USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1004 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 135 SER OG : rot 111:sc= 0.109 USER MOD Set 1.2: A 137 THR OG1 : rot 180:sc= 0.202 USER MOD Set 2.1: A 93 ASN : amide:sc= -1.89 K(o=-1.9,f=-3.3!) USER MOD Set 2.2: A 131 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 11 SER OG : rot -69:sc= 1.41 USER MOD Set 3.2: A 14 THR OG1 : rot -179:sc= 0.932 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.016 K(o=-0.016,f=-1.3) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -35:sc= 0.869 USER MOD Single : A 17 SER OG : rot -51:sc= 1.13 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0822 X(o=-0.082,f=-0.15) USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= -2.89 (180deg=-7.03!) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -0.777 F(o=-3.4,f=-0.78) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -2.28 F(o=-3.4!,f=-2.3) USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 1.1 (180deg=1.04) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -67:sc= -6.46! USER MOD Single : A 70 TYR OH : rot 150:sc= -2.3! USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.49) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 113:sc= 0.267 USER MOD Single : A 95 TYR OH : rot -173:sc= -1.06 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 114 LYS NZ :NH3+ 148:sc= -3.07! (180deg=-5.11!) USER MOD Single : A 116 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-3.3!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.6!) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= -0.495 USER MOD Single : A 138 TYR OH : rot 64:sc= -0.964 USER MOD Single : A 143 ASN : amide:sc= -2.27 K(o=-2.3,f=-6.3!) USER MOD Single : A 144 HIS :FLIP no HD1:sc= -1.24! C(o=-1.8!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 38 N GLU A 4 14.617 -0.004 -13.087 1.00 0.00 N ATOM 39 CA GLU A 4 13.895 1.256 -13.239 1.00 0.00 C ATOM 40 C GLU A 4 12.420 1.088 -12.882 1.00 0.00 C ATOM 41 O GLU A 4 11.815 1.968 -12.269 1.00 0.00 O ATOM 42 CB GLU A 4 14.028 1.774 -14.671 1.00 0.00 C ATOM 43 CG GLU A 4 15.428 2.257 -15.016 1.00 0.00 C ATOM 44 CD GLU A 4 15.542 2.765 -16.442 1.00 0.00 C ATOM 45 OE1 GLU A 4 16.588 3.360 -16.776 1.00 0.00 O ATOM 46 OE2 GLU A 4 14.586 2.571 -17.224 1.00 0.00 O ATOM 0 HA GLU A 4 14.335 1.981 -12.554 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.746 0.981 -15.363 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.323 2.592 -14.819 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.712 3.053 -14.328 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.135 1.441 -14.869 1.00 0.00 H new ATOM 54 N ASN A 5 11.845 -0.037 -13.288 1.00 0.00 N ATOM 55 CA ASN A 5 10.437 -0.323 -13.026 1.00 0.00 C ATOM 56 C ASN A 5 10.142 -0.363 -11.528 1.00 0.00 C ATOM 57 O ASN A 5 9.097 0.109 -11.081 1.00 0.00 O ATOM 58 CB ASN A 5 10.038 -1.650 -13.670 1.00 0.00 C ATOM 59 CG ASN A 5 9.999 -1.573 -15.183 1.00 0.00 C ATOM 60 OD1 ASN A 5 9.895 -0.490 -15.760 1.00 0.00 O ATOM 61 ND2 ASN A 5 10.083 -2.727 -15.837 1.00 0.00 N ATOM 0 H ASN A 5 12.333 -0.770 -13.802 1.00 0.00 H new ATOM 0 HA ASN A 5 9.849 0.483 -13.464 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.743 -2.424 -13.367 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.058 -1.950 -13.299 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.062 -2.738 -16.857 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.168 -3.602 -15.319 1.00 0.00 H new ATOM 68 N TYR A 6 11.055 -0.946 -10.759 1.00 0.00 N ATOM 69 CA TYR A 6 10.874 -1.056 -9.316 1.00 0.00 C ATOM 70 C TYR A 6 11.708 -0.020 -8.570 1.00 0.00 C ATOM 71 O TYR A 6 12.899 0.143 -8.834 1.00 0.00 O ATOM 72 CB TYR A 6 11.259 -2.458 -8.840 1.00 0.00 C ATOM 73 CG TYR A 6 10.306 -3.542 -9.289 1.00 0.00 C ATOM 74 CD1 TYR A 6 10.502 -4.210 -10.492 1.00 0.00 C ATOM 75 CD2 TYR A 6 9.213 -3.899 -8.509 1.00 0.00 C ATOM 76 CE1 TYR A 6 9.635 -5.205 -10.904 1.00 0.00 C ATOM 77 CE2 TYR A 6 8.342 -4.892 -8.915 1.00 0.00 C ATOM 78 CZ TYR A 6 8.557 -5.541 -10.113 1.00 0.00 C ATOM 79 OH TYR A 6 7.692 -6.530 -10.519 1.00 0.00 O ATOM 0 H TYR A 6 11.925 -1.348 -11.109 1.00 0.00 H new ATOM 0 HA TYR A 6 9.822 -0.872 -9.100 1.00 0.00 H new ATOM 0 HB2 TYR A 6 12.259 -2.693 -9.205 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.309 -2.460 -7.751 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.345 -3.948 -11.115 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.041 -3.392 -7.571 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.801 -5.716 -11.841 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.497 -5.159 -8.297 1.00 0.00 H new ATOM 0 HH TYR A 6 6.988 -6.644 -9.847 1.00 0.00 H new ATOM 89 N TYR A 7 11.072 0.671 -7.631 1.00 0.00 N ATOM 90 CA TYR A 7 11.746 1.688 -6.832 1.00 0.00 C ATOM 91 C TYR A 7 11.710 1.311 -5.353 1.00 0.00 C ATOM 92 O TYR A 7 10.637 1.112 -4.782 1.00 0.00 O ATOM 93 CB TYR A 7 11.078 3.049 -7.043 1.00 0.00 C ATOM 94 CG TYR A 7 11.706 4.169 -6.245 1.00 0.00 C ATOM 95 CD1 TYR A 7 11.257 4.467 -4.966 1.00 0.00 C ATOM 96 CD2 TYR A 7 12.743 4.929 -6.771 1.00 0.00 C ATOM 97 CE1 TYR A 7 11.823 5.489 -4.231 1.00 0.00 C ATOM 98 CE2 TYR A 7 13.315 5.955 -6.042 1.00 0.00 C ATOM 99 CZ TYR A 7 12.852 6.231 -4.774 1.00 0.00 C ATOM 100 OH TYR A 7 13.419 7.251 -4.045 1.00 0.00 O ATOM 0 H TYR A 7 10.086 0.545 -7.404 1.00 0.00 H new ATOM 0 HA TYR A 7 12.786 1.750 -7.151 1.00 0.00 H new ATOM 0 HB2 TYR A 7 11.119 3.303 -8.102 1.00 0.00 H new ATOM 0 HB3 TYR A 7 10.024 2.971 -6.775 1.00 0.00 H new ATOM 0 HD1 TYR A 7 10.451 3.889 -4.538 1.00 0.00 H new ATOM 0 HD2 TYR A 7 13.108 4.715 -7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.463 5.707 -3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.121 6.537 -6.464 1.00 0.00 H new ATOM 0 HH TYR A 7 14.130 7.673 -4.571 1.00 0.00 H new ATOM 110 N ILE A 8 12.885 1.207 -4.733 1.00 0.00 N ATOM 111 CA ILE A 8 12.959 0.846 -3.320 1.00 0.00 C ATOM 112 C ILE A 8 13.824 1.834 -2.529 1.00 0.00 C ATOM 113 O ILE A 8 14.994 2.050 -2.853 1.00 0.00 O ATOM 114 CB ILE A 8 13.517 -0.585 -3.116 1.00 0.00 C ATOM 115 CG1 ILE A 8 12.984 -1.545 -4.185 1.00 0.00 C ATOM 116 CG2 ILE A 8 13.145 -1.095 -1.731 1.00 0.00 C ATOM 117 CD1 ILE A 8 14.071 -2.350 -4.866 1.00 0.00 C ATOM 0 H ILE A 8 13.788 1.366 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 8 11.936 0.883 -2.945 1.00 0.00 H new ATOM 0 HB ILE A 8 14.602 -0.542 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.270 -2.228 -3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.440 -0.974 -4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.541 -2.101 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.567 -0.434 -0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.060 -1.115 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.624 -3.008 -5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.773 -1.674 -5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.600 -2.948 -4.124 1.00 0.00 H new ATOM 129 N SER A 9 13.218 2.420 -1.484 1.00 0.00 N ATOM 130 CA SER A 9 13.900 3.391 -0.591 1.00 0.00 C ATOM 131 C SER A 9 14.510 2.699 0.657 1.00 0.00 C ATOM 132 O SER A 9 13.950 2.802 1.743 1.00 0.00 O ATOM 133 CB SER A 9 12.906 4.482 -0.139 1.00 0.00 C ATOM 134 OG SER A 9 13.210 5.726 -0.741 1.00 0.00 O ATOM 0 H SER A 9 12.247 2.240 -1.229 1.00 0.00 H new ATOM 0 HA SER A 9 14.714 3.841 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.891 4.185 -0.402 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.938 4.581 0.946 1.00 0.00 H new ATOM 0 HG SER A 9 12.566 6.401 -0.441 1.00 0.00 H new ATOM 140 N PRO A 10 15.578 1.866 0.516 1.00 0.00 N ATOM 141 CA PRO A 10 16.341 1.641 -0.698 1.00 0.00 C ATOM 142 C PRO A 10 16.312 0.194 -1.187 1.00 0.00 C ATOM 143 O PRO A 10 15.588 -0.638 -0.644 1.00 0.00 O ATOM 144 CB PRO A 10 17.737 1.939 -0.157 1.00 0.00 C ATOM 145 CG PRO A 10 17.712 1.385 1.249 1.00 0.00 C ATOM 146 CD PRO A 10 16.254 1.183 1.617 1.00 0.00 C ATOM 0 HA PRO A 10 15.981 2.223 -1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.509 1.461 -0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.946 3.009 -0.161 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.258 0.443 1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.194 2.073 1.944 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.987 0.128 1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 10 16.010 1.623 2.584 1.00 0.00 H new ATOM 154 N SER A 11 17.088 -0.072 -2.241 1.00 0.00 N ATOM 155 CA SER A 11 17.165 -1.398 -2.869 1.00 0.00 C ATOM 156 C SER A 11 17.138 -2.534 -1.849 1.00 0.00 C ATOM 157 O SER A 11 17.340 -2.324 -0.654 1.00 0.00 O ATOM 158 CB SER A 11 18.430 -1.502 -3.724 1.00 0.00 C ATOM 159 OG SER A 11 19.583 -1.637 -2.914 1.00 0.00 O ATOM 0 H SER A 11 17.683 0.627 -2.686 1.00 0.00 H new ATOM 0 HA SER A 11 16.280 -1.504 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 11 18.350 -2.358 -4.394 1.00 0.00 H new ATOM 0 HB3 SER A 11 18.523 -0.615 -4.350 1.00 0.00 H new ATOM 0 HG SER A 11 19.747 -0.797 -2.436 1.00 0.00 H new ATOM 165 N LEU A 12 16.876 -3.742 -2.337 1.00 0.00 N ATOM 166 CA LEU A 12 16.793 -4.910 -1.474 1.00 0.00 C ATOM 167 C LEU A 12 18.103 -5.129 -0.729 1.00 0.00 C ATOM 168 O LEU A 12 18.103 -5.461 0.457 1.00 0.00 O ATOM 169 CB LEU A 12 16.455 -6.151 -2.304 1.00 0.00 C ATOM 170 CG LEU A 12 15.130 -6.077 -3.064 1.00 0.00 C ATOM 171 CD1 LEU A 12 14.894 -7.358 -3.848 1.00 0.00 C ATOM 172 CD2 LEU A 12 13.978 -5.805 -2.113 1.00 0.00 C ATOM 0 H LEU A 12 16.718 -3.936 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 12 16.004 -4.738 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.259 -6.321 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 12 16.430 -7.017 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 12 15.185 -5.249 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.947 -7.288 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 12 15.704 -7.502 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 12 14.861 -8.204 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.046 -5.756 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.917 -6.607 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 12 14.144 -4.856 -1.603 1.00 0.00 H new ATOM 184 N ASP A 13 19.220 -4.922 -1.417 1.00 0.00 N ATOM 185 CA ASP A 13 20.525 -5.085 -0.793 1.00 0.00 C ATOM 186 C ASP A 13 20.758 -3.997 0.254 1.00 0.00 C ATOM 187 O ASP A 13 21.239 -4.272 1.353 1.00 0.00 O ATOM 188 CB ASP A 13 21.629 -5.040 -1.851 1.00 0.00 C ATOM 189 CG ASP A 13 21.627 -6.266 -2.743 1.00 0.00 C ATOM 190 OD1 ASP A 13 22.196 -6.194 -3.852 1.00 0.00 O ATOM 191 OD2 ASP A 13 21.057 -7.298 -2.331 1.00 0.00 O ATOM 0 H ASP A 13 19.248 -4.644 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 13 20.550 -6.056 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 13 21.504 -4.148 -2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 13 22.597 -4.955 -1.358 1.00 0.00 H new ATOM 197 N THR A 14 20.409 -2.759 -0.095 1.00 0.00 N ATOM 198 CA THR A 14 20.577 -1.632 0.820 1.00 0.00 C ATOM 199 C THR A 14 19.770 -1.840 2.099 1.00 0.00 C ATOM 200 O THR A 14 20.232 -1.530 3.198 1.00 0.00 O ATOM 201 CB THR A 14 20.160 -0.320 0.144 1.00 0.00 C ATOM 202 OG1 THR A 14 20.693 -0.244 -1.167 1.00 0.00 O ATOM 203 CG2 THR A 14 20.638 0.906 0.893 1.00 0.00 C ATOM 0 H THR A 14 20.010 -2.512 -1.001 1.00 0.00 H new ATOM 0 HA THR A 14 21.633 -1.572 1.084 1.00 0.00 H new ATOM 0 HB THR A 14 19.070 -0.329 0.132 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.429 0.605 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.313 1.804 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.220 0.904 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.726 0.895 0.953 1.00 0.00 H new ATOM 211 N LEU A 15 18.556 -2.360 1.941 1.00 0.00 N ATOM 212 CA LEU A 15 17.665 -2.604 3.071 1.00 0.00 C ATOM 213 C LEU A 15 18.162 -3.746 3.953 1.00 0.00 C ATOM 214 O LEU A 15 18.065 -3.682 5.177 1.00 0.00 O ATOM 215 CB LEU A 15 16.255 -2.922 2.566 1.00 0.00 C ATOM 216 CG LEU A 15 15.220 -3.199 3.658 1.00 0.00 C ATOM 217 CD1 LEU A 15 15.031 -1.974 4.537 1.00 0.00 C ATOM 218 CD2 LEU A 15 13.896 -3.624 3.040 1.00 0.00 C ATOM 0 H LEU A 15 18.165 -2.622 1.036 1.00 0.00 H new ATOM 0 HA LEU A 15 17.648 -1.697 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.906 -2.086 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.309 -3.790 1.910 1.00 0.00 H new ATOM 0 HG LEU A 15 15.586 -4.014 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.291 -2.190 5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.979 -1.714 