -5.956 5.147 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.225 -7.056 3.600 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.082 -5.112 2.354 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.512 -4.549 3.913 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.903 -4.597 4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.794 -4.722 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.834 -3.799 3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.723 -3.927 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.737 -3.468 0.776 1.00 0.00 H new ATOM 751 N SER A 56 -4.146 -7.806 3.078 1.00 0.00 N ATOM 752 CA SER A 56 -3.183 -8.563 2.288 1.00 0.00 C ATOM 753 C SER A 56 -3.726 -9.907 1.801 1.00 0.00 C ATOM 754 O SER A 56 -3.737 -10.175 0.599 1.00 0.00 O ATOM 755 CB SER A 56 -1.913 -8.765 3.115 1.00 0.00 C ATOM 756 OG SER A 56 -2.227 -9.141 4.447 1.00 0.00 O ATOM 0 H SER A 56 -3.802 -7.537 4.000 1.00 0.00 H new ATOM 0 HA SER A 56 -2.965 -7.985 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.293 -9.533 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.329 -7.845 3.121 1.00 0.00 H new ATOM 0 HG SER A 56 -1.399 -9.266 4.956 1.00 0.00 H new ATOM 761 N HIS A 57 -4.192 -10.743 2.718 1.00 0.00 N ATOM 762 CA HIS A 57 -4.713 -12.056 2.340 1.00 0.00 C ATOM 763 C HIS A 57 -6.145 -11.957 1.835 1.00 0.00 C ATOM 764 O HIS A 57 -6.687 -12.912 1.278 1.00 0.00 O ATOM 765 CB HIS A 57 -4.629 -13.043 3.509 1.00 0.00 C ATOM 766 CG HIS A 57 -3.227 -13.426 3.873 1.00 0.00 C ATOM 767 ND1 HIS A 57 -2.612 -13.022 5.036 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.320 -14.187 3.217 1.00 0.00 C ATOM 769 CE1 HIS A 57 -1.391 -13.516 5.080 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.186 -14.228 3.988 1.00 0.00 N ATOM 0 H HIS A 57 -4.222 -10.543 3.718 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.089 -12.431 1.529 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.114 -12.603 4.380 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.188 -13.943 3.254 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.463 -14.672 2.263 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.678 -13.364 5.876 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.327 -14.726 3.756 1.00 0.00 H new ATOM 778 N SER A 58 -6.749 -10.795 2.009 1.00 0.00 N ATOM 779 CA SER A 58 -8.116 -10.578 1.569 1.00 0.00 C ATOM 780 C SER A 58 -8.144 -9.919 0.190 1.00 0.00 C ATOM 781 O SER A 58 -9.180 -9.427 -0.255 1.00 0.00 O ATOM 782 CB SER A 58 -8.861 -9.716 2.590 1.00 0.00 C ATOM 783 OG SER A 58 -8.716 -10.249 3.897 1.00 0.00 O ATOM 0 H SER A 58 -6.314 -9.986 2.452 1.00 0.00 H new ATOM 0 HA SER A 58 -8.614 -11.544 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.476 -8.697 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.918 -9.665 2.328 1.00 0.00 H new ATOM 0 HG SER A 58 -8.096 -9.690 4.411 1.00 0.00 H new ATOM 788 N SER A 59 -7.006 -9.925 -0.495 1.00 0.00 N ATOM 789 CA SER A 59 -6.915 -9.322 -1.817 1.00 0.00 C ATOM 790 C SER A 59 -6.136 -10.205 -2.782 1.00 0.00 C ATOM 791 O SER A 59 -5.284 -10.993 -2.373 1.00 0.00 O ATOM 792 CB SER A 59 -6.224 -7.962 -1.734 1.00 0.00 C ATOM 793 OG SER A 59 -6.848 -7.119 -0.790 1.00 0.00 O ATOM 0 H SER A 59 -6.137 -10.339 -0.157 1.00 0.00 H new ATOM 0 HA SER A 59 -7.933 -9.205 -2.188 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.177 -8.101 -1.463 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.239 -7.485 -2.714 1.00 0.00 H new ATOM 0 HG SER A 59 -6.383 -7.190 0.070 1.00 0.00 H new ATOM 798 N GLU A 60 -6.448 -10.068 -4.062 1.00 0.00 N ATOM 799 CA GLU A 60 -5.768 -10.811 -5.109 1.00 0.00 C ATOM 800 C GLU A 60 -5.089 -9.840 -6.060 1.00 0.00 C ATOM 801 O GLU A 60 -5.611 -8.753 -6.303 1.00 0.00 O ATOM 802 CB GLU A 60 -6.752 -11.680 -5.890 1.00 0.00 C ATOM 803 CG GLU A 60 -7.483 -12.697 -5.039 1.00 0.00 C ATOM 804 CD GLU A 60 -6.548 -13.635 -4.307 1.00 0.00 C ATOM 805 OE1 GLU A 60 -5.616 -14.168 -4.941 1.00 0.00 O ATOM 806 OE2 GLU A 60 -6.754 -13.867 -3.096 1.00 0.00 O ATOM 0 H GLU A 60 -7.177 -9.441 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.026 -11.460 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.484 -11.035 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.212 -12.203 -6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.107 -12.175 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.151 -13.280 -5.673 1.00 0.00 H new ATOM 811 N ASP A 61 -3.939 -10.240 -6.586 1.00 0.00 N ATOM 812 CA ASP A 61 -3.166 -9.414 -7.525 1.00 0.00 C ATOM 813 C ASP A 61 -2.966 -7.991 -6.994 1.00 0.00 C ATOM 814 O ASP A 61 -3.609 -7.041 -7.441 1.00 0.00 O ATOM 815 CB ASP A 61 -3.854 -9.388 -8.895 1.00 0.00 C ATOM 816 CG ASP A 61 -3.089 -8.582 -9.925 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.905 -8.897 -10.182 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.670 -7.636 -10.498 1.00 0.00 O ATOM 0 H ASP A 61 -3.510 -11.142 -6.379 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.179 -9.863 -7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.972 -10.410 -9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.855 -8.971 -8.785 1.00 0.00 H new ATOM 822 N ILE A 62 -2.080 -7.860 -6.021 1.00 0.00 N ATOM 823 CA ILE A 62 -1.786 -6.563 -5.421 1.00 0.00 C ATOM 824 C ILE A 62 -0.622 -5.890 -6.146 1.00 0.00 C ATOM 825 O ILE A 62 0.505 -6.394 -6.129 1.00 0.00 O ATOM 826 CB ILE A 62 -1.447 -6.709 -3.921 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.629 -7.329 -3.168 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.075 -5.361 -3.317 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.356 -7.585 -1.700 1.00 0.00 C ATOM 0 H ILE A 62 -1.549 -8.636 -5.627 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.677 -5.943 -5.518 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.587 -7.371 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.491 -6.668 -3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.899 -8.270 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.840 -5.488 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.206 -4.957 -3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.913 -4.672 -3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.240 -8.024 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.515 -8.271 -1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.117 -6.644 -1.205 1.00 0.00 H new ATOM 840 N LYS A 63 -0.889 -4.756 -6.791 1.00 0.00 N ATOM 841 CA LYS A 63 0.153 -4.045 -7.521 1.00 0.00 C ATOM 842 C LYS A 63 -0.093 -2.533 -7.522 1.00 0.00 C ATOM 843 O LYS A 63 -1.235 -2.075 -7.449 1.00 0.00 O ATOM 844 CB LYS A 63 0.219 -4.568 -8.957 1.00 0.00 C ATOM 845 CG LYS A 63 1.575 -4.387 -9.618 1.00 0.00 C ATOM 846 CD LYS A 63 2.671 -5.090 -8.831 1.00 0.00 C ATOM 847 CE LYS A 63 3.964 -5.181 -9.625 1.00 0.00 C ATOM 848 NZ LYS A 63 3.811 -6.042 -10.827 1.00 0.00 N ATOM 0 H LYS A 63 -1.808 -4.315 -6.822 1.00 0.00 H new ATOM 0 HA LYS A 63 1.104 -4.225 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.036 -5.628 -8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.536 -4.057 -9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.543 -4.782 -10.633 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.805 -3.324 -9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.853 -4.552 -7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.339 -6.092 -8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.275 -4.182 -9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.754 -5.580 -8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.748 -6.358 -11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.229 -6.871 -10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.349 -5.501 -11.585 1.00 0.00 H new ATOM 858 N LEU A 64 0.991 -1.767 -7.596 1.00 0.00 N ATOM 859 CA LEU A 64 0.918 -0.307 -7.621 1.00 0.00 C ATOM 860 C LEU A 64 0.788 0.194 -9.056 1.00 0.00 C ATOM 861 O LEU A 64 1.567 -0.197 -9.928 1.00 0.00 O ATOM 862 CB LEU A 64 2.177 0.289 -6.980 1.00 0.00 C ATOM 863 CG LEU A 64 2.342 0.010 -5.485 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.763 0.321 -5.034 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.345 0.832 -4.687 1.00 0.00 C ATOM 0 H LEU A 64 1.941 -2.137 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 64 0.040 0.007 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.050 -0.099 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.167 1.368 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 64 2.150 -1.048 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.859 0.116 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.465 -0.302 -5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.983 1.372 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.471 0.626 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.516 1.892 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.331 0.569 -4.990 1.00 0.00 H new ATOM 876 N GLU A 65 -0.189 1.066 -9.295 1.00 0.00 N ATOM 877 CA GLU A 65 -0.416 1.609 -10.634 1.00 0.00 C ATOM 878 C GLU A 65 0.448 2.830 -10.884 1.00 0.00 C ATOM 879 O GLU A 65 1.230 2.872 -11.832 1.00 0.00 O ATOM 880 CB GLU A 65 -1.874 2.013 -10.834 1.00 0.00 C ATOM 881 CG GLU A 65 -2.860 0.891 -10.626 1.00 0.00 C ATOM 882 CD GLU A 65 -3.977 0.918 -11.646 1.00 0.00 C ATOM 883 OE1 GLU A 65 -5.002 1.587 -11.404 1.00 0.00 O ATOM 884 OE2 GLU A 65 -3.831 0.278 -12.706 1.00 0.00 O ATOM 0 H GLU A 65 -0.834 1.411 -8.584 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.155 0.817 -11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.113 2.824 -10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.995 2.406 -11.843 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.339 -0.065 -10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.283 0.962 -9.624 1.00 0.00 H new ATOM 889 N GLU A 66 0.298 3.826 -10.023 1.00 0.00 N ATOM 890 CA GLU A 66 1.049 5.066 -10.150 1.00 0.00 C ATOM 891 C GLU A 66 2.516 4.861 -9.790 1.00 0.00 C ATOM 892 O GLU A 66 3.335 5.769 -9.923 1.00 0.00 O ATOM 893 CB GLU A 66 0.447 6.148 -9.257 1.00 0.00 C ATOM 894 CG GLU A 66 -1.064 6.258 -9.364 1.00 0.00 C ATOM 895 CD GLU A 66 -1.559 6.275 -10.794 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.270 7.246 -11.518 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.246 5.313 -11.193 1.00 0.00 O ATOM 0 H GLU A 66 -0.339 3.799 -9.227 1.00 0.00 H new ATOM 0 HA GLU A 66 0.989 5.384 -11.191 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.715 5.942 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.892 7.109 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.521 5.420 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.392 7.168 -8.861 1.00 0.00 H new ATOM 902 N GLY A 67 2.837 3.665 -9.320 1.00 0.00 N ATOM 903 CA GLY A 67 4.196 3.356 -8.935 1.00 0.00 C ATOM 904 C GLY A 67 4.416 3.550 -7.454 1.00 0.00 C ATOM 905 O GLY A 67 5.513 3.330 -6.948 1.00 0.00 O ATOM 0 H GLY A 67 2.175 2.899 -9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.425 2.325 -9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.885 3.991 -9.491 1.00 0.00 H new ATOM 909 N GLY A 68 3.365 3.962 -6.755 1.00 0.00 N ATOM 910 CA GLY A 68 3.472 4.176 -5.329 1.00 0.00 C ATOM 911 C GLY A 68 2.319 4.989 -4.775 1.00 0.00 C ATOM 912 O GLY A 68 1.827 4.712 -3.686 1.00 0.00 O ATOM 0 H GLY A 68 2.444 4.151 -7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.509 3.212 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.410 4.687 -5.111 1.00 0.00 H new ATOM 916 N ARG A 69 1.893 6.002 -5.522 1.00 0.00 N ATOM 917 CA ARG A 69 0.783 6.861 -5.102 1.00 0.00 C ATOM 918 C ARG A 69 -0.529 6.084 -4.958 1.00 0.00 C ATOM 919 O ARG A 69 -1.349 6.395 -4.093 1.00 0.00 O ATOM 920 CB ARG A 69 0.576 7.999 -6.107 1.00 0.00 C ATOM 921 CG ARG A 69 1.625 9.101 -6.052 1.00 0.00 C ATOM 922 CD ARG A 69 1.435 10.008 -4.844 1.00 0.00 C ATOM 923 NE ARG A 69 1.616 11.414 -5.199 1.00 0.00 N ATOM 924 CZ ARG A 69 0.929 12.421 -4.657 1.00 0.00 C ATOM 925 NH1 ARG A 69 0.082 12.195 -3.657 1.00 0.00 N ATOM 926 NH2 ARG A 69 1.109 13.659 -5.097 1.00 0.00 N ATOM 0 H ARG A 69 2.298 6.252 -6.424 1.00 0.00 H new ATOM 0 HA ARG A 69 1.052 7.265 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.564 