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.687 -1.139 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.171 -3.817 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.525 -2.829 2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.043 -4.531 2.453 1.00 0.00 H new ATOM 230 N SER A 16 18.678 -4.796 3.324 1.00 0.00 N ATOM 231 CA SER A 16 19.166 -5.962 4.054 1.00 0.00 C ATOM 232 C SER A 16 20.431 -5.648 4.847 1.00 0.00 C ATOM 233 O SER A 16 20.771 -6.363 5.791 1.00 0.00 O ATOM 234 CB SER A 16 19.430 -7.119 3.089 1.00 0.00 C ATOM 235 OG SER A 16 20.554 -6.853 2.267 1.00 0.00 O ATOM 0 H SER A 16 18.770 -4.864 2.310 1.00 0.00 H new ATOM 0 HA SER A 16 18.391 -6.250 4.764 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.598 -8.036 3.654 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.551 -7.284 2.466 1.00 0.00 H new ATOM 0 HG SER A 16 20.588 -5.896 2.059 1.00 0.00 H new ATOM 241 N SER A 17 21.124 -4.578 4.474 1.00 0.00 N ATOM 242 CA SER A 17 22.346 -4.189 5.176 1.00 0.00 C ATOM 243 C SER A 17 22.043 -3.844 6.634 1.00 0.00 C ATOM 244 O SER A 17 22.953 -3.674 7.448 1.00 0.00 O ATOM 245 CB SER A 17 23.002 -2.994 4.481 1.00 0.00 C ATOM 246 OG SER A 17 22.233 -1.816 4.656 1.00 0.00 O ATOM 0 H SER A 17 20.866 -3.969 3.698 1.00 0.00 H new ATOM 0 HA SER A 17 23.036 -5.033 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.004 -2.841 4.882 1.00 0.00 H new ATOM 0 HB3 SER A 17 23.114 -3.204 3.417 1.00 0.00 H new ATOM 0 HG SER A 17 21.303 -1.992 4.402 1.00 0.00 H new ATOM 252 N TYR A 18 20.756 -3.747 6.952 1.00 0.00 N ATOM 253 CA TYR A 18 20.303 -3.431 8.297 1.00 0.00 C ATOM 254 C TYR A 18 20.564 -4.577 9.262 1.00 0.00 C ATOM 255 O TYR A 18 20.367 -5.744 8.924 1.00 0.00 O ATOM 256 CB TYR A 18 18.806 -3.130 8.275 1.00 0.00 C ATOM 257 CG TYR A 18 18.470 -1.757 7.759 1.00 0.00 C ATOM 258 CD1 TYR A 18 19.166 -0.641 8.199 1.00 0.00 C ATOM 259 CD2 TYR A 18 17.458 -1.577 6.830 1.00 0.00 C ATOM 260 CE1 TYR A 18 18.861 0.618 7.731 1.00 0.00 C ATOM 261 CE2 TYR A 18 17.147 -0.323 6.352 1.00 0.00 C ATOM 262 CZ TYR A 18 17.849 0.775 6.807 1.00 0.00 C ATOM 263 OH TYR A 18 17.541 2.030 6.334 1.00 0.00 O ATOM 0 H TYR A 18 19.999 -3.886 6.282 1.00 0.00 H new ATOM 0 HA TYR A 18 20.862 -2.561 8.640 1.00 0.00 H new ATOM 0 HB2 TYR A 18 18.304 -3.874 7.656 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.409 -3.236 9.284 1.00 0.00 H new ATOM 0 HD1 TYR A 18 19.960 -0.761 8.921 1.00 0.00 H new ATOM 0 HD2 TYR A 18 16.904 -2.433 6.475 1.00 0.00 H new ATOM 0 HE1 TYR A 18 19.411 1.477 8.085 1.00 0.00 H new ATOM 0 HE2 TYR A 18 16.358 -0.200 5.625 1.00 0.00 H new ATOM 0 HH TYR A 18 16.806 1.965 5.689 1.00 0.00 H new ATOM 273 N SER A 19 20.983 -4.236 10.473 1.00 0.00 N ATOM 274 CA SER A 19 21.237 -5.239 11.497 1.00 0.00 C ATOM 275 C SER A 19 19.923 -5.899 11.902 1.00 0.00 C ATOM 276 O SER A 19 18.893 -5.675 11.266 1.00 0.00 O ATOM 277 CB SER A 19 21.909 -4.604 12.716 1.00 0.00 C ATOM 278 OG SER A 19 23.147 -4.009 12.366 1.00 0.00 O ATOM 0 H SER A 19 21.154 -3.275 10.769 1.00 0.00 H new ATOM 0 HA SER A 19 21.910 -5.996 11.093 1.00 0.00 H new ATOM 0 HB2 SER A 19 21.249 -3.851 13.147 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.071 -5.362 13.482 1.00 0.00 H new ATOM 0 HG SER A 19 23.555 -3.609 13.163 1.00 0.00 H new ATOM 284 N LEU A 20 19.955 -6.715 12.948 1.00 0.00 N ATOM 285 CA LEU A 20 18.748 -7.397 13.408 1.00 0.00 C ATOM 286 C LEU A 20 17.672 -6.391 13.812 1.00 0.00 C ATOM 287 O LEU A 20 16.491 -6.580 13.522 1.00 0.00 O ATOM 288 CB LEU A 20 19.072 -8.317 14.587 1.00 0.00 C ATOM 289 CG LEU A 20 19.907 -9.550 14.239 1.00 0.00 C ATOM 290 CD1 LEU A 20 20.374 -10.252 15.504 1.00 0.00 C ATOM 291 CD2 LEU A 20 19.109 -10.502 13.360 1.00 0.00 C ATOM 0 H LEU A 20 20.794 -6.921 13.491 1.00 0.00 H new ATOM 0 HA LEU A 20 18.366 -7.998 12.583 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.604 -7.739 15.343 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.136 -8.647 15.038 1.00 0.00 H new ATOM 0 HG LEU A 20 20.787 -9.226 13.683 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.967 -11.127 15.237 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.983 -9.568 16.096 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.508 -10.565 16.087 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.718 -11.374 13.122 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.211 -10.820 13.890 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.825 -9.995 12.438 1.00 0.00 H new ATOM 303 N LEU A 21 18.090 -5.321 14.479 1.00 0.00 N ATOM 304 CA LEU A 21 17.164 -4.282 14.918 1.00 0.00 C ATOM 305 C LEU A 21 16.855 -3.293 13.798 1.00 0.00 C ATOM 306 O LEU A 21 15.746 -2.769 13.712 1.00 0.00 O ATOM 307 CB LEU A 21 17.738 -3.533 16.122 1.00 0.00 C ATOM 308 CG LEU A 21 17.297 -4.064 17.484 1.00 0.00 C ATOM 309 CD1 LEU A 21 18.174 -3.496 18.589 1.00 0.00 C ATOM 310 CD2 LEU A 21 15.836 -3.726 17.733 1.00 0.00 C ATOM 0 H LEU A 21 19.064 -5.150 14.728 1.00 0.00 H new ATOM 0 HA LEU A 21 16.234 -4.773 15.204 1.00 0.00 H new ATOM 0 HB2 LEU A 21 18.826 -3.571 16.069 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.452 -2.484 16.048 1.00 0.00 H new ATOM 0 HG LEU A 21 17.407 -5.148 17.486 1.00 0.00 H new ATOM 0 HD11 LEU A 21 17.844 -3.886 19.552 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.210 -3.786 18.416 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.097 -2.409 18.592 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.535 -4.110 18.707 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.704 -2.644 17.713 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.220 -4.181 16.957 1.00 0.00 H new ATOM 322 N GLN A 22 17.849 -3.019 12.960 1.00 0.00 N ATOM 323 CA GLN A 22 17.684 -2.067 11.866 1.00 0.00 C ATOM 324 C GLN A 22 16.592 -2.492 10.886 1.00 0.00 C ATOM 325 O GLN A 22 15.817 -1.657 10.417 1.00 0.00 O ATOM 326 CB GLN A 22 19.002 -1.902 11.113 1.00 0.00 C ATOM 327 CG GLN A 22 20.077 -1.176 11.899 1.00 0.00 C ATOM 328 CD GLN A 22 19.669 0.230 12.289 1.00 0.00 C ATOM 329 OE1 GLN A 22 19.783 0.623 13.451 1.00 0.00 O ATOM 330 NE2 GLN A 22 19.191 0.999 11.318 1.00 0.00 N ATOM 0 H GLN A 22 18.776 -3.441 13.017 1.00 0.00 H new ATOM 0 HA GLN A 22 17.383 -1.118 12.310 1.00 0.00 H new ATOM 0 HB2 GLN A 22 19.374 -2.888 10.833 1.00 0.00 H new ATOM 0 HB3 GLN A 22 18.814 -1.358 10.187 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.310 -1.745 12.799 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.989 -1.133 11.304 1.00 0.00 H new ATOM 0 HE21 GLN A 22 19.114 0.633 10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.901 1.956 11.521 1.00 0.00 H new ATOM 339 N LEU A 23 16.530 -3.783 10.566 1.00 0.00 N ATOM 340 CA LEU A 23 15.525 -4.274 9.628 1.00 0.00 C ATOM 341 C LEU A 23 14.132 -4.194 10.241 1.00 0.00 C ATOM 342 O LEU A 23 13.177 -3.754 9.599 1.00 0.00 O ATOM 343 CB LEU A 23 15.817 -5.725 9.249 1.00 0.00 C ATOM 344 CG LEU A 23 17.145 -5.969 8.533 1.00 0.00 C ATOM 345 CD1 LEU A 23 17.423 -7.462 8.437 1.00 0.00 C ATOM 346 CD2 LEU A 23 17.122 -5.343 7.149 1.00 0.00 C ATOM 0 H LEU A 23 17.155 -4.499 10.937 1.00 0.00 H new ATOM 0 HA LEU A 23 15.564 -3.647 8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 23 15.798 -6.329 10.156 1.00 0.00 H new ATOM 0 HB3 LEU A 23 15.010 -6.084 8.610 1.00 0.00 H new ATOM 0 HG LEU A 23 17.944 -5.503 9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 23 18.372 -7.623 7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 23 17.475 -7.888 9.439 1.00 0.00 H new ATOM 0 HD13 LEU A 23 16.622 -7.946 7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 23 18.075 -5.525 6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.316 -5.785 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.959 -4.269 7.238 1.00 0.00 H new ATOM 358 N ARG A 24 14.031 -4.628 11.492 1.00 0.00 N ATOM 359 CA ARG A 24 12.767 -4.622 12.222 1.00 0.00 C ATOM 360 C ARG A 24 12.330 -3.204 12.572 1.00 0.00 C ATOM 361 O ARG A 24 11.148 -2.870 12.511 1.00 0.00 O ATOM 362 CB ARG A 24 12.904 -5.455 13.496 1.00 0.00 C ATOM 363 CG ARG A 24 13.030 -6.946 13.232 1.00 0.00 C ATOM 364 CD ARG A 24 13.217 -7.723 14.524 1.00 0.00 C ATOM 365 NE ARG A 24 12.088 -7.549 15.438 1.00 0.00 N ATOM 366 CZ ARG A 24 12.162 -6.894 16.596 1.00 0.00 C ATOM 367 NH1 ARG A 24 13.306 -6.347 16.988 1.00 0.00 N ATOM 368 NH2 ARG A 24 11.086 -6.786 17.364 1.00 0.00 N ATOM 0 H ARG A 24 14.819 -4.993 12.028 1.00 0.00 H new ATOM 0 HA ARG A 24 12.003 -5.057 11.579 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.780 -5.116 14.050 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.036 -5.278 14.132 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.138 -7.303 12.717 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.876 -7.130 12.569 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.338 -8.782 14.296 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.134 -7.396 15.014 1.00 0.00 H new ATOM 0 HE ARG A 24 11.190 -7.954 15.173 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.137 -6.426 16.401 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.354 -5.847 17.876 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.204 -7.204 17.068 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.141 -6.285 18.251 1.00 0.00 H new ATOM 382 N LYS A 25 13.298 -2.384 12.960 1.00 0.00 N ATOM 383 CA LYS A 25 13.032 -1.002 13.347 1.00 0.00 C ATOM 384 C LYS A 25 13.533 -0.027 12.288 1.00 0.00 C ATOM 385 O LYS A 25 13.920 1.099 12.599 1.00 0.00 O ATOM 386 CB LYS A 25 13.690 -0.699 14.696 1.00 0.00 C ATOM 387 CG LYS A 25 13.032 -1.413 15.866 1.00 0.00 C ATOM 388 CD LYS A 25 13.719 -1.077 17.180 1.00 0.00 C ATOM 389 CE LYS A 25 13.060 -1.791 18.350 1.00 0.00 C ATOM 390 NZ LYS A 25 13.032 -3.267 18.155 1.00 0.00 N ATOM 0 H LYS A 25 14.280 -2.653 13.016 1.00 0.00 H new ATOM 0 HA LYS A 25 11.953 -0.877 13.438 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.741 -0.985 14.651 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.659 0.376 14.873 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.981 -1.131 15.921 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.065 -2.490 15.702 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.770 -1.359 17.125 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.686 0.000 17.344 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.598 -1.556 19.268 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.042 -1.422 18.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.046 -3.599 18.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.476 -3.505 17.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.554 -3.729 18.927 1.00 0.00 H new ATOM 404 N VAL A 26 13.526 -0.468 11.034 1.00 0.00 N ATOM 405 CA VAL A 26 13.983 0.361 9.923 1.00 0.00 C ATOM 406 C VAL A 26 13.241 1.702 9.878 1.00 0.00 C ATOM 407 O VAL A 26 12.038 1.753 10.113 1.00 0.00 O ATOM 408 CB VAL A 26 13.819 -0.364 8.570 1.00 0.00 C ATOM 409 CG1 VAL A 26 12.354 -0.636 8.267 1.00 0.00 C ATOM 410 CG2 VAL A 26 14.462 0.446 7.455 1.00 0.00 C ATOM 0 H VAL A 26 13.208 -1.398 10.761 1.00 0.00 H new ATOM 0 HA VAL A 26 15.043 0.552 10.093 1.00 0.00 H new ATOM 0 HB VAL A 26 14.327 -1.326 8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.270 -1.147 7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.931 -1.263 9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.810 0.308 8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.338 -0.078 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.985 1.424 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.524 0.573 7.664 1.00 0.00 H new ATOM 420 N PRO A 27 13.962 2.812 9.592 1.00 0.00 N ATOM 421 CA PRO A 27 13.367 4.160 9.531 1.00 0.00 C ATOM 422 C PRO A 27 12.208 4.254 8.523 1.00 0.00 C ATOM 423 O PRO A 27 11.387 3.344 8.424 1.00 0.00 O ATOM 424 CB PRO A 27 14.546 5.051 9.105 1.00 0.00 C ATOM 425 CG PRO A 27 15.765 4.290 9.498 1.00 0.00 C ATOM 426 CD PRO A 27 15.413 2.843 9.318 1.00 0.00 C ATOM 0 HA PRO A 27 12.922 4.452 10.482 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.529 5.242 8.032 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.508 6.020 9.602 1.00 0.00 H new ATOM 0 HG2 PRO A 27 16.617 4.566 8.877 1.00 0.00 H new ATOM 0 HG3 PRO A 27 16.042 4.500 10.531 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.640 2.496 8.310 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.967 2.205 10.007 1.00 0.00 H new ATOM 434 N HIS A 28 12.132 5.359 7.783 1.00 0.00 N ATOM 435 CA HIS A 28 11.058 5.542 6.813 1.00 0.00 C ATOM 436 C HIS A 28 11.440 4.950 5.460 1.00 0.00 C ATOM 437 O HIS A 28 12.227 5.531 4.713 1.00 0.00 O ATOM 438 CB HIS A 28 10.734 7.030 6.660 1.00 0.00 C ATOM 439 CG HIS A 28 9.602 7.306 5.720 1.00 0.00 C ATOM 440 ND1 HIS A 28 8.270 7.405 5.942 1.00 0.00 N flip ATOM 441 CD2 HIS A 28 9.780 7.517 4.369 1.00 0.00 C flip ATOM 442 CE1 HIS A 28 7.674 7.672 4.734 1.00 0.00 C flip ATOM 443 NE2 HIS A 28 8.606 7.736 3.801 1.00 0.00 N flip ATOM 0 H HIS A 28 12.795 6.133 7.836 1.00 0.00 H new ATOM 0 HA HIS A 28 10.175 5.019 7.180 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.490 7.442 7.639 1.00 0.00 H new ATOM 0 HB3 HIS A 28 11.623 7.552 6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.730 7.505 3.855 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.615 7.808 4.573 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.448 7.923 2.811 1.00 0.00 H new ATOM 452 N LEU A 29 10.868 3.788 5.154 1.00 0.00 N ATOM 453 CA LEU A 29 11.136 3.108 3.893 1.00 0.00 C ATOM 454 C LEU A 29 9.989 3.311 2.912 1.00 0.00 C ATOM 455 O LEU A 29 8.819 3.203 3.280 1.00 0.00 O ATOM 456 CB LEU A 29 11.351 1.612 4.123 1.00 0.00 C ATOM 457 CG LEU A 29 12.516 1.253 5.044 1.00 0.00 C ATOM 458 CD1 LEU A 29 12.623 -0.256 5.193 1.00 0.00 C ATOM 459 CD2 LEU A 29 13.817 1.834 4.508 1.00 0.00 C ATOM 0 H LEU A 29 10.215 3.298 5.765 1.00 0.00 H new ATOM 0 HA LEU A 29 12.043 3.539 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.437 1.190 4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.512 1.132 3.158 1.00 0.00 H new ATOM 0 HG LEU A 29 12.330 1.685 6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.457 -0.498 5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.699 -0.646 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.790 -0.707 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.636 1.569 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.014 1.431 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.734 2.919 4.449 1.00 0.00 H new ATOM 471 N VAL A 30 10.328 3.594 1.662 1.00 0.00 N ATOM 472 CA VAL A 30 9.318 3.796 0.632 1.00 0.00 C ATOM 473 C VAL A 30 9.490 2.779 -0.493 1.00 0.00 C ATOM 474 O VAL A 30 10.532 2.727 -1.146 1.00 0.00 O ATOM 475 CB VAL A 30 9.390 5.223 0.049 1.00 0.00 C ATOM 476 CG1 VAL A 30 8.284 5.452 -0.971 1.00 0.00 C ATOM 477 CG2 VAL A 30 9.319 6.256 1.164 1.00 0.00 C ATOM 0 H VAL A 30 11.290 3.689 1.337 1.00 0.00 H new ATOM 0 HA VAL A 30 8.342 3.659 1.099 1.00 0.00 H new ATOM 0 HB VAL A 30 10.345 5.334 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.358 6.465 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.387 4.736 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.314 5.319 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.371 7.257 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.381 6.142 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.154 6.110 1.849 1.00 0.00 H new ATOM 487 N VAL A 31 8.457 1.976 -0.715 1.00 0.00 N ATOM 488 CA VAL A 31 8.482 0.964 -1.762 1.00 0.00 C ATOM 489 C VAL A 31 7.294 1.144 -2.702 1.00 0.00 C ATOM 490 O VAL A 31 6.153 1.261 -2.257 1.00 0.00 O ATOM 491 CB VAL A 31 8.459 -0.461 -1.162 1.00 0.00 C ATOM 492 CG1 VAL A 31 8.497 -1.522 -2.255 1.00 0.00 C ATOM 493 CG2 VAL A 31 9.614 -0.647 -0.191 1.00 0.00 C ATOM 0 H VAL A 31 7.588 2.007 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 31 9.408 1.088 -2.323 1.00 0.00 H new ATOM 0 HB VAL A 31 7.523 -0.581 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.480 -2.513 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.630 -1.406 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.409 -1.408 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.583 -1.655 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.558 -0.499 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.530 0.079 0.617 1.00 0.00 H new ATOM 503 N GLY A 32 7.567 1.167 -4.001 1.00 0.00 N ATOM 504 CA GLY A 32 6.504 1.337 -4.973 1.00 0.00 C ATOM 505 C GLY A 32 6.910 0.901 -6.366 1.00 0.00 C ATOM 506 O GLY A 32 8.083 0.633 -6.625 1.00 0.00 O ATOM 0 H GLY A 32 8.502 1.071 -4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.633 0.763 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.204 2.385 -4.998 1.00 0.00 H new ATOM 510 N HIS A 33 5.935 0.835 -7.265 1.00 0.00 N ATOM 511 CA HIS A 33 6.189 0.433 -8.644 1.00 0.00 C ATOM 512 C HIS A 33 6.037 1.619 -9.592 1.00 0.00 C ATOM 513 O HIS A 33 5.841 1.447 -10.794 1.00 0.00 O ATOM 514 CB HIS A 33 5.233 -0.687 -9.056 1.00 0.00 C ATOM 515 CG HIS A 33 5.354 -1.920 -8.218 1.00 0.00 C ATOM 516 ND1 HIS A 33 5.993 -3.090 -8.451 1.00 0.00 N flip ATOM 517 CD2 HIS A 33 4.773 -2.045 -6.973 1.00 0.00 C flip ATOM 518 CE1 HIS A 33 5.788 -3.892 -7.356 1.00 0.00 C flip ATOM 519 NE2 HIS A 33 5.050 -3.238 -6.478 1.00 0.00 N flip ATOM 0 H HIS A 33 4.960 1.055 -7.064 1.00 0.00 H new ATOM 0 HA HIS A 33 7.214 0.068 -8.706 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.209 -0.318 -8.998 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.420 -0.947 -10.098 1.00 0.00 H new ATOM 0 HD1 HIS A 33 6.528 -3.331 -9.285 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.184 -1.286 -6.480 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.169 -4.895 -7.233 1.00 0.00 H new ATOM 528 N LYS A 34 6.123 2.821 -9.035 1.00 0.00 N ATOM 529 CA LYS A 34 5.991 4.041 -9.822 1.00 0.00 C ATOM 530 C LYS A 34 4.622 4.100 -10.507 1.00 0.00 C ATOM 531 O LYS A 34 3.676 4.675 -9.967 1.00 0.00 O ATOM 532 CB LYS A 34 7.120 4.134 -10.855 1.00 0.00 C ATOM 533 CG LYS A 34 8.488 4.392 -10.241 1.00 0.00 C ATOM 534 CD LYS A 34 9.568 4.476 -11.306 1.00 0.00 C ATOM 535 CE LYS A 34 10.937 4.728 -10.693 1.00 0.00 C ATOM 536 NZ LYS A 34 12.016 4.717 -11.719 1.00 0.00 N ATOM 0 H LYS A 34 6.284 2.977 -8.040 1.00 0.00 H new ATOM 0 HA LYS A 34 6.068 4.895 -9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.156 3.206 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.891 4.933 -11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.463 5.321 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.729 3.594 -9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.589 3.548 -11.878 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.329 5.277 -12.006 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.934 5.690 -10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.144 3.967 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.910 5.025 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.127 3.754 -12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.765 5.365 -12.493 1.00 0.00 H new ATOM 550 N SER A 35 4.522 3.512 -11.695 1.00 0.00 N ATOM 551 CA SER A 35 3.271 3.503 -12.448 1.00 0.00 C ATOM 552 C SER A 35 2.155 2.814 -11.667 1.00 0.00 C ATOM 553 O SER A 35 1.007 3.257 -11.685 1.00 0.00 O ATOM 554 CB SER A 35 3.468 2.814 -13.798 1.00 0.00 C ATOM 555 OG SER A 35 2.264 2.803 -14.545 1.00 0.00 O ATOM 0 H SER A 35 5.294 3.034 -12.159 1.00 0.00 H new ATOM 0 HA SER A 35 2.977 4.539 -12.615 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.245 3.329 -14.363 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.812 1.792 -13.641 1.00 0.00 H new ATOM 0 HG SER A 35 2.416 2.358 -15.405 1.00 0.00 H new ATOM 561 N TYR A 36 2.493 1.714 -10.996 1.00 0.00 N ATOM 562 CA TYR A 36 1.506 0.961 -10.226 1.00 0.00 C ATOM 563 C TYR A 36 1.053 1.736 -8.993 1.00 0.00 C ATOM 564 O TYR A 36 -0.129 1.732 -8.649 1.00 0.00 O ATOM 565 CB TYR A 36 2.090 -0.388 -9.799 1.00 0.00 C ATOM 566 CG TYR A 36 2.286 -1.357 -10.944 1.00 0.00 C ATOM 567 CD1 TYR A 36 3.479 -1.391 -11.655 1.00 0.00 C ATOM 568 CD2 TYR A 36 1.280 -2.241 -11.308 1.00 0.00 C ATOM 569 CE1 TYR A 36 3.660 -2.277 -12.700 1.00 0.00 C ATOM 570 CE2 TYR A 36 1.455 -3.129 -12.352 1.00 0.00 C ATOM 571 CZ TYR A 36 2.645 -3.143 -13.044 1.00 0.00 C ATOM 572 OH TYR A 36 2.822 -4.027 -14.084 1.00 0.00 O ATOM 0 H TYR A 36 3.436 1.327 -10.970 1.00 0.00 H new ATOM 0 HA TYR A 36 0.638 0.799 -10.866 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.049 -0.220 -9.309 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.430 -0.842 -9.060 1.00 0.00 H new ATOM 0 HD1 TYR A 36 4.277 -0.715 -11.387 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.346 -2.235 -10.767 1.00 0.00 H new ATOM 0 HE1 TYR A 36 4.593 -2.291 -13.244 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.662 -3.809 -12.624 1.00 0.00 H new ATOM 0 HH TYR A 36 2.012 -4.567 -14.196 1.00 0.00 H new ATOM 582 N GLY A 37 1.993 2.406 -8.335 1.00 0.00 N ATOM 583 CA GLY A 37 1.663 3.177 -7.150 1.00 0.00 C ATOM 584 C GLY A 37 2.783 3.176 -6.128 1.00 0.00 C ATOM 585 O GLY A 37 3.626 2.279 -6.121 1.00 0.00 O ATOM 0 H GLY A 37 2.977 2.429 -8.601 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.440 4.204 -7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.760 2.770 -6.695 1.00 0.00 H new ATOM 589 N LYS A 38 2.794 4.187 -5.265 1.00 0.00 N ATOM 590 CA LYS A 38 3.823 4.303 -4.237 1.00 0.00 C ATOM 591 C LYS A 38 3.324 3.810 -2.879 1.00 0.00 C ATOM 592 O LYS A 38 2.233 4.169 -2.437 1.00 0.00 O ATOM 593 CB LYS A 38 4.298 5.752 -4.124 1.00 0.00 C ATOM 594 CG LYS A 38 5.105 6.222 -5.324 1.00 0.00 C ATOM 595 CD LYS A 38 5.552 7.666 -5.164 1.00 0.00 C ATOM 596 CE LYS A 38 6.615 7.804 -4.086 1.00 0.00 C ATOM 597 NZ LYS A 38 7.129 9.197 -3.987 1.00 0.00 N ATOM 0 H LYS A 38 2.103 4.937 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 38 4.659 3.670 -4.536 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.431 6.402 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.904 5.858 -3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.978 5.582 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.505 6.124 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.944 8.034 -6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.693 8.288 -4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.199 7.502 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.441 7.127 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.852 9.248 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.550 9.477 -4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.346 9.840 -3.755 1.00 0.00 H new ATOM 611 N ILE A 39 4.141 2.991 -2.223 1.00 0.00 N ATOM 612 CA ILE A 39 3.805 2.445 -0.910 1.00 0.00 C ATOM 613 C ILE A 39 4.858 2.871 0.115 1.00 0.00 C ATOM 614 O ILE A 39 6.053 2.859 -0.177 1.00 0.00 O ATOM 615 CB ILE A 39 3.718 0.899 -0.956 1.00 0.00 C ATOM 616 CG1 ILE A 39 2.640 0.463 -1.950 1.00 0.00 C ATOM 617 CG2 ILE A 39 3.417 0.327 0.426 1.00 0.00 C ATOM 618 CD1 ILE A 39 2.650 -1.022 -2.234 1.00 0.00 C ATOM 0 H ILE A 39 5.047 2.689 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 39 2.830 2.836 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 39 4.684 0.513 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.662 0.744 -1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.778 1.005 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.361 -0.760 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.209 0.612 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.465 0.720 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.860 -1.262 -2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.615 -1.306 -2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.481 -1.571 -1.307 1.00 0.00 H new ATOM 630 N GLU A 40 4.417 3.262 1.309 1.00 0.00 N ATOM 631 CA GLU A 40 5.348 3.699 2.347 1.00 0.00 C ATOM 632 C GLU A 40 5.109 2.973 3.670 1.00 0.00 C ATOM 633 O GLU A 40 3.971 2.818 4.113 1.00 0.00 O ATOM 634 CB GLU A 40 5.221 5.208 2.566 1.00 0.00 C ATOM 635 CG GLU A 40 5.748 6.037 1.406 1.00 0.00 C ATOM 636 CD GLU A 40 5.579 7.527 1.632 1.00 0.00 C ATOM 637 OE1 GLU A 40 4.458 8.036 1.418 1.00 0.00 O ATOM 638 OE2 GLU A 40 6.565 8.185 2.019 1.00 0.00 O ATOM 0 H GLU A 40 3.434 3.285 1.580 1.00 0.00 H new ATOM 0 HA GLU A 40 6.354 3.456 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.173 5.456 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.761 5.482 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.804 5.813 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.227 5.750 0.493 1.00 0.00 H new ATOM 646 N PHE A 41 6.203 2.548 4.297 1.00 0.00 N ATOM 647 CA PHE A 41 6.143 1.853 5.579 1.00 0.00 C ATOM 648 C PHE A 41 6.694 2.729 6.696 1.00 0.00 C ATOM 649 O PHE A 41 7.532 3.599 6.459 1.00 0.00 O ATOM 650 CB PHE A 41 6.930 0.545 5.530 1.00 0.00 C ATOM 651 CG PHE A 41 6.294 -0.511 4.672 1.00 0.00 C ATOM 652 CD1 PHE A 41 6.603 -0.606 3.324 1.00 0.00 C ATOM 653 CD2 PHE A 41 5.389 -1.410 5.214 1.00 0.00 C ATOM 654 CE1 PHE A 41 6.020 -1.577 2.534 1.00 0.00 C ATOM 655 CE2 PHE A 41 4.803 -2.383 4.427 1.00 0.00 C ATOM 656 CZ PHE A 