7.579 -7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.405 8.442 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.619 8.654 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.574 9.696 -6.964 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.437 9.861 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.147 9.733 -4.065 1.00 0.00 H new ATOM 0 HE ARG A 69 2.314 11.640 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.045 11.248 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.441 12.969 -3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.773 13.841 -5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.584 14.429 -4.683 1.00 0.00 H new ATOM 937 N LYS A 70 -0.727 5.069 -5.795 1.00 0.00 N ATOM 938 CA LYS A 70 -1.963 4.296 -5.756 1.00 0.00 C ATOM 939 C LYS A 70 -1.701 2.799 -5.839 1.00 0.00 C ATOM 940 O LYS A 70 -0.866 2.344 -6.626 1.00 0.00 O ATOM 941 CB LYS A 70 -2.864 4.712 -6.915 1.00 0.00 C ATOM 942 CG LYS A 70 -4.325 4.326 -6.726 1.00 0.00 C ATOM 943 CD LYS A 70 -5.149 4.620 -7.968 1.00 0.00 C ATOM 944 CE LYS A 70 -4.747 3.714 -9.118 1.00 0.00 C ATOM 945 NZ LYS A 70 -5.537 3.973 -10.350 1.00 0.00 N ATOM 0 H LYS A 70 -0.056 4.766 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.450 4.501 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.797 5.792 -7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.493 4.256 -7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.393 3.265 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.739 4.871 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.208 4.484 -7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.016 5.662 -8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.688 3.854 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.877 2.674 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.696 3.078 -10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.453 4.393 -10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.016 4.630 -10.965 1.00 0.00 H new ATOM 955 N LEU A 71 -2.445 2.045 -5.043 1.00 0.00 N ATOM 956 CA LEU A 71 -2.330 0.596 -5.008 1.00 0.00 C ATOM 957 C LEU A 71 -3.650 -0.026 -5.446 1.00 0.00 C ATOM 958 O LEU A 71 -4.717 0.392 -4.995 1.00 0.00 O ATOM 959 CB LEU A 71 -1.959 0.140 -3.587 1.00 0.00 C ATOM 960 CG LEU A 71 -1.712 -1.361 -3.393 1.00 0.00 C ATOM 961 CD1 LEU A 71 -0.753 -1.590 -2.235 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.018 -2.099 -3.123 1.00 0.00 C ATOM 0 H LEU A 71 -3.145 2.421 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.545 0.271 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.061 0.676 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.758 0.444 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.274 -1.750 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.586 -2.659 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.196 -1.097 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.181 -1.178 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.815 -3.161 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.480 -1.701 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.694 -1.963 -3.967 1.00 0.00 H new ATOM 973 N THR A 72 -3.586 -0.998 -6.336 1.00 0.00 N ATOM 974 CA THR A 72 -4.789 -1.661 -6.806 1.00 0.00 C ATOM 975 C THR A 72 -4.690 -3.164 -6.622 1.00 0.00 C ATOM 976 O THR A 72 -3.613 -3.750 -6.758 1.00 0.00 O ATOM 977 CB THR A 72 -5.082 -1.353 -8.283 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.896 -1.524 -9.068 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.620 0.061 -8.446 1.00 0.00 C ATOM 0 H THR A 72 -2.719 -1.345 -6.747 1.00 0.00 H new ATOM 0 HA THR A 72 -5.610 -1.272 -6.204 1.00 0.00 H new ATOM 0 HB THR A 72 -5.843 -2.050 -8.633 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.125 -1.484 -10.020 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.820 0.255 -9.500 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.543 0.167 -7.876 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.883 0.775 -8.079 1.00 0.00 H new ATOM 987 N CYS A 73 -5.816 -3.770 -6.311 1.00 0.00 N ATOM 988 CA CYS A 73 -5.897 -5.200 -6.105 1.00 0.00 C ATOM 989 C CYS A 73 -7.350 -5.624 -6.193 1.00 0.00 C ATOM 990 O CYS A 73 -8.237 -4.788 -6.345 1.00 0.00 O ATOM 991 CB CYS A 73 -5.318 -5.573 -4.737 1.00 0.00 C ATOM 992 SG CYS A 73 -6.098 -4.723 -3.343 1.00 0.00 S ATOM 0 H CYS A 73 -6.704 -3.283 -6.194 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.317 -5.714 -6.871 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.418 -6.649 -4.594 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.251 -5.349 -4.733 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.541 -5.108 -2.233 1.00 0.00 H new ATOM 997 N ARG A 74 -7.603 -6.908 -6.121 1.00 0.00 N ATOM 998 CA ARG A 74 -8.963 -7.390 -6.167 1.00 0.00 C ATOM 999 C ARG A 74 -9.365 -7.914 -4.800 1.00 0.00 C ATOM 1000 O ARG A 74 -9.023 -9.036 -4.426 1.00 0.00 O ATOM 1001 CB ARG A 74 -9.122 -8.466 -7.238 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.522 -9.057 -7.315 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.597 -10.188 -8.326 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.940 -10.757 -8.405 1.00 0.00 N ATOM 1005 CZ ARG A 74 -12.194 -12.041 -8.663 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.203 -12.889 -8.900 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.446 -12.478 -8.698 1.00 0.00 N ATOM 0 H ARG A 74 -6.892 -7.634 -6.031 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.623 -6.565 -6.433 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.864 -8.040 -8.208 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.410 -9.268 -7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.816 -9.426 -6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.232 -8.277 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.301 -9.818 -9.308 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.887 -10.968 -8.052 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.733 -10.134 -8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.237 -12.561 -8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.406 -13.869 -9.096 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.217 -11.832 -8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.638 -13.460 -8.895 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.071 -7.081 -4.026 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.541 -7.445 -2.695 1.00 0.00 C ATOM 1020 C PRO A 75 -11.538 -8.582 -2.783 1.00 0.00 C ATOM 1021 O PRO A 75 -12.491 -8.508 -3.556 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.226 -6.172 -2.186 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.562 -5.402 -3.412 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.479 -5.720 -4.401 1.00 0.00 C ATOM 0 HA PRO A 75 -9.738 -7.783 -2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.121 -6.408 -1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.566 -5.603 -1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.541 -5.688 -3.798 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.601 -4.333 -3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.845 -5.678 -5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.649 -5.017 -4.330 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.297 -9.639 -2.029 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.181 -10.785 -2.041 1.00 0.00 C ATOM 1031 C LYS A 76 -12.763 -11.059 -0.661 1.00 0.00 C ATOM 1032 O LYS A 76 -12.124 -10.806 0.359 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.451 -12.015 -2.597 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.097 -12.322 -1.958 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.230 -13.035 -0.619 1.00 0.00 C ATOM 1036 CE LYS A 76 -9.435 -14.332 -0.584 1.00 0.00 C ATOM 1037 NZ LYS A 76 -7.973 -14.115 -0.764 1.00 0.00 N ATOM 0 H LYS A 76 -10.497 -9.726 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.020 -10.559 -2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.096 -12.885 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.304 -11.875 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.510 -12.940 -2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.547 -11.392 -1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.885 -12.377 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.281 -13.248 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.609 -14.834 0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.799 -14.997 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.462 -14.995 -0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.782 -13.836 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.652 -13.362 -0.122 1.00 0.00 H new ATOM 1047 N THR A 77 -13.989 -11.566 -0.634 1.00 0.00 N ATOM 1048 CA THR A 77 -14.641 -11.889 0.618 1.00 0.00 C ATOM 1049 C THR A 77 -14.159 -13.240 1.097 1.00 0.00 C ATOM 1050 O THR A 77 -13.969 -14.157 0.289 1.00 0.00 O ATOM 1051 CB THR A 77 -16.178 -11.929 0.492 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.758 -12.089 1.785 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.637 -13.078 -0.399 1.00 0.00 C ATOM 0 H THR A 77 -14.547 -11.760 -1.466 1.00 0.00 H new ATOM 0 HA THR A 77 -14.384 -11.103 1.328 1.00 0.00 H new ATOM 0 HB THR A 77 -16.500 -10.991 0.041 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.554 -12.657 1.719 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.725 -13.075 -0.465 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.213 -12.957 -1.396 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.302 -14.024 0.026 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.972 -13.355 2.402 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.509 -14.590 3.014 1.00 0.00 C ATOM 1063 C VAL A 78 -14.613 -15.644 3.041 1.00 0.00 C ATOM 1064 O VAL A 78 -14.366 -16.801 3.376 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.990 -14.345 4.446 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.737 -13.484 4.412 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -14.068 -13.698 5.306 1.00 0.00 C ATOM 0 H VAL A 78 -14.136 -12.597 3.065 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.687 -14.961 2.402 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.736 -15.306 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.381 -13.319 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.963 -13.990 3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.967 -12.525 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.681 -13.534 6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.358 -12.743 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.937 -14.354 5.354 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.829 -15.236 2.680 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.964 -16.155 2.651 1.00 0.00 C ATOM 1079 C ASP A 79 -16.736 -17.243 1.613 1.00 0.00 C ATOM 1080 O ASP A 79 -17.140 -18.389 1.799 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.271 -15.417 2.343 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.747 -14.547 3.488 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -18.879 -15.061 4.618 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.015 -13.350 3.262 1.00 0.00 O ATOM 0 H ASP A 79 -16.052 -14.279 2.405 1.00 0.00 H new ATOM 0 HA ASP A 79 -17.049 -16.607 3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.131 -14.797 1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -19.045 -16.146 2.103 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.070 -16.880 0.522 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.800 -17.843 -0.530 1.00 0.00 C ATOM 1090 C GLY A 80 -14.612 -17.464 -1.397 1.00 0.00 C ATOM 1091 O GLY A 80 -14.142 -18.269 -2.199 1.00 0.00 O ATOM 0 H GLY A 80 -15.714 -15.940 0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.618 -18.820 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.684 -17.941 -1.159 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.123 -16.237 -1.246 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.990 -15.789 -2.030 1.00 0.00 C ATOM 1097 C GLY A 81 -13.423 -15.095 -3.299 1.00 0.00 C ATOM 1098 O GLY A 81 -12.644 -14.945 -4.236 1.00 0.00 O ATOM 0 H GLY