41 5.119 -2.466 3.086 1.00 0.00 C ATOM 0 H PHE A 41 7.148 2.674 3.934 1.00 0.00 H new ATOM 0 HA PHE A 41 5.095 1.630 5.781 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.933 0.749 5.156 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.040 0.159 6.544 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.307 0.087 2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.139 -1.349 6.263 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.269 -1.641 1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.099 -3.078 4.861 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.662 -3.226 2.469 1.00 0.00 H new ATOM 666 N LEU A 42 6.231 2.485 7.915 1.00 0.00 N ATOM 667 CA LEU A 42 6.687 3.235 9.061 1.00 0.00 C ATOM 668 C LEU A 42 8.054 2.725 9.514 1.00 0.00 C ATOM 669 O LEU A 42 8.783 2.094 8.747 1.00 0.00 O ATOM 670 CB LEU A 42 5.661 3.136 10.198 1.00 0.00 C ATOM 671 CG LEU A 42 5.473 4.413 11.016 1.00 0.00 C ATOM 672 CD1 LEU A 42 4.954 5.539 10.135 1.00 0.00 C ATOM 673 CD2 LEU A 42 4.528 4.165 12.182 1.00 0.00 C ATOM 0 H LEU A 42 5.537 1.769 8.128 1.00 0.00 H new ATOM 0 HA LEU A 42 6.789 4.284 8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.699 2.850 9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.964 2.334 10.871 1.00 0.00 H new ATOM 0 HG LEU A 42 6.441 4.711 11.418 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.826 6.440 10.734 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.668 5.734 9.335 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.995 5.251 9.704 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.406 5.085 12.753 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.559 3.842 11.802 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.942 3.390 12.827 1.00 0.00 H new ATOM 685 N GLU A 43 8.393 3.021 10.754 1.00 0.00 N ATOM 686 CA GLU A 43 9.677 2.623 11.333 1.00 0.00 C ATOM 687 C GLU A 43 9.663 1.185 11.863 1.00 0.00 C ATOM 688 O GLU A 43 10.571 0.408 11.573 1.00 0.00 O ATOM 689 CB GLU A 43 10.062 3.582 12.461 1.00 0.00 C ATOM 690 CG GLU A 43 9.971 5.048 12.072 1.00 0.00 C ATOM 691 CD GLU A 43 10.072 5.975 13.267 1.00 0.00 C ATOM 692 OE1 GLU A 43 11.071 5.880 14.011 1.00 0.00 O ATOM 693 OE2 GLU A 43 9.152 6.798 13.460 1.00 0.00 O ATOM 0 H GLU A 43 7.793 3.543 11.393 1.00 0.00 H new ATOM 0 HA GLU A 43 10.416 2.669 10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.413 3.401 13.318 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.080 3.362 12.781 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.768 5.283 11.366 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.027 5.226 11.558 1.00 0.00 H new ATOM 701 N PRO A 44 8.652 0.813 12.674 1.00 0.00 N ATOM 702 CA PRO A 44 8.563 -0.533 13.260 1.00 0.00 C ATOM 703 C PRO A 44 8.291 -1.626 12.227 1.00 0.00 C ATOM 704 O PRO A 44 7.368 -2.427 12.386 1.00 0.00 O ATOM 705 CB PRO A 44 7.392 -0.429 14.251 1.00 0.00 C ATOM 706 CG PRO A 44 7.129 1.032 14.410 1.00 0.00 C ATOM 707 CD PRO A 44 7.539 1.669 13.114 1.00 0.00 C ATOM 0 HA PRO A 44 9.508 -0.821 13.722 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.511 -0.947 13.872 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.645 -0.888 15.207 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.076 1.218 14.620 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.698 1.443 15.244 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.724 1.678 12.391 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.853 2.704 13.252 1.00 0.00 H new ATOM 715 N VAL A 45 9.105 -1.668 11.175 1.00 0.00 N ATOM 716 CA VAL A 45 8.951 -2.677 10.134 1.00 0.00 C ATOM 717 C VAL A 45 9.582 -4.002 10.565 1.00 0.00 C ATOM 718 O VAL A 45 10.582 -4.443 9.996 1.00 0.00 O ATOM 719 CB VAL A 45 9.577 -2.219 8.802 1.00 0.00 C ATOM 720 CG1 VAL A 45 9.197 -3.170 7.678 1.00 0.00 C ATOM 721 CG2 VAL A 45 9.153 -0.796 8.470 1.00 0.00 C ATOM 0 H VAL A 45 9.875 -1.017 11.022 1.00 0.00 H new ATOM 0 HA VAL A 45 7.881 -2.819 9.982 1.00 0.00 H new ATOM 0 HB VAL A 45 10.662 -2.234 8.910 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.648 -2.830 6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.557 -4.172 7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.113 -3.191 7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.606 -0.492 7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.067 -0.751 8.383 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.482 -0.124 9.263 1.00 0.00 H new ATOM 731 N ASP A 46 8.998 -4.634 11.580 1.00 0.00 N ATOM 732 CA ASP A 46 9.513 -5.901 12.087 1.00 0.00 C ATOM 733 C ASP A 46 9.413 -6.995 11.029 1.00 0.00 C ATOM 734 O ASP A 46 8.385 -7.662 10.908 1.00 0.00 O ATOM 735 CB ASP A 46 8.745 -6.321 13.342 1.00 0.00 C ATOM 736 CG ASP A 46 9.384 -7.502 14.045 1.00 0.00 C ATOM 737 OD1 ASP A 46 9.102 -7.703 15.245 1.00 0.00 O ATOM 738 OD2 ASP A 46 10.169 -8.226 13.397 1.00 0.00 O ATOM 0 H ASP A 46 8.170 -4.290 12.066 1.00 0.00 H new ATOM 0 HA ASP A 46 10.564 -5.760 12.339 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.692 -5.478 14.031 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.721 -6.575 13.069 1.00 0.00 H new ATOM 744 N LEU A 47 10.487 -7.172 10.263 1.00 0.00 N ATOM 745 CA LEU A 47 10.513 -8.186 9.214 1.00 0.00 C ATOM 746 C LEU A 47 11.361 -9.391 9.623 1.00 0.00 C ATOM 747 O LEU A 47 10.938 -10.535 9.471 1.00 0.00 O ATOM 748 CB LEU A 47 11.056 -7.589 7.915 1.00 0.00 C ATOM 749 CG LEU A 47 10.132 -6.582 7.229 1.00 0.00 C ATOM 750 CD1 LEU A 47 10.861 -5.876 6.097 1.00 0.00 C ATOM 751 CD2 LEU A 47 8.883 -7.276 6.709 1.00 0.00 C ATOM 0 H LEU A 47 11.346 -6.629 10.349 1.00 0.00 H new ATOM 0 HA LEU A 47 9.490 -8.527 9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.007 -7.100 8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.264 -8.401 7.219 1.00 0.00 H new ATOM 0 HG LEU A 47 9.830 -5.834 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.189 -5.163 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.727 -5.347 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.191 -6.611 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.236 -6.545 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.166 -8.044 5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.350 -7.737 7.541 1.00 0.00 H new ATOM 763 N ALA A 48 12.562 -9.114 10.136 1.00 0.00 N ATOM 764 CA ALA A 48 13.508 -10.152 10.576 1.00 0.00 C ATOM 765 C ALA A 48 13.533 -11.370 9.636 1.00 0.00 C ATOM 766 O ALA A 48 14.308 -11.400 8.677 1.00 0.00 O ATOM 767 CB ALA A 48 13.196 -10.574 12.004 1.00 0.00 C ATOM 0 H ALA A 48 12.910 -8.163 10.260 1.00 0.00 H new ATOM 0 HA ALA A 48 14.506 -9.716 10.541 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.902 -11.342 12.319 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.280 -9.711 12.665 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.182 -10.971 12.053 1.00 0.00 H new ATOM 773 N GLY A 49 12.685 -12.365 9.905 1.00 0.00 N ATOM 774 CA GLY A 49 12.640 -13.548 9.060 1.00 0.00 C ATOM 775 C GLY A 49 12.125 -13.228 7.672 1.00 0.00 C ATOM 776 O GLY A 49 12.769 -13.556 6.686 1.00 0.00 O ATOM 0 H GLY A 49 12.032 -12.372 10.689 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.638 -13.981 8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.000 -14.300 9.521 1.00 0.00 H new ATOM 780 N ILE A 50 10.968 -12.568 7.628 1.00 0.00 N ATOM 781 CA ILE A 50 10.302 -12.135 6.390 1.00 0.00 C ATOM 782 C ILE A 50 11.054 -10.985 5.711 1.00 0.00 C ATOM 783 O ILE A 50 10.868 -9.829 6.086 1.00 0.00 O ATOM 784 CB ILE A 50 8.849 -11.697 6.660 1.00 0.00 C ATOM 785 CG1 ILE A 50 8.808 -10.601 7.729 1.00 0.00 C ATOM 786 CG2 ILE A 50 8.007 -12.890 7.088 1.00 0.00 C ATOM 787 CD1 ILE A 50 7.427 -10.019 7.946 1.00 0.00 C ATOM 0 H ILE A 50 10.452 -12.311 8.470 1.00 0.00 H new ATOM 0 HA ILE A 50 10.301 -12.996 5.722 1.00 0.00 H new ATOM 0 HB ILE A 50 8.433 -11.292 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 50 9.173 -11.010 8.671 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.490 -9.800 7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.984 -12.565 7.275 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.011 -13.640 6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.423 -13.321 7.999 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.474 -9.249 8.716 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.067 -9.580 7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.745 -10.808 8.263 1.00 0.00 H new ATOM 799 N PRO A 51 11.980 -11.266 4.771 1.00 0.00 N ATOM 800 CA PRO A 51 12.797 -10.250 4.142 1.00 0.00 C ATOM 801 C PRO A 51 12.520 -10.074 2.651 1.00 0.00 C ATOM 802 O PRO A 51 11.663 -10.741 2.074 1.00 0.00 O ATOM 803 CB PRO A 51 14.164 -10.893 4.318 1.00 0.00 C ATOM 804 CG PRO A 51 13.903 -12.369 4.130 1.00 0.00 C ATOM 805 CD PRO A 51 12.406 -12.579 4.301 1.00 0.00 C ATOM 0 HA PRO A 51 12.646 -9.256 4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 51 14.878 -10.518 3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.579 -10.684 5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.228 -12.696 3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 51 14.461 -12.956 4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.921 -12.857 3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.182 -13.365 5.022 1.00 0.00 H new ATOM 813 N LEU A 52 13.252 -9.144 2.053 1.00 0.00 N ATOM 814 CA LEU A 52 13.107 -8.818 0.641 1.00 0.00 C ATOM 815 C LEU A 52 13.367 -10.019 -0.265 1.00 0.00 C ATOM 816 O LEU A 52 13.078 -9.966 -1.460 1.00 0.00 O ATOM 817 CB LEU A 52 14.043 -7.667 0.282 1.00 0.00 C ATOM 818 CG LEU A 52 13.694 -6.336 0.954 1.00 0.00 C ATOM 819 CD1 LEU A 52 14.804 -5.321 0.740 1.00 0.00 C ATOM 820 CD2 LEU A 52 12.373 -5.802 0.424 1.00 0.00 C ATOM 0 H LEU A 52 13.964 -8.594 2.534 1.00 0.00 H new ATOM 0 HA LEU A 52 12.072 -8.518 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.061 -7.943 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.031 -7.529 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 52 13.591 -6.509 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.537 -4.382 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 52 15.731 -5.700 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.941 -5.151 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.141 -4.856 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.449 -5.646 -0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.581 -6.521 0.631 1.00 0.00 H new ATOM 906 N ILE A 59 6.293 -10.540 1.077 1.00 0.00 N ATOM 907 CA ILE A 59 6.670 -9.169 1.408 1.00 0.00 C ATOM 908 C ILE A 59 5.633 -8.156 0.919 1.00 0.00 C ATOM 909 O ILE A 59 4.810 -7.675 1.698 1.00 0.00 O ATOM 910 CB ILE A 59 8.062 -8.817 0.821 1.00 0.00 C ATOM 911 CG1 ILE A 59 9.126 -9.759 1.384 1.00 0.00 C ATOM 912 CG2 ILE A 59 8.440 -7.371 1.119 1.00 0.00 C ATOM 913 CD1 ILE A 59 9.287 -9.652 2.885 1.00 0.00 C ATOM 0 HA ILE A 59 6.715 -9.110 2.495 1.00 0.00 H new ATOM 0 HB ILE A 59 8.008 -8.938 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.866 -10.785 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.082 -9.543 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.421 -7.156 0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.700 -6.703 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.470 -7.218 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.057 -10.347 3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.577 -8.635 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.342 -9.897 3.371 1.00 0.00 H new ATOM 925 N ILE A 60 5.682 -7.822 -0.367 1.00 0.00 N ATOM 926 CA ILE A 60 4.754 -6.849 -0.929 1.00 0.00 C ATOM 927 C ILE A 60 4.104 -7.340 -2.220 1.00 0.00 C ATOM 928 O ILE A 60 4.789 -7.764 -3.151 1.00 0.00 O ATOM 929 CB ILE A 60 5.460 -5.504 -1.202 1.00 0.00 C ATOM 930 CG1 ILE A 60 6.232 -5.048 0.036 1.00 0.00 C ATOM 931 CG2 ILE A 60 4.451 -4.442 -1.618 1.00 0.00 C ATOM 932 CD1 ILE A 60 5.359 -4.849 1.253 1.00 0.00 C ATOM 0 H ILE A 60 6.350 -8.208 -1.035 1.00 0.00 H new ATOM 0 HA ILE A 60 3.971 -6.711 -0.183 1.00 0.00 H new ATOM 0 HB ILE A 60 6.165 -5.647 -2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.000 -5.786 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.745 -4.113 -0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.969 -3.502 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.939 -4.762 -2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.721 -4.301 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.974 -4.526 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.606 -4.090 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.866 -5.788 1.505 1.00 0.00 H new ATOM 944 N THR A 61 2.781 -7.236 -2.281 1.00 0.00 N ATOM 945 CA THR A 61 2.036 -7.626 -3.471 1.00 0.00 C ATOM 946 C THR A 61 1.283 -6.407 -3.991 1.00 0.00 C ATOM 947 O THR A 61 0.612 -5.718 -3.223 1.00 0.00 O ATOM 948 CB THR A 61 1.059 -8.759 -3.151 1.00 0.00 C ATOM 949 OG1 THR A 61 1.753 -9.897 -2.672 1.00 0.00 O ATOM 950 CG2 THR A 61 0.236 -9.195 -4.344 1.00 0.00 C ATOM 0 H THR A 61 2.202 -6.884 -1.518 1.00 0.00 H new ATOM 0 HA THR A 61 2.727 -7.989 -4.232 1.00 0.00 H new ATOM 0 HB THR A 61 0.387 -8.356 -2.393 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.112 -10.610 -2.471 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.436 -10.001 -4.048 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.349 -8.351 -4.710 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.899 -9.547 -5.134 1.00 0.00 H new ATOM 958 N PHE A 62 1.414 -6.116 -5.282 1.00 0.00 N ATOM 959 CA PHE A 62 0.752 -4.945 -5.843 1.00 0.00 C ATOM 960 C PHE A 62 0.132 -5.225 -7.209 1.00 0.00 C ATOM 961 O PHE A 62 0.836 -5.401 -8.203 1.00 0.00 O ATOM 962 CB PHE A 62 1.758 -3.800 -5.957 1.00 0.00 C ATOM 963 CG PHE A 62 1.129 -2.450 -6.145 1.00 0.00 C ATOM 964 CD1 PHE A 62 0.689 -2.041 -7.392 1.00 0.00 C ATOM 965 CD2 PHE A 62 0.983 -1.589 -5.070 1.00 0.00 C ATOM 966 CE1 PHE A 62 0.113 -0.795 -7.563 1.00 0.00 C ATOM 967 CE2 PHE A 62 0.410 -0.343 -5.236 1.00 0.00 C ATOM 968 CZ PHE A 62 -0.025 0.054 -6.484 1.00 0.00 C ATOM 0 H PHE A 62 1.961 -6.663 -5.947 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.061 -4.671 -5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.374 -3.780 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.425 -3.998 -6.796 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.796 -2.701 -8.240 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.321 -1.895 -4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.228 -0.487 -8.540 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.303 0.320 -4.390 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.473 1.028 -6.616 1.00 0.00 H new ATOM 978 N GLU A 63 -1.196 -5.221 -7.248 1.00 0.00 N ATOM 979 CA GLU A 63 -1.936 -5.427 -8.485 1.00 0.00 C ATOM 980 C GLU A 63 -1.862 -4.162 -9.335 1.00 0.00 C ATOM 981 O GLU A 63 -1.822 -3.059 -8.791 1.00 0.00 O ATOM 982 CB GLU A 63 -3.394 -5.781 -8.186 1.00 0.00 C ATOM 983 CG GLU A 63 -3.573 -7.160 -7.575 1.00 0.00 C ATOM 984 CD GLU A 63 -5.030 -7.565 -7.467 1.00 0.00 C ATOM 985 OE1 GLU A 63 -5.323 -8.771 -7.614 1.00 0.00 O ATOM 986 OE2 GLU A 63 -5.878 -6.678 -7.235 1.00 0.00 O ATOM 0 H GLU A 63 -1.785 -5.076 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.491 -6.257 -9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.808 -5.036 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.969 -5.725 -9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.040 -7.893 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.121 -7.175 -6.583 1.00 0.00 H new ATOM 994 N PRO A 64 -1.828 -4.284 -10.674 1.00 0.00 N ATOM 995 CA PRO A 64 -1.746 -3.115 -11.550 1.00 0.00 C ATOM 996 C PRO A 64 -3.038 -2.310 -11.580 1.00 0.00 C ATOM 997 O PRO A 64 -3.603 -2.050 -12.642 1.00 0.00 O ATOM 998 CB PRO A 64 -1.440 -3.714 -12.922 1.00 0.00 C ATOM 999 CG PRO A 64 -1.999 -5.094 -12.865 1.00 0.00 C ATOM 1000 CD PRO A 64 -1.854 -5.548 -11.435 1.00 0.00 C ATOM 0 HA PRO A 64 -0.992 -2.406 -11.209 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.902 -3.132 -13.720 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.368 -3.729 -13.118 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.045 -5.103 -13.172 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.462 -5.760 -13.541 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.685 -6.184 -11.129 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.941 -6.124 -11.287 1.00 0.00 H new ATOM 1008 N LYS A 65 -3.485 -1.915 -10.394 1.00 0.00 N ATOM 1009 CA LYS A 65 -4.703 -1.130 -10.220 1.00 0.00 C ATOM 1010 C LYS A 65 -5.081 -1.097 -8.744 1.00 0.00 C ATOM 1011 O LYS A 65 -5.713 -0.154 -8.269 1.00 0.00 O ATOM 1012 CB LYS A 65 -5.862 -1.708 -11.039 1.00 0.00 C ATOM 1013 CG LYS A 65 -7.146 -0.909 -10.907 1.00 0.00 C ATOM 1014 CD LYS A 65 -8.271 -1.513 -11.732 1.00 0.00 C ATOM 1015 CE LYS A 65 -9.554 -0.709 -11.597 1.00 0.00 C ATOM 1016 NZ LYS A 65 -10.634 -1.236 -12.477 1.00 0.00 N ATOM 0 H LYS A 65 -3.009 -2.132 -9.518 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.511 -0.118 -10.577 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.572 -1.747 -12.089 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.046 -2.734 -10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.444 -0.869 -9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.970 0.118 -11.228 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.974 -1.553 -12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.448 -2.540 -11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.888 -0.730 -10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.357 0.333 -11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.492 -0.661 -12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.325 -1.193 -13.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.840 -2.223 -12.221 1.00 0.00 H new ATOM 1030 N THR A 66 -4.685 -2.146 -8.030 1.00 0.00 N ATOM 1031 CA THR A 66 -4.972 -2.263 -6.603 1.00 0.00 C ATOM 1032 C THR A 66 -3.774 -2.838 -5.855 1.00 0.00 C ATOM 1033 O THR A 66 -3.067 -3.698 -6.372 1.00 0.00 O ATOM 1034 CB THR A 66 -6.201 -3.146 -6.379 1.00 0.00 C ATOM 1035 OG1 THR A 66 -7.293 -2.692 -7.158 1.00 0.00 O ATOM 1036 CG2 THR A 66 -6.652 -3.188 -4.935 1.00 0.00 C ATOM 0 H THR A 66 -4.162 -2.931 -8.418 1.00 0.00 H new ATOM 0 HA THR A 66 -5.176 -1.265 -6.215 1.00 0.00 H new ATOM 0 HB THR A 66 -5.895 -4.149 -6.676 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.069 -3.270 -7.002 1.00 0.00 H new ATOM 0 HG21 THR A 66 -7.527 -3.831 -4.846 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.847 -3.582 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.907 -2.181 -4.604 1.00 0.00 H new ATOM 1044 N CYS A 67 -3.552 -2.363 -4.635 1.00 0.00 N ATOM 1045 CA CYS A 67 -2.437 -2.841 -3.823 1.00 0.00 C ATOM 1046 C CYS A 67 -2.910 -3.867 -2.798 1.00 0.00 C ATOM 1047 O CYS A 67 -3.756 -3.570 -1.953 1.00 0.00 O ATOM 1048 CB CYS A 67 -1.759 -1.670 -3.113 1.00 0.00 C ATOM 1049 SG CYS A 67 -0.333 -2.148 -2.109 1.00 0.00 S ATOM 0 H CYS A 67 -4.127 -1.650 -4.187 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.717 -3.322 -4.486 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.438 -0.942 -3.858 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.490 -1.172 -2.475 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.733 -2.866 -1.102 1.00 0.00 H new ATOM 1055 N ILE A 68 -2.363 -5.078 -2.878 1.00 0.00 N ATOM 1056 CA ILE A 68 -2.737 -6.144 -1.956 1.00 0.00 C ATOM 1057 C ILE A 68 -1.647 -6.383 -0.914 1.00 0.00 C ATOM 1058 O ILE A 68 -0.510 -6.724 -1.248 1.00 0.00 O ATOM 1059 CB ILE A 68 -3.013 -7.461 -2.710 1.00 0.00 C ATOM 1060 CG1 ILE A 68 -3.990 -7.218 -3.862 1.00 0.00 C ATOM 1061 CG2 ILE A 68 -3.561 -8.517 -1.760 1.00 0.00 C ATOM 1062 CD1 ILE A 68 -5.330 -6.676 -3.413 1.00 0.00 C ATOM 0 H ILE A 68 -1.662 -5.343 -3.570 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.648 -5.823 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.073 -7.827 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.541 -6.518 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.147 -8.154 -4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.749 -9.439 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.835 -8.708 -0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.492 -8.161 -1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.972 -6.528 -4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.800 -7.385 -2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.185 -5.724 -2.902 1.00 0.00 H new ATOM 1074 N ILE A 69 -2.009 -6.211 0.354 1.00 0.00 N ATOM 1075 CA ILE A 69 -1.075 -6.415 1.452 1.00 0.00 C ATOM 1076 C ILE A 69 -1.634 -7.415 2.462 1.00 0.00 C ATOM 1077 O ILE A 69 -0.911 -8.272 2.972 1.00 0.00 O ATOM 1078 CB ILE A 69 -0.745 -5.084 2.165 1.00 0.00 C ATOM 1079 CG1 ILE A 69 0.331 -5.296 3.232 1.00 0.00 C ATOM 1080 CG2 ILE A 69 -1.998 -4.476 2.780 1.00 0.00 C ATOM 1081 CD1 ILE A 69 0.879 -4.006 3.804 1.00 0.00 C ATOM 0 H ILE A 69 -2.945 -5.930 0.645 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.156 -6.816 1.025 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.358 -4.387 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.085 -5.895 4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.151 -5.870 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.742 -3.540 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.731 -4.283 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.419 -5.169 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.637 -4.233 4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.325 -3.414 3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.070 -3.440 4.266 1.00 0.00 H new ATOM 1093 N TYR A 70 -2.928 -7.294 2.750 1.00 0.00 N ATOM 1094 CA TYR A 70 -3.592 -8.179 3.699 1.00 0.00 C ATOM 1095 C TYR A 70 -3.511 -9.633 3.237 1.00 0.00 C ATOM 1096 O TYR A 70 -3.294 -10.540 4.041 1.00 0.00 O ATOM 1097 CB TYR A 70 -5.052 -7.757 3.879 1.00 0.00 C ATOM 1098 CG TYR A 70 -5.825 -8.618 4.852 1.00 0.00 C ATOM 1099 CD1 TYR A 70 -5.870 -8.298 6.204 1.00 0.00 C ATOM 1100 CD2 TYR A 70 -6.516 -9.743 4.421 1.00 0.00 C ATOM 1101 CE1 TYR A 70 -6.580 -9.077 7.098 1.00 0.00 C ATOM 1102 CE2 TYR A 70 -7.228 -10.526 5.310 1.00 0.00 C ATOM 1103 CZ TYR A 70 -7.257 -10.188 6.647 1.00 0.00 C ATOM 1104 OH TYR A 70 -7.965 -10.966 7.534 1.00 0.00 O ATOM 0 H TYR A 70 -3.538 -6.588 2.337 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.081 -8.100 4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.081 -6.723 4.222 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.550 -7.785 2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -5.342 -7.427 6.562 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.497 -10.010 3.375 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.604 -8.816 8.146 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.759 -11.399 4.959 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.726 -11.377 7.073 1.00 0.00 H new ATOM 1114 N ALA A 71 -3.684 -9.845 1.934 1.00 0.00 N ATOM 1115 CA ALA A 71 -3.628 -11.186 1.359 1.00 0.00 C ATOM 1116 C ALA A 71 -4.650 -12.115 2.005 1.00 0.00 C ATOM 1117 O ALA A 71 -5.495 -11.680 2.784 1.00 0.00 O ATOM 1118 CB ALA A 71 -2.227 -11.760 1.505 1.00 0.00 C ATOM 0 H ALA A 71 -3.864 -9.104 1.256 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.874 -11.107 0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.197 -12.760 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.515 -11.119 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.964 -11.813 2.561 1.00 0.00 H new ATOM 1124 N ASN A 72 -4.561 -13.400 1.680 1.00 0.00 N ATOM 1125 CA ASN A 72 -5.473 -14.394 2.235 1.00 0.00 C ATOM 1126 C ASN A 72 -5.194 -14.619 3.719 1.00 0.00 C ATOM 1127 O ASN A 72 -6.045 -15.116 4.443 1.00 0.00 O ATOM 1128 CB ASN A 72 -5.346 -15.714 1.474 1.00 0.00 C ATOM 1129 CG ASN A 72 -6.434 -16.702 1.846 1.00 0.00 C ATOM 1130 OD1 ASN A 72 -6.174 -17.715 2.494 1.00 0.00 O ATOM 1131 ND2 ASN A 72 -7.663 -16.411 1.435 1.00 0.00 N ATOM 0 H ASN A 72 -3.867 -13.778 1.035 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.490 -14.018 2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.388 -15.518 0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.371 -16.157 1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.436 -17.039 1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.834 -15.560 0.900 1.00 0.00 H new ATOM 1138 N LEU A 73 -3.984 -14.242 4.137 1.00 0.00 N ATOM 1139 CA LEU A 73 -3.502 -14.363 5.524 1.00 0.00 C ATOM 1140 C LEU A 73 -4.204 -13.388 6.480 1.00 0.00 C ATOM 1141 O LEU A 73 -3.748 -12.254 6.636 1.00 0.00 O ATOM 1142 CB LEU A 73 -1.990 -14.140 5.581 1.00 0.00 C ATOM 1143 CG LEU A 73 -1.347 -14.447 6.935 1.00 0.00 C ATOM 1144 CD1 LEU A 73 0.095 -14.892 6.754 1.00 0.00 C ATOM 1145 CD2 LEU A 73 -1.423 -13.231 7.847 1.00 0.00 C ATOM 0 H LEU A 73 -3.292 -13.834 3.509 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.741 -15.374 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.516 -14.761 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.780 -13.102 5.322 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.899 -15.263 