A 81 -14.493 -15.546 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.382 -15.109 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.361 -16.643 -2.280 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.674 -14.669 -3.320 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.240 -13.996 -4.487 1.00 0.00 C ATOM 1104 C PHE A 82 -15.499 -12.541 -4.153 1.00 0.00 C ATOM 1105 O PHE A 82 -15.631 -12.222 -2.977 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.540 -14.686 -4.922 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.555 -14.834 -3.818 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.492 -13.843 -3.573 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -17.569 -15.970 -3.022 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.418 -13.979 -2.557 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -18.493 -16.112 -2.006 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.417 -15.116 -1.772 1.00 0.00 C ATOM 0 H PHE A 82 -15.323 -14.776 -2.541 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.532 -14.052 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.986 -14.117 -5.738 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.301 -15.674 -5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.498 -12.953 -4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.847 -16.754 -3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.142 -13.198 -2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.492 -17.003 -1.395 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.139 -15.224 -0.976 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.579 -11.672 -5.169 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.834 -10.243 -4.953 1.00 0.00 C ATOM 1123 C ARG A 83 -15.572 -9.429 -6.220 1.00 0.00 C ATOM 1124 O ARG A 83 -15.727 -9.928 -7.332 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.954 -9.720 -3.837 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.670 -8.847 -2.823 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.627 -9.659 -1.965 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.905 -9.891 -2.633 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.080 -9.461 -2.168 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.145 -8.769 -1.036 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.193 -9.718 -2.839 1.00 0.00 N ATOM 0 H ARG A 83 -15.471 -11.934 -6.149 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.884 -10.134 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.508 -10.568 -3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.136 -9.149 -4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.937 -8.353 -2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.221 -8.062 -3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.168 -10.617 -1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.800 -9.137 -1.024 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.899 -10.414 -3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.293 -8.562 -0.515 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.047 -8.444 -0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.152 -10.245 -3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.091 -9.389 -2.483 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.148 -8.181 -6.033 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.892 -7.268 -7.140 1.00 0.00 C ATOM 1144 C GLU A 84 -13.515 -6.623 -6.981 1.00 0.00 C ATOM 1145 O GLU A 84 -12.989 -6.564 -5.876 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.981 -6.186 -7.153 1.00 0.00 C ATOM 1147 CG GLU A 84 -15.882 -5.220 -8.318 1.00 0.00 C ATOM 1148 CD GLU A 84 -15.967 -5.926 -9.651 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -14.921 -6.404 -10.139 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.081 -6.020 -10.206 1.00 0.00 O ATOM 0 H GLU A 84 -14.973 -7.777 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.909 -7.818 -8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.958 -6.669 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.928 -5.622 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.682 -4.484 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.940 -4.674 -8.257 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.934 -6.153 -8.084 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.627 -5.503 -8.038 1.00 0.00 C ATOM 1157 C ARG A 85 -11.802 -4.043 -7.642 1.00 0.00 C ATOM 1158 O ARG A 85 -12.857 -3.456 -7.884 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.908 -5.612 -9.386 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.476 -5.098 -9.352 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.732 -5.407 -10.638 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.339 -4.961 -10.582 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.295 -5.781 -10.453 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -6.474 -7.090 -10.352 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.064 -5.292 -10.425 1.00 0.00 N ATOM 0 H ARG A 85 -13.346 -6.210 -9.015 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.010 -6.008 -7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.904 -6.655 -9.704 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.469 -5.053 -10.135 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.481 -4.021 -9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.949 -5.548 -8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.763 -6.480 -10.826 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.235 -4.922 -11.474 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.155 -3.960 -10.646 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.417 -7.479 -10.373 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.669 -7.709 -10.254 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.913 -4.286 -10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.267 -5.921 -10.326 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.773 -3.452 -7.048 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.866 -2.069 -6.595 1.00 0.00 C ATOM 1178 C GLN A 86 -9.479 -1.471 -6.345 1.00 0.00 C ATOM 1179 