7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.535 -15.106 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.124 -15.791 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.662 -14.099 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.961 -13.466 8.806 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.896 -12.396 7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.467 -12.959 8.004 1.00 0.00 H new ATOM 1157 N PRO A 74 -5.322 -13.786 7.128 1.00 0.00 N ATOM 1158 CA PRO A 74 -6.045 -12.902 8.055 1.00 0.00 C ATOM 1159 C PRO A 74 -5.262 -12.638 9.339 1.00 0.00 C ATOM 1160 O PRO A 74 -5.807 -12.719 10.440 1.00 0.00 O ATOM 1161 CB PRO A 74 -7.327 -13.679 8.359 1.00 0.00 C ATOM 1162 CG PRO A 74 -6.953 -15.106 8.164 1.00 0.00 C ATOM 1163 CD PRO A 74 -5.947 -15.119 7.044 1.00 0.00 C ATOM 0 HA PRO A 74 -6.220 -11.916 7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.671 -13.494 9.377 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.137 -13.386 7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.528 -15.527 9.075 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.826 -15.708 7.912 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.214 -15.915 7.172 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.425 -15.278 6.077 1.00 0.00 H new ATOM 1171 N ASN A 75 -3.982 -12.322 9.186 1.00 0.00 N ATOM 1172 CA ASN A 75 -3.112 -12.044 10.322 1.00 0.00 C ATOM 1173 C ASN A 75 -3.026 -13.249 11.255 1.00 0.00 C ATOM 1174 O ASN A 75 -2.819 -13.099 12.459 1.00 0.00 O ATOM 1175 CB ASN A 75 -3.622 -10.825 11.091 1.00 0.00 C ATOM 1176 CG ASN A 75 -3.662 -9.575 10.234 1.00 0.00 C ATOM 1177 OD1 ASN A 75 -4.702 -8.929 10.104 1.00 0.00 O ATOM 1178 ND2 ASN A 75 -2.525 -9.227 9.641 1.00 0.00 N ATOM 0 H ASN A 75 -3.521 -12.252 8.279 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.113 -11.835 9.939 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.622 -11.032 11.473 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.981 -10.649 11.955 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.491 -8.396 9.051 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.686 -9.791 9.776 1.00 0.00 H new ATOM 1185 N ARG A 76 -3.179 -14.444 10.686 1.00 0.00 N ATOM 1186 CA ARG A 76 -3.109 -15.684 11.461 1.00 0.00 C ATOM 1187 C ARG A 76 -1.850 -15.736 12.333 1.00 0.00 C ATOM 1188 O ARG A 76 -1.931 -16.012 13.531 1.00 0.00 O ATOM 1189 CB ARG A 76 -3.145 -16.894 10.526 1.00 0.00 C ATOM 1190 CG ARG A 76 -4.498 -17.114 9.871 1.00 0.00 C ATOM 1191 CD ARG A 76 -4.495 -18.350 8.984 1.00 0.00 C ATOM 1192 NE ARG A 76 -5.808 -18.605 8.397 1.00 0.00 N ATOM 1193 CZ ARG A 76 -6.218 -19.802 7.979 1.00 0.00 C ATOM 1194 NH1 ARG A 76 -5.421 -20.858 8.080 1.00 0.00 N ATOM 1195 NH2 ARG A 76 -7.431 -19.943 7.459 1.00 0.00 N ATOM 0 H ARG A 76 -3.352 -14.581 9.690 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.976 -15.709 12.121 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.391 -16.766 9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.874 -17.787 11.089 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.263 -17.219 10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.762 -16.239 9.277 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.761 -18.224 8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.185 -19.216 9.569 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.450 -17.819 8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.488 -20.756 8.480 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.741 -21.771 7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.049 -19.135 7.379 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.745 -20.859 7.139 1.00 0.00 H new ATOM 1209 N PRO A 77 -0.661 -15.469 11.748 1.00 0.00 N ATOM 1210 CA PRO A 77 0.600 -15.492 12.490 1.00 0.00 C ATOM 1211 C PRO A 77 0.839 -14.202 13.267 1.00 0.00 C ATOM 1212 O PRO A 77 1.949 -13.672 13.283 1.00 0.00 O ATOM 1213 CB PRO A 77 1.640 -15.648 11.384 1.00 0.00 C ATOM 1214 CG PRO A 77 1.043 -14.948 10.212 1.00 0.00 C ATOM 1215 CD PRO A 77 -0.451 -15.132 10.323 1.00 0.00 C ATOM 0 HA PRO A 77 0.625 -16.282 13.241 1.00 0.00 H new ATOM 0 HB2 PRO A 77 2.593 -15.203 11.669 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.832 -16.698 11.164 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.306 -13.890 10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.418 -15.366 9.278 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.987 -14.225 10.043 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.806 -15.927 9.667 1.00 0.00 H new ATOM 1223 N LYS A 78 -0.213 -13.697 13.905 1.00 0.00 N ATOM 1224 CA LYS A 78 -0.118 -12.468 14.682 1.00 0.00 C ATOM 1225 C LYS A 78 0.903 -12.614 15.806 1.00 0.00 C ATOM 1226 O LYS A 78 1.672 -11.694 16.086 1.00 0.00 O ATOM 1227 CB LYS A 78 -1.487 -12.102 15.261 1.00 0.00 C ATOM 1228 CG LYS A 78 -1.484 -10.823 16.083 1.00 0.00 C ATOM 1229 CD LYS A 78 -2.896 -10.381 16.431 1.00 0.00 C ATOM 1230 CE LYS A 78 -3.544 -11.326 17.432 1.00 0.00 C ATOM 1231 NZ LYS A 78 -4.891 -10.850 17.852 1.00 0.00 N ATOM 0 H LYS A 78 -1.141 -14.121 13.898 1.00 0.00 H new ATOM 0 HA LYS A 78 0.213 -11.669 14.018 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.200 -11.996 14.444 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.838 -12.923 15.886 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.914 -10.979 16.999 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.981 -10.032 15.526 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.872 -9.373 16.844 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.500 -10.340 15.524 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.631 -12.319 16.991 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.903 -11.422 18.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.299 -11.521 18.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.805 -9.914 18.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.511 -10.783 17.019 1.00 0.00 H new ATOM 1245 N ARG A 79 0.908 -13.781 16.443 1.00 0.00 N ATOM 1246 CA ARG A 79 1.838 -14.054 17.533 1.00 0.00 C ATOM 1247 C ARG A 79 3.282 -13.954 17.052 1.00 0.00 C ATOM 1248 O ARG A 79 4.150 -13.433 17.754 1.00 0.00 O ATOM 1249 CB ARG A 79 1.573 -15.443 18.121 1.00 0.00 C ATOM 1250 CG ARG A 79 2.497 -15.805 19.272 1.00 0.00 C ATOM 1251 CD ARG A 79 2.189 -17.191 19.816 1.00 0.00 C ATOM 1252 NE ARG A 79 3.069 -17.552 20.927 1.00 0.00 N ATOM 1253 CZ ARG A 79 2.891 -17.139 22.182 1.00 0.00 C ATOM 1254 NH1 ARG A 79 1.868 -16.352 22.492 1.00 0.00 N ATOM 1255 NH2 ARG A 79 3.739 -17.516 23.129 1.00 0.00 N ATOM 0 H ARG A 79 0.278 -14.553 16.223 1.00 0.00 H new ATOM 0 HA ARG A 79 1.682 -13.305 18.310 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.540 -15.491 18.467 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.680 -16.188 17.333 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.533 -15.767 18.935 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.394 -15.069 20.069 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.152 -17.228 20.149 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.294 -17.925 19.017 1.00 0.00 H new ATOM 0 HE ARG A 79 3.867 -18.156 20.730 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.212 -16.059 21.768 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.738 -16.040 23.454 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.526 -18.121 22.897 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.604 -17.201 24.090 1.00 0.00 H new ATOM 1269 N GLY A 80 3.531 -14.459 15.846 1.00 0.00 N ATOM 1270 CA GLY A 80 4.870 -14.422 15.287 1.00 0.00 C ATOM 1271 C GLY A 80 5.352 -13.009 15.021 1.00 0.00 C ATOM 1272 O GLY A 80 4.902 -12.062 15.665 1.00 0.00 O ATOM 0 H GLY A 80 2.829 -14.893 15.247 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.560 -14.914 15.973 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.887 -14.989 14.356 1.00 0.00 H new ATOM 1276 N GLU A 81 6.272 -12.870 14.073 1.00 0.00 N ATOM 1277 CA GLU A 81 6.822 -11.564 13.726 1.00 0.00 C ATOM 1278 C GLU A 81 6.214 -11.040 12.428 1.00 0.00 C ATOM 1279 O GLU A 81 6.009 -11.793 11.476 1.00 0.00 O ATOM 1280 CB GLU A 81 8.343 -11.649 13.589 1.00 0.00 C ATOM 1281 CG GLU A 81 9.061 -11.864 14.911 1.00 0.00 C ATOM 1282 CD GLU A 81 10.567 -11.945 14.748 1.00 0.00 C ATOM 1283 OE1 GLU A 81 11.247 -10.930 15.007 1.00 0.00 O ATOM 1284 OE2 GLU A 81 11.065 -13.024 14.364 1.00 0.00 O ATOM 0 H GLU A 81 6.653 -13.645 13.531 1.00 0.00 H new ATOM 0 HA GLU A 81 6.572 -10.870 14.528 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.594 -12.466 12.912 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.710 -10.731 13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.816 -11.048 15.591 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.699 -12.783 15.372 1.00 0.00 H new ATOM 1292 N GLY A 82 5.931 -9.741 12.399 1.00 0.00 N ATOM 1293 CA GLY A 82 5.353 -9.130 11.216 1.00 0.00 C ATOM 1294 C GLY A 82 5.449 -7.619 11.250 1.00 0.00 C ATOM 1295 O GLY A 82 5.706 -7.033 12.302 1.00 0.00 O ATOM 0 H GLY A 82 6.092 -9.100 13.176 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.863 -9.505 10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.307 -9.424 11.131 1.00 0.00 H new ATOM 1299 N ILE A 83 5.249 -6.984 10.101 1.00 0.00 N ATOM 1300 CA ILE A 83 5.322 -5.530 10.019 1.00 0.00 C ATOM 1301 C ILE A 83 3.935 -4.896 10.053 1.00 0.00 C ATOM 1302 O ILE A 83 3.153 -5.029 9.113 1.00 0.00 O ATOM 1303 CB ILE A 83 6.056 -5.077 8.741 1.00 0.00 C ATOM 1304 CG1 ILE A 83 5.328 -5.583 7.494 1.00 0.00 C ATOM 1305 CG2 ILE A 83 7.495 -5.566 8.757 1.00 0.00 C ATOM 1306 CD1 ILE A 83 5.847 -4.982 6.205 1.00 0.00 C ATOM 0 H ILE A 83 5.036 -7.449 9.219 1.00 0.00 H new ATOM 0 HA ILE A 83 5.884 -5.196 10.891 1.00 0.00 H new ATOM 0 HB ILE A 83 6.062 -3.987 8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.422 -6.668 7.443 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.265 -5.359 7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 83 8.001 -5.239 7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.009 -5.156 9.626 1.00 0.00 H new ATOM 0 HG23 ILE A 83 7.509 -6.655 8.808 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.285 -5.386 5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.728 -3.899 6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.902 -5.228 6.088 1.00 0.00 H new ATOM 1318 N ASN A 84 3.644 -4.192 11.142 1.00 0.00 N ATOM 1319 CA ASN A 84 2.362 -3.517 11.302 1.00 0.00 C ATOM 1320 C ASN A 84 2.565 -2.149 11.942 1.00 0.00 C ATOM 1321 O ASN A 84 2.857 -2.050 13.133 1.00 0.00 O ATOM 1322 CB ASN A 84 1.417 -4.363 12.158 1.00 0.00 C ATOM 1323 CG ASN A 84 1.139 -5.720 11.541 1.00 0.00 C ATOM 1324 OD1 ASN A 84 0.793 -5.821 10.364 1.00 0.00 O ATOM 1325 ND2 ASN A 84 1.291 -6.773 12.336 1.00 0.00 N ATOM 0 H ASN A 84 4.282 -4.074 11.929 1.00 0.00 H new ATOM 0 HA ASN A 84 1.915 -3.383 10.317 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.852 -4.499 13.148 1.00 0.00 H new ATOM 0 HB3 ASN A 84 0.477 -3.829 12.293 1.00 0.00 H new ATOM 0 HD21 ASN A 84 1.119 -7.712 11.977 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.580 -6.643 13.306 1.00 0.00 H new ATOM 1332 N VAL A 85 2.418 -1.096 11.145 1.00 0.00 N ATOM 1333 CA VAL A 85 2.600 0.262 11.639 1.00 0.00 C ATOM 1334 C VAL A 85 1.873 1.274 10.759 1.00 0.00 C ATOM 1335 O VAL A 85 1.062 0.904 9.910 1.00 0.00 O ATOM 1336 CB VAL A 85 4.093 0.632 11.713 1.00 0.00 C ATOM 1337 CG1 VAL A 85 4.750 -0.052 12.898 1.00 0.00 C ATOM 1338 CG2 VAL A 85 4.802 0.266 10.416 1.00 0.00 C ATOM 0 H VAL A 85 2.174 -1.157 10.157 1.00 0.00 H new ATOM 0 HA VAL A 85 2.175 0.295 12.642 1.00 0.00 H new ATOM 0 HB VAL A 85 4.175 1.710 11.851 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.805 0.220 12.936 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.260 0.265 13.819 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.657 -1.133 12.791 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.856 0.535 10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.713 -0.806 10.243 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.346 0.807 9.587 1.00 0.00 H new ATOM 1348 N ARG A 86 2.168 2.554 10.967 1.00 0.00 N ATOM 1349 CA ARG A 86 1.545 3.615 10.191 1.00 0.00 C ATOM 1350 C ARG A 86 2.078 3.611 8.763 1.00 0.00 C ATOM 1351 O ARG A 86 2.997 4.354 8.425 1.00 0.00 O ATOM 1352 CB ARG A 86 1.808 4.973 10.849 1.00 0.00 C ATOM 1353 CG ARG A 86 1.154 6.142 10.131 1.00 0.00 C ATOM 1354 CD ARG A 86 1.455 7.458 10.833 1.00 0.00 C ATOM 1355 NE ARG A 86 0.825 8.595 10.164 1.00 0.00 N ATOM 1356 CZ ARG A 86 1.403 9.303 9.195 1.00 0.00 C