O GLN A 86 -8.489 -2.192 -6.257 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.706 -2.036 -5.314 1.00 0.00 C ATOM 1181 CG GLN A 86 -12.086 -0.647 -4.835 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.958 -0.680 -3.596 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.758 -1.728 -3.455 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.913 0.223 -2.768 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.875 -3.901 -6.870 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.340 -1.466 -7.369 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.618 -2.609 -5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.153 -2.539 -4.521 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.180 -0.079 -4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.612 -0.122 -5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.285 1.014 -2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.504 0.183 -1.937 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.411 -0.152 -6.239 1.00 0.00 N ATOM 1192 CA GLY A 87 -8.146 0.506 -5.994 1.00 0.00 C ATOM 1193 C GLY A 87 -8.217 1.456 -4.819 1.00 0.00 C ATOM 1194 O GLY A 87 -9.254 2.075 -4.576 1.00 0.00 O ATOM 0 H GLY A 87 -10.212 0.475 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.378 -0.244 -5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.845 1.055 -6.886 1.00 0.00 H new ATOM 1198 N ILE A 88 -7.122 1.566 -4.084 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.056 2.447 -2.931 1.00 0.00 C ATOM 1200 C ILE A 88 -5.824 3.351 -3.023 1.00 0.00 C ATOM 1201 O ILE A 88 -4.733 2.904 -3.396 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.035 1.639 -1.608 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.943 2.578 -0.403 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.886 0.637 -1.602 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.002 1.864 0.930 1.00 0.00 C ATOM 0 H ILE A 88 -6.261 1.051 -4.268 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.951 3.069 -2.930 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.969 1.082 -1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.012 3.141 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.757 3.301 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.892 0.082 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.004 -0.057 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.940 1.168 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.931 2.593 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.945 1.323 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.173 1.161 1.003 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.008 4.628 -2.722 1.00 0.00 N ATOM 1217 CA ASP A 89 -4.911 5.584 -2.767 1.00 0.00 C ATOM 1218 C ASP A 89 -4.068 5.482 -1.504 1.00 0.00 C ATOM 1219 O ASP A 89 -4.594 5.334 -0.398 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.431 7.016 -2.939 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.274 7.492 -1.770 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.496 7.234 -1.771 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -5.722 8.138 -0.852 1.00 0.00 O ATOM 0 H ASP A 89 -6.905 5.026 -2.444 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.290 5.342 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.584 7.690 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.023 7.073 -3.852 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.758 5.556 -1.671 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.841 5.467 -0.547 1.00 0.00 C ATOM 1229 C LEU A 90 -1.346 6.848 -0.177 1.00 0.00 C ATOM 1230 O LEU A 90 -0.163 7.063 0.094 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.665 4.575 -0.896 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.037 3.206 -1.445 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.220 2.421 -1.726 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -1.939 2.459 -0.475 1.00 0.00 C ATOM 0 H LEU A 90 -2.305 5.678 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.369 5.035 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.045 5.088 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.055 4.438 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.592 3.334 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.044 1.439 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.826 2.954 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.788 2.301 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.191 1.483 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.421 2.326 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.852 3.031 -0.313 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.274 7.777 -0.160 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.975 9.166 0.161 1.00 0.00 C ATOM 1247 C ASN A 91 -1.781 9.353 1.662 1.00 0.00 C ATOM 1248 O ASN A 91 -1.518 10.459 2.131 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.095 10.084 -0.342 1.00 0.00 C ATOM 1250 CG ASN A 91 -3.086 10.294 -1.852 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -2.628 9.305 -2.608 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -3.503 11.345 -2.339 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.257 7.599 -0.367 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.045 9.433 -0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.057 9.663 -0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.007 11.052 0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.849 12.087 -1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.503 11.474 -3.351 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.905 8.260 2.407 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.746 8.291 3.857 1.00 0.00 C ATOM 1260 C ARG A 92 -0.350 7.852 4.275 1.00 0.00 C ATOM 1261 O ARG A 92 0.001 7.906 5.449 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.765 7.378 4.526 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.178 7.918 4.529 1.00 0.00 C ATOM 1264 CD ARG A 92 -4.987 7.276 5.639 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.561 7.736 6.959 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.365 