ATOM 1357 NH1 ARG A 86 2.621 8.991 8.769 1.00 0.00 N ATOM 1358 NH2 ARG A 86 0.759 10.327 8.649 1.00 0.00 N ATOM 0 H ARG A 86 2.835 2.879 11.667 1.00 0.00 H new ATOM 0 HA ARG A 86 0.470 3.440 10.161 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.448 4.943 11.877 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.884 5.142 10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.511 6.186 9.102 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.076 5.988 10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.106 7.406 11.864 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.534 7.611 10.868 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.115 8.863 10.457 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.121 8.205 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.057 9.538 8.027 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.177 10.571 8.971 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.200 10.870 7.907 1.00 0.00 H new ATOM 1372 N ALA A 87 1.483 2.763 7.930 1.00 0.00 N ATOM 1373 CA ALA A 87 1.879 2.645 6.534 1.00 0.00 C ATOM 1374 C ALA A 87 0.706 2.971 5.620 1.00 0.00 C ATOM 1375 O ALA A 87 -0.432 2.592 5.899 1.00 0.00 O ATOM 1376 CB ALA A 87 2.399 1.243 6.249 1.00 0.00 C ATOM 0 H ALA A 87 0.719 2.144 8.202 1.00 0.00 H new ATOM 0 HA ALA A 87 2.679 3.359 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.691 1.169 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.263 1.040 6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.616 0.515 6.459 1.00 0.00 H new ATOM 1382 N ARG A 88 0.981 3.680 4.532 1.00 0.00 N ATOM 1383 CA ARG A 88 -0.065 4.057 3.590 1.00 0.00 C ATOM 1384 C ARG A 88 0.252 3.552 2.188 1.00 0.00 C ATOM 1385 O ARG A 88 1.415 3.482 1.788 1.00 0.00 O ATOM 1386 CB ARG A 88 -0.243 5.575 3.572 1.00 0.00 C ATOM 1387 CG ARG A 88 0.987 6.327 3.094 1.00 0.00 C ATOM 1388 CD ARG A 88 0.846 7.823 3.322 1.00 0.00 C ATOM 1389 NE ARG A 88 2.022 8.561 2.864 1.00 0.00 N ATOM 1390 CZ ARG A 88 2.184 9.874 3.018 1.00 0.00 C ATOM 1391 NH1 ARG A 88 1.249 10.600 3.620 1.00 0.00 N ATOM 1392 NH2 ARG A 88 3.285 10.462 2.571 1.00 0.00 N ATOM 0 H ARG A 88 1.915 4.004 4.281 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.995 3.594 3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.085 5.826 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.498 5.914 4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.868 5.959 3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.145 6.132 2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.037 8.188 2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.689 8.015 4.383 1.00 0.00 H new ATOM 0 HE ARG A 88 2.764 8.038 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.401 10.152 3.968 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.379 11.605 3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.007 9.909 2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.410 11.467 2.689 1.00 0.00 H new ATOM 1406 N ILE A 89 -0.792 3.196 1.449 1.00 0.00 N ATOM 1407 CA ILE A 89 -0.634 2.689 0.093 1.00 0.00 C ATOM 1408 C ILE A 89 -1.142 3.711 -0.921 1.00 0.00 C ATOM 1409 O ILE A 89 -2.256 4.223 -0.797 1.00 0.00 O ATOM 1410 CB ILE A 89 -1.396 1.355 -0.093 1.00 0.00 C ATOM 1411 CG1 ILE A 89 -0.867 0.302 0.883 1.00 0.00 C ATOM 1412 CG2 ILE A 89 -1.264 0.846 -1.525 1.00 0.00 C ATOM 1413 CD1 ILE A 89 -1.714 -0.950 0.931 1.00 0.00 C ATOM 0 H ILE A 89 -1.759 3.250 1.768 1.00 0.00 H new ATOM 0 HA ILE A 89 0.428 2.512 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.451 1.537 0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.151 0.033 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.816 0.736 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.808 -0.093 -1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.677 1.584 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.212 0.683 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.282 -1.654 1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.726 -0.693 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.745 -1.407 -0.058 1.00 0.00 H new ATOM 1425 N THR A 90 -0.321 4.004 -1.924 1.00 0.00 N ATOM 1426 CA THR A 90 -0.695 4.962 -2.956 1.00 0.00 C ATOM 1427 C THR A 90 -0.697 4.295 -4.330 1.00 0.00 C ATOM 1428 O THR A 90 0.267 3.635 -4.715 1.00 0.00 O ATOM 1429 CB THR A 90 0.272 6.150 -2.948 1.00 0.00 C ATOM 1430 OG1 THR A 90 0.247 6.808 -1.694 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.034 7.186 -4.010 1.00 0.00 C ATOM 0 H THR A 90 0.605 3.593 -2.043 1.00 0.00 H new ATOM 0 HA THR A 90 -1.701 5.324 -2.745 1.00 0.00 H new ATOM 0 HB THR A 90 1.252 5.720 -3.154 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.872 7.563 -1.708 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.690 7.998 -3.946 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.025 6.725 -4.996 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.038 7.582 -3.854 1.00 0.00 H new ATOM 1439 N CYS A 91 -1.790 4.477 -5.063 1.00 0.00 N ATOM 1440 CA CYS A 91 -1.928 3.900 -6.395 1.00 0.00 C ATOM 1441 C CYS A 91 -2.691 4.843 -7.315 1.00 0.00 C ATOM 1442 O CYS A 91 -3.407 5.731 -6.854 1.00 0.00 O ATOM 1443 CB CYS A 91 -2.646 2.550 -6.319 1.00 0.00 C ATOM 1444 SG CYS A 91 -4.312 2.641 -5.622 1.00 0.00 S ATOM 0 H CYS A 91 -2.596 5.022 -4.756 1.00 0.00 H new ATOM 0 HA CYS A 91 -0.929 3.748 -6.804 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -2.705 2.125 -7.321 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -2.048 1.866 -5.717 1.00 0.00 H new ATOM 0 HG CYS A 91 -4.839 1.453 -5.601 1.00 0.00 H new ATOM 1450 N PHE A 92 -2.538 4.647 -8.619 1.00 0.00 N ATOM 1451 CA PHE A 92 -3.220 5.481 -9.600 1.00 0.00 C ATOM 1452 C PHE A 92 -4.500 4.807 -10.086 1.00 0.00 C ATOM 1453 O PHE A 92 -4.609 3.582 -10.087 1.00 0.00 O ATOM 1454 CB PHE A 92 -2.290 5.795 -10.782 1.00 0.00 C ATOM 1455 CG PHE A 92 -1.900 4.604 -11.630 1.00 0.00 C ATOM 1456 CD1 PHE A 92 -2.166 3.302 -11.226 1.00 0.00 C ATOM 1457 CD2 PHE A 92 -1.254 4.801 -12.841 1.00 0.00 C ATOM 1458 CE1 PHE A 92 -1.795 2.226 -12.012 1.00 0.00 C ATOM 1459 CE2 PHE A 92 -0.883 3.729 -13.631 1.00 0.00 C ATOM 1460 CZ PHE A 92 -1.154 2.440 -13.216 1.00 0.00 C ATOM 0 H PHE A 92 -1.948 3.918 -9.021 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.492 6.420 -9.119 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.777 6.532 -11.421 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.382 6.259 -10.396 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.669 3.128 -10.286 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.038 5.806 -13.172 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.007 1.219 -11.684 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.382 3.899 -14.572 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.865 1.601 -13.832 1.00 0.00 H new ATOM 1470 N ASN A 93 -5.474 5.613 -10.488 1.00 0.00 N ATOM 1471 CA ASN A 93 -6.739 5.089 -10.966 1.00 0.00 C ATOM 1472 C ASN A 93 -6.775 5.062 -12.482 1.00 0.00 C ATOM 1473 O ASN A 93 -6.790 6.102 -13.142 1.00 0.00 O ATOM 1474 CB ASN A 93 -7.906 5.916 -10.424 1.00 0.00 C ATOM 1475 CG ASN A 93 -8.111 5.722 -8.935 1.00 0.00 C ATOM 1476 OD1 ASN A 93 -7.660 4.732 -8.359 1.00 0.00 O ATOM 1477 ND2 ASN A 93 -8.794 6.669 -8.303 1.00 0.00 N ATOM 0 H ASN A 93 -5.409 6.631 -10.491 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.838 4.067 -10.601 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.725 6.971 -10.628 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.819 5.641 -10.952 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.963 6.593 -7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.150 7.473 -8.820 1.00 0.00 H new ATOM 1484 N CYS A 94 -6.801 3.858 -13.019 1.00 0.00 N ATOM 1485 CA CYS A 94 -6.852 3.658 -14.456 1.00 0.00 C ATOM 1486 C CYS A 94 -8.250 3.230 -14.877 1.00 0.00 C ATOM 1487 O CYS A 94 -8.695 2.141 -14.540 1.00 0.00 O ATOM 1488 CB CYS A 94 -5.828 2.605 -14.885 1.00 0.00 C ATOM 1489 SG CYS A 94 -4.109 3.147 -14.744 1.00 0.00 S ATOM 0 H CYS A 94 -6.788 2.995 -12.476 1.00 0.00 H new ATOM 0 HA CYS A 94 -6.609 4.601 -14.946 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.967 1.710 -14.278 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -6.025 2.322 -15.919 1.00 0.00 H new ATOM 0 HG CYS A 94 -3.513 2.463 -13.812 1.00 0.00 H new ATOM 1495 N TYR A 95 -8.917 4.119 -15.602 1.00 0.00 N ATOM 1496 CA TYR A 95 -10.284 3.917 -16.109 1.00 0.00 C ATOM 1497 C TYR A 95 -10.358 2.843 -17.202 1.00 0.00 C ATOM 1498 O TYR A 95 -10.101 3.133 -18.372 1.00 0.00 O ATOM 1499 CB TYR A 95 -10.865 5.230 -16.627 1.00 0.00 C ATOM 1500 CG TYR A 95 -12.238 5.528 -16.069 1.00 0.00 C ATOM 1501 CD1 TYR A 95 -12.464 5.502 -14.698 1.00 0.00 C ATOM 1502 CD2 TYR A 95 -13.306 5.827 -16.905 1.00 0.00 C ATOM 1503 CE1 TYR A 95 -13.715 5.763 -14.178 1.00 0.00 C ATOM 1504 CE2 TYR A 95 -14.561 6.093 -16.391 1.00 0.00 C ATOM 1505 CZ TYR A 95 -14.760 6.058 -15.026 1.00 0.00 C ATOM 1506 OH TYR A 95 -16.009 6.315 -14.510 1.00 0.00 O ATOM 0 H TYR A 95 -8.522 5.022 -15.864 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.879 3.563 -15.267 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.190 6.046 -16.371 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.921 5.192 -17.715 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -11.647 5.274 -14.029 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -13.153 5.852 -17.974 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -13.875 5.736 -13.110 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -15.381 6.327 -17.054 1.00 0.00 H new ATOM 0 HH TYR A 95 -16.654 6.401 -15.243 1.00 0.00 H new ATOM 1766 N GLN A 111 -18.649 6.659 -14.434 1.00 0.00 N ATOM 1767 CA GLN A 111 -19.755 5.712 -14.510 1.00 0.00 C ATOM 1768 C GLN A 111 -19.841 4.856 -13.251 1.00 0.00 C ATOM 1769 O GLN A 111 -20.932 4.559 -12.765 1.00 0.00 O ATOM 1770 CB GLN A 111 -19.602 4.818 -15.741 1.00 0.00 C ATOM 1771 CG GLN A 111 -19.818 5.549 -17.056 1.00 0.00 C ATOM 1772 CD GLN A 111 -19.657 4.641 -18.260 1.00 0.00 C ATOM 1773 OE1 GLN A 111 -20.089 3.488 -18.247 1.00 0.00 O ATOM 1774 NE2 GLN A 111 -19.030 5.159 -19.310 1.00 0.00 N ATOM 0 HA GLN A 111 -20.679 6.284 -14.594 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -18.604 4.379 -15.739 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -20.313 3.994 -15.672 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -20.817 5.985 -17.065 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -19.109 6.374 -17.130 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -18.688 6.119 -19.277 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -18.890 4.596 -20.149 1.00 0.00 H new ATOM 1783 N LEU A 112 -18.687 4.442 -12.738 1.00 0.00 N ATOM 1784 CA LEU A 112 -18.645 3.605 -11.543 1.00 0.00 C ATOM 1785 C LEU A 112 -17.646 4.136 -10.515 1.00 0.00 C ATOM 1786 O LEU A 112 -17.242 3.415 -9.603 1.00 0.00 O ATOM 1787 CB LEU A 112 -18.303 2.161 -11.932 1.00 0.00 C ATOM 1788 CG LEU A 112 -16.826 1.878 -12.224 1.00 0.00 C ATOM 1789 CD1 LEU A 112 -16.532 0.388 -12.111 1.00 0.00 C ATOM 1790 CD2 LEU A 112 -16.449 2.391 -13.605 1.00 0.00 C ATOM 0 H LEU A 112 -17.773 4.671 -13.128 1.00 0.00 H new ATOM 0 HA LEU A 112 -19.631 3.629 -11.078 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -18.627 1.502 -11.126 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -18.885 1.895 -12.814 1.00 0.00 H new ATOM 0 HG LEU A 112 -16.223 2.403 -11.483 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -15.478 0.208 -12.322 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.763 0.047 -11.102 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -17.144 -0.159 -12.828 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -15.396 2.182 -13.796 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -17.060 1.893 -14.358 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -16.620 3.467 -13.653 1.00 0.00 H new ATOM 1802 N VAL A 113 -17.247 5.395 -10.665 1.00 0.00 N ATOM 1803 CA VAL A 113 -16.295 6.001 -9.743 1.00 0.00 C ATOM 1804 C VAL A 113 -16.922 6.181 -8.361 1.00 0.00 C ATOM 1805 O VAL A 113 -16.285 5.921 -7.340 1.00 0.00 O ATOM 1806 CB VAL A 113 -15.801 7.368 -10.271 1.00 0.00 C ATOM 1807 CG1 VAL A 113 -14.806 8.008 -9.312 1.00 0.00 C ATOM 1808 CG2 VAL A 113 -15.187 7.211 -11.654 1.00 0.00 C ATOM 0 H VAL A 113 -17.566 6.012 -11.412 1.00 0.00 H new ATOM 0 HA VAL A 113 -15.441 5.329 -9.663 1.00 0.00 H new ATOM 0 HB VAL A 113 -16.663 8.031 -10.344 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -14.479 8.967 -9.714 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -15.282 