7.817 8.019 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.656 7.531 7.910 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -4.885 8.208 9.191 1.00 0.00 N ATOM 0 H ARG A 92 -2.116 7.337 2.028 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.904 9.322 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.759 6.413 4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.455 7.200 5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.160 9.000 4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.651 7.723 3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.043 7.505 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.886 6.192 5.582 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.586 8.013 7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.041 7.246 7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.263 7.596 8.727 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.898 8.448 9.283 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.503 8.269 10.000 1.00 0.00 H new ATOM 1279 N ILE A 93 0.443 7.402 3.324 1.00 0.00 N ATOM 1280 CA ILE A 93 1.787 6.943 3.632 1.00 0.00 C ATOM 1281 C ILE A 93 2.791 8.024 3.258 1.00 0.00 C ATOM 1282 O ILE A 93 2.869 8.432 2.100 1.00 0.00 O ATOM 1283 CB ILE A 93 2.105 5.614 2.904 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.945 4.631 3.080 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.387 4.990 3.437 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.585 4.374 4.532 1.00 0.00 C ATOM 0 H ILE A 93 0.186 7.343 2.339 1.00 0.00 H new ATOM 0 HA ILE A 93 1.856 6.749 4.702 1.00 0.00 H new ATOM 0 HB ILE A 93 2.242 5.833 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.069 5.018 2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.206 3.685 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.585 4.058 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.218 5.679 3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.277 4.786 4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.244 3.669 4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.447 3.957 5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.293 5.311 5.006 1.00 0.00 H new ATOM 1297 N GLN A 94 3.527 8.509 4.250 1.00 0.00 N ATOM 1298 CA GLN A 94 4.504 9.563 4.039 1.00 0.00 C ATOM 1299 C GLN A 94 5.840 9.211 4.694 1.00 0.00 C ATOM 1300 O GLN A 94 5.879 8.592 5.756 1.00 0.00 O ATOM 1301 CB GLN A 94 3.961 10.867 4.627 1.00 0.00 C ATOM 1302 CG GLN A 94 4.870 12.069 4.444 1.00 0.00 C ATOM 1303 CD GLN A 94 5.280 12.267 3.002 1.00 0.00 C ATOM 1304 OE1 GLN A 94 6.345 11.829 2.575 1.00 0.00 O ATOM 1305 NE2 GLN A 94 4.407 12.871 2.230 1.00 0.00 N ATOM 0 H GLN A 94 3.463 8.184 5.215 1.00 0.00 H new ATOM 0 HA GLN A 94 4.676 9.679 2.969 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.997 11.084 4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.781 10.723 5.692 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.360 12.964 4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.762 11.944 5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.534 13.221 2.624 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.602 12.991 1.236 1.00 0.00 H new ATOM 1312 N ASN A 95 6.930 9.594 4.049 1.00 0.00 N ATOM 1313 CA ASN A 95 8.257 9.340 4.581 1.00 0.00 C ATOM 1314 C ASN A 95 8.781 10.570 5.321 1.00 0.00 C ATOM 1315 O ASN A 95 9.199 11.556 4.718 1.00 0.00 O ATOM 1316 CB ASN A 95 9.232 8.905 3.469 1.00 0.00 C ATOM 1317 CG ASN A 95 9.359 9.901 2.321 1.00 0.00 C ATOM 1318 OD1 ASN A 95 8.562 9.891 1.391 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.385 10.740 2.358 1.00 0.00 N ATOM 0 H ASN A 95 6.921 10.083 3.154 1.00 0.00 H new ATOM 0 HA ASN A 95 8.184 8.517 5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 95 10.217 8.746 3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.903 7.946 3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.529 11.403 1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.030 10.722 3.148 1.00 0.00 H new ATOM 1325 N VAL A 96 8.736 10.516 6.641 1.00 0.00 N ATOM 1326 CA VAL A 96 9.215 11.615 7.459 1.00 0.00 C ATOM 1327 C VAL A 96 10.707 11.454 7.729 1.00 0.00 C ATOM 1328 O VAL A 96 11.150 10.453 8.302 1.00 0.00 O ATOM 1329 CB VAL A 96 8.425 11.741 8.788 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.498 10.463 9.608 1.00 0.00 C ATOM 1331 CG2 VAL A 96 8.919 12.931 9.600 1.00 0.00 C ATOM 0 H VAL A 96 8.372 9.722 7.169 1.00 0.00 H new ATOM 0 HA VAL A 96 9.051 12.538 6.904 1.00 0.00 H new ATOM 0 HB VAL A 96 7.379 11.908 8.532 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.933 10.590 10.531 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.075 9.638 9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.538 10.243 9.847 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.351 13.000 10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.976 12.800 9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.784 13.846 9.023 1.00 0.00 H new ATOM 1341 N ASN A 97 11.477 12.423 7.254 1.00 0.00 N ATOM 1342 CA ASN A 97 12.928 12.430 7.420 1.00 0.00 C ATOM 1343 C ASN A 97 13.564 11.206 6.770 1.00 0.00 C ATOM 1344 O ASN A 97 14.622 10.748 7.192 1.00 0.00 O ATOM 1345 CB ASN A 97 13.296 12.487 8.902 1.00 0.00 C ATOM 1346 CG ASN A 97 14.256 13.613 9.209 1.00 0.00 C ATOM 1347 OD1 ASN A 97 15.475 13.439 9.175 1.00 0.00 O ATOM 1348 ND2 ASN A 97 13.709 14.779 9.503 1.00 0.00 N ATOM 0 H ASN A 97 11.115 13.228 6.742 1.00 0.00 H new ATOM 0 HA ASN A 97 13.316 13.320 6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.390 12.612 9.495 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.743 11.539 9.200 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.302 15.582 9.714 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.694 14.876 9.519 1.00 0.00 H new ATOM 1354 N GLY A 98 12.905 10.674 5.750 1.00 0.00 N ATOM 1355 CA GLY A 98 13.426 9.509 5.061 1.00 0.00 C ATOM 1356 C GLY A 98 12.834 8.209 5.573 1.00 0.00 C ATOM 1357 O GLY A 98 13.034 7.153 4.978 1.00 0.00 O ATOM 0 H GLY A 98 12.020 11.027 5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.220 9.601 3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.510 9.479 5.175 1.00 0.00 H new ATOM 1361 N ARG A 99 12.097 8.276 6.671 1.00 0.00 N ATOM 1362 CA ARG A 99 11.491 7.084 7.247 1.00 0.00 C ATOM 1363 C ARG A 99 10.030 6.995 6.848 1.00 0.00 C ATOM 1364 O ARG A 99 9.258 7.920 7.085 1.00 0.00 O ATOM 1365 CB ARG A 99 11.609 7.072 8.776 1.00 0.00 C ATOM 1366 CG ARG A 99 13.036 6.956 9.295 1.00 0.00 C ATOM 1367 CD ARG A 99 13.811 8.248 9.108 1.00 0.00 C ATOM 1368 NE ARG A 99 15.179 8.151 9.601 1.00 0.00 N ATOM 1369 CZ ARG A 99 15.693 8.972 10.513 1.00 0.00 C ATOM 1370 NH1 ARG A 99 14.934 9.898 11.086 1.00 0.00 N ATOM 1371 NH2 ARG A 99 16.964 8.860 10.866 1.00 0.00 N ATOM 0 H ARG A 99 11.904 9.139 7.180 1.00 0.00 H new ATOM 0 HA ARG A 99 12.031 6.220 6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.165 7.986 9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 99 11.024 6.240 9.167 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.018 6.693 10.353 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.548 6.147 8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.827 8.509 8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.296 9.056 9.628 1.00 0.00 H new ATOM 0 HE ARG A 99 15.775 7.413 9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.951 9.983 10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.334 10.525 11.785 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.551 8.143 10.439 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.357 9.490 11.565 1.00 0.00 H new ATOM 1382 N LEU A 100 9.657 5.877 6.254 1.00 0.00 N ATOM 1383 CA LEU A 100 8.289 5.671 5.807 1.00 0.00 C ATOM 1384 C LEU A 100 7.391 5.368 7.001 1.00 0.00 C ATOM 1385 O LEU A 100 7.556 4.347 7.670 1.00 0.00 O ATOM 1386 CB LEU A 100 8.232 4.525 4.798 1.00 0.00 C ATOM 1387 CG LEU A 100 7.053 4.578 3.831 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.163 5.802 2.947 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.996 3.316 2.987 1.00 0.00 C ATOM 0 H LEU A 100 10.284 5.094 6.069 1.00 0.00 H new ATOM 0 HA LEU A 100 7.935 6.581 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.157 4.522 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.194 3.582 5.343 1.00 0.00 H new ATOM 0 HG LEU A 100 6.131 4.643 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.317 5.832 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.159 6.699 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.092 5.757 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.149 3.373 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.918 3.220 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.880 2.449 3.637 1.00 0.00 H new ATOM 1400 N VAL A 101 6.454 6.268 7.268 1.00 0.00 N ATOM 1401 CA VAL A 101 5.537 6.121 8.390 1.00 0.00 C ATOM 1402 C VAL A 101 4.100 6.332 7.928 1.00 0.00 C ATOM 1403 O VAL A 101 3.838 7.129 7.024 1.00 0.00 O ATOM 1404 CB VAL A 101 5.863 7.148 9.505 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.970 6.949 10.720 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.326 7.068 9.908 1.00 0.00 C ATOM 0 H VAL A 101 6.309 7.114 6.718 1.00 0.00 H new ATOM 0 HA VAL A 101 5.652 5.112 8.786 1.00 0.00 H new ATOM 0 HB VAL A 101 5.669 8.141 9.100 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.224 7.685 11.483 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.927 7.074 10.429 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.118 5.946 11.120 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.528 7.799 10.691 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.547 6.067 10.279 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.954 7.281 9.043 1.00 0.00 H new ATOM 1416 N PHE A 102 3.172 5.606 8.533 1.00 0.00 N ATOM 1417 CA PHE A 102 1.768 5.747 8.196 1.00 0.00 C ATOM 1418 C PHE A 102 1.211 6.987 8.873 1.00 0.00 C ATOM 1419 O PHE A 102 1.491 7.246 10.046 1.00 0.00 O ATOM 1420 CB PHE A 102 0.970 4.506 8.620 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.495 4.779 8.805 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.338 4.949 7.716 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.027 4.887 10.080 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.673 5.224 7.900 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.363 5.158 10.267 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.187 5.328 9.176 1.00 0.00 C ATOM 0 H PHE A 102 3.367 4.915 9.258 1.00 0.00 H new ATOM 0 HA PHE A 102 1.676 5.848 7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.096 3.727 7.868 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.381 4.119 9.552 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.942 4.865 6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.384 4.757 10.938 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.319 5.359 7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.765 5.237 11.266 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.236 5.543 9.320 1.00 0.00 H new ATOM 1435 N GLN A 103 0.444 7.759 8.132 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.146 8.969 8.661 1.00 0.00 C ATOM 1437 C GLN A 103 -1.663 8.892 8.568 1.00 0.00 C ATOM 1438 O GLN A 103 -2.206 9.066 7.459 1.00 0.00 O ATOM 1439 CB GLN A 103 0.380 10.182 7.892 1.00 0.00 C ATOM 1440 CG GLN A 103 0.553 11.429 8.746 1.00 0.00 C ATOM 1441 CD GLN A 103 1.877 11.451 9.503 1.00 0.00 C ATOM 1442 OE1 GLN A 103 2.406 10.281 9.837 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 2.427 12.519 9.774 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -2.306 8.639 9.605 1.00 0.00 O ATOM 0 H GLN A 103 0.214 7.568 7.157 1.00 0.00 H new ATOM 0 HA GLN A 103 0.130 9.075 9.710 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.339 9.926 7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.305 10.406 7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.490 12.311 8.109 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.269 11.492 9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.992 13.400 9.502 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.318 12.522 10.271 1.00 0.00 H new