8.163 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.944 7.352 -9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -14.844 8.182 -12.012 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -14.342 6.524 -11.601 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -15.934 6.814 -12.341 1.00 0.00 H new ATOM 1818 N LYS A 114 -18.174 6.627 -8.339 1.00 0.00 N ATOM 1819 CA LYS A 114 -18.888 6.845 -7.085 1.00 0.00 C ATOM 1820 C LYS A 114 -19.011 5.554 -6.279 1.00 0.00 C ATOM 1821 O LYS A 114 -18.810 5.550 -5.065 1.00 0.00 O ATOM 1822 CB LYS A 114 -20.279 7.420 -7.363 1.00 0.00 C ATOM 1823 CG LYS A 114 -21.068 7.738 -6.103 1.00 0.00 C ATOM 1824 CD LYS A 114 -22.438 8.308 -6.435 1.00 0.00 C ATOM 1825 CE LYS A 114 -22.347 9.766 -6.855 1.00 0.00 C ATOM 1826 NZ LYS A 114 -21.571 9.935 -8.114 1.00 0.00 N ATOM 0 H LYS A 114 -18.716 6.845 -9.175 1.00 0.00 H new ATOM 0 HA LYS A 114 -18.312 7.558 -6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -20.176 8.329 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -20.844 6.708 -7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -21.184 6.833 -5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -20.513 8.452 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -22.892 7.725 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -23.091 8.218 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -23.351 10.168 -6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -21.878 10.344 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -21.948 10.744 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -20.571 10.107 -7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -21.651 9.073 -8.690 1.00 0.00 H new ATOM 1840 N ARG A 115 -19.348 4.462 -6.959 1.00 0.00 N ATOM 1841 CA ARG A 115 -19.500 3.168 -6.298 1.00 0.00 C ATOM 1842 C ARG A 115 -18.196 2.712 -5.654 1.00 0.00 C ATOM 1843 O ARG A 115 -18.197 2.148 -4.561 1.00 0.00 O ATOM 1844 CB ARG A 115 -19.999 2.111 -7.286 1.00 0.00 C ATOM 1845 CG ARG A 115 -21.439 2.322 -7.724 1.00 0.00 C ATOM 1846 CD ARG A 115 -21.899 1.243 -8.694 1.00 0.00 C ATOM 1847 NE ARG A 115 -21.091 1.205 -9.912 1.00 0.00 N ATOM 1848 CZ ARG A 115 -21.340 0.396 -10.942 1.00 0.00 C ATOM 1849 NH1 ARG A 115 -22.366 -0.445 -10.904 1.00 0.00 N ATOM 1850 NH2 ARG A 115 -20.560 0.427 -12.013 1.00 0.00 N ATOM 0 H ARG A 115 -19.521 4.446 -7.964 1.00 0.00 H new ATOM 0 HA ARG A 115 -20.241 3.290 -5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -19.356 2.115 -8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -19.907 1.126 -6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -22.088 2.325 -6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -21.536 3.300 -8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -21.853 0.272 -8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -22.942 1.417 -8.959 1.00 0.00 H new ATOM 0 HE ARG A 115 -20.291 1.834 -9.977 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -22.970 -0.475 -10.083 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -22.550 -1.061 -11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -19.769 1.070 -12.049 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -20.751 -0.192 -12.801 1.00 0.00 H new ATOM 1864 N HIS A 116 -17.085 2.939 -6.347 1.00 0.00 N ATOM 1865 CA HIS A 116 -15.777 2.538 -5.841 1.00 0.00 C ATOM 1866 C HIS A 116 -15.468 3.216 -4.510 1.00 0.00 C ATOM 1867 O HIS A 116 -15.013 2.574 -3.567 1.00 0.00 O ATOM 1868 CB HIS A 116 -14.692 2.874 -6.868 1.00 0.00 C ATOM 1869 CG HIS A 116 -13.307 2.495 -6.436 1.00 0.00 C ATOM 1870 ND1 HIS A 116 -12.880 1.188 -6.331 1.00 0.00 N ATOM 1871 CD2 HIS A 116 -12.248 3.262 -6.083 1.00 0.00 C ATOM 1872 CE1 HIS A 116 -11.621 1.170 -5.933 1.00 0.00 C ATOM 1873 NE2 HIS A 116 -11.215 2.413 -5.775 1.00 0.00 N ATOM 0 H HIS A 116 -17.064 3.397 -7.258 1.00 0.00 H new ATOM 0 HA HIS A 116 -15.794 1.461 -5.675 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -14.922 2.365 -7.804 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -14.718 3.944 -7.072 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -12.222 4.341 -6.050 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -11.025 0.285 -5.765 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -10.284 2.698 -5.473 1.00 0.00 H new ATOM 1882 N ILE A 117 -15.712 4.521 -4.438 1.00 0.00 N ATOM 1883 CA ILE A 117 -15.455 5.273 -3.215 1.00 0.00 C ATOM 1884 C ILE A 117 -16.448 4.888 -2.118 1.00 0.00 C ATOM 1885 O ILE A 117 -16.078 4.761 -0.950 1.00 0.00 O ATOM 1886 CB ILE A 117 -15.528 6.798 -3.475 1.00 0.00 C ATOM 1887 CG1 ILE A 117 -14.488 7.204 -4.521 1.00 0.00 C ATOM 1888 CG2 ILE A 117 -15.307 7.589 -2.189 1.00 0.00 C ATOM 1889 CD1 ILE A 117 -13.067 6.863 -4.126 1.00 0.00 C ATOM 0 H ILE A 117 -16.085 5.077 -5.207 1.00 0.00 H new ATOM 0 HA ILE A 117 -14.448 5.022 -2.882 1.00 0.00 H new ATOM 0 HB ILE A 117 -16.526 7.028 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -14.722 6.711 -5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -14.560 8.278 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -15.364 8.656 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -16.075 7.324 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -14.324 7.353 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -12.384 7.180 -4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -12.814 7.377 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -12.978 5.786 -3.980 1.00 0.00 H new ATOM 1901 N GLU A 118 -17.711 4.712 -2.498 1.00 0.00 N ATOM 1902 CA GLU A 118 -18.752 4.355 -1.540 1.00 0.00 C ATOM 1903 C GLU A 118 -18.470 3.007 -0.887 1.00 0.00 C ATOM 1904 O GLU A 118 -18.685 2.832 0.312 1.00 0.00 O ATOM 1905 CB GLU A 118 -20.115 4.316 -2.235 1.00 0.00 C ATOM 1906 CG GLU A 118 -20.630 5.685 -2.644 1.00 0.00 C ATOM 1907 CD GLU A 118 -21.979 5.617 -3.331 1.00 0.00 C ATOM 1908 OE1 GLU A 118 -22.017 5.300 -4.538 1.00 0.00 O ATOM 1909 OE2 GLU A 118 -23.000 5.877 -2.660 1.00 0.00 O ATOM 0 H GLU A 118 -18.037 4.811 -3.459 1.00 0.00 H new ATOM 0 HA GLU A 118 -18.761 5.116 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -20.044 3.685 -3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -20.840 3.849 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -20.707 6.319 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -19.909 6.156 -3.312 1.00 0.00 H new ATOM 1917 N ARG A 119 -17.987 2.055 -1.679 1.00 0.00 N ATOM 1918 CA ARG A 119 -17.677 0.726 -1.167 1.00 0.00 C ATOM 1919 C ARG A 119 -16.534 0.779 -0.158 1.00 0.00 C ATOM 1920 O ARG A 119 -16.557 0.084 0.859 1.00 0.00 O ATOM 1921 CB ARG A 119 -17.337 -0.227 -2.318 1.00 0.00 C ATOM 1922 CG ARG A 119 -16.008 0.067 -3.000 1.00 0.00 C ATOM 1923 CD ARG A 119 -15.737 -0.913 -4.131 1.00 0.00 C ATOM 1924 NE ARG A 119 -14.375 -0.796 -4.646 1.00 0.00 N ATOM 1925 CZ ARG A 119 -13.354 -1.546 -4.230 1.00 0.00 C ATOM 1926 NH1 ARG A 119 -13.537 -2.468 -3.292 1.00 0.00 N ATOM 1927 NH2 ARG A 119 -12.149 -1.376 -4.754 1.00 0.00 N ATOM 0 H ARG A 119 -17.802 2.179 -2.674 1.00 0.00 H new ATOM 0 HA ARG A 119 -18.561 0.348 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.319 -1.248 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -18.133 -0.179 -3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -16.015 1.084 -3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -15.202 0.013 -2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -15.904 -1.930 -3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -16.446 -0.737 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 119 -14.194 -0.098 -5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -14.462 -2.606 -2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -12.752 -3.039 -2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -12.002 -0.671 -5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -11.369 -1.950 -4.435 1.00 0.00 H new ATOM 1941 N LEU A 120 -15.531 1.601 -0.450 1.00 0.00 N ATOM 1942 CA LEU A 120 -14.376 1.739 0.427 1.00 0.00 C ATOM 1943 C LEU A 120 -14.794 2.237 1.804 1.00 0.00 C ATOM 1944 O LEU A 120 -14.281 1.779 2.826 1.00 0.00 O ATOM 1945 CB LEU A 120 -13.372 2.714 -0.184 1.00 0.00 C ATOM 1946 CG LEU A 120 -12.835 2.304 -1.552 1.00 0.00 C ATOM 1947 CD1 LEU A 120 -11.847 3.337 -2.073 1.00 0.00 C ATOM 1948 CD2 LEU A 120 -12.192 0.928 -1.484 1.00 0.00 C ATOM 0 H LEU A 120 -15.496 2.181 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 120 -13.914 0.758 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -13.844 3.692 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.532 2.827 0.502 1.00 0.00 H new ATOM 0 HG LEU A 120 -13.672 2.254 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -11.476 3.026 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.345 4.302 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -11.012 3.424 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.815 0.653 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -11.367 0.947 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -12.932 0.196 -1.162 1.00 0.00 H new ATOM 1960 N LYS A 121 -15.729 3.179 1.822 1.00 0.00 N ATOM 1961 CA LYS A 121 -16.217 3.745 3.074 1.00 0.00 C ATOM 1962 C LYS A 121 -16.847 2.664 3.949 1.00 0.00 C ATOM 1963 O LYS A 121 -16.643 2.637 5.163 1.00 0.00 O ATOM 1964 CB LYS A 121 -17.232 4.854 2.797 1.00 0.00 C ATOM 1965 CG LYS A 121 -17.610 5.654 4.032 1.00 0.00 C ATOM 1966 CD LYS A 121 -18.620 6.741 3.703 1.00 0.00 C ATOM 1967 CE LYS A 121 -17.951 7.952 3.074 1.00 0.00 C ATOM 1968 NZ LYS A 121 -17.312 8.827 4.095 1.00 0.00 N ATOM 0 H LYS A 121 -16.164 3.567 0.985 1.00 0.00 H new ATOM 0 HA LYS A 121 -15.367 4.170 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -16.823 5.531 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -18.133 4.413 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -18.025 4.986 4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -16.716 6.105 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -19.373 6.345 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -19.140 7.043 4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -17.199 7.620 2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -18.691 8.526 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -16.867 9.641 3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -18.034 9.165 4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -16.588 8.287 4.611 1.00 0.00 H new ATOM 1982 N LYS A 122 -17.610 1.772 3.321 1.00 0.00 N ATOM 1983 CA LYS A 122 -18.267 0.688 4.038 1.00 0.00 C ATOM 1984 C LYS A 122 -17.232 -0.218 4.696 1.00 0.00 C ATOM 1985 O LYS A 122 -17.413 -0.664 5.825 1.00 0.00 O ATOM 1986 CB LYS A 122 -19.137 -0.128 3.076 1.00 0.00 C ATOM 1987 CG LYS A 122 -20.208 0.693 2.373 1.00 0.00 C ATOM 1988 CD LYS A 122 -21.059 1.473 3.360 1.00 0.00 C ATOM 1989 CE LYS A 122 -22.229 2.158 2.671 1.00 0.00 C ATOM 1990 NZ LYS A 122 -23.121 2.847 3.644 1.00 0.00 N ATOM 0 H LYS A 122 -17.787 1.781 2.317 1.00 0.00 H new ATOM 0 HA LYS A 122 -18.900 1.119 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -18.497 -0.592 2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -19.616 -0.936 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -19.736 1.384 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -20.846 0.032 1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -21.434 0.799 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.443 2.220 3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -21.852 2.882 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -22.804 1.420 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -23.906 3.301 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -23.502 2.152 4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -22.579 3.569 4.160 1.00 0.00 H new ATOM 2004 N ASN A 123 -16.147 -0.466 3.968 1.00 0.00 N ATOM 2005 CA ASN A 123 -15.044 -1.309 4.436 1.00 0.00 C ATOM 2006 C ASN A 123 -14.307 -0.661 5.609 1.00 0.00 C ATOM 2007 O ASN A 123 -13.462 0.211 5.407 1.00 0.00 O ATOM 2008 CB ASN A 123 -14.063 -1.577 3.291 1.00 0.00 C ATOM 2009 CG ASN A 123 -14.658 -2.467 2.218 1.00 0.00 C ATOM 2010 OD1 ASN A 123 -15.849 -2.380 1.913 1.00 0.00 O ATOM 2011 ND2 ASN A 123 -13.832 -3.329 1.638 1.00 0.00 N ATOM 0 H ASN A 123 -16.005 -0.087 3.032 1.00 0.00 H new ATOM 0 HA ASN A 123 -15.467 -2.253 4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -13.760 -0.629 2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -13.163 -2.045 3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -14.176 -3.953 0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -12.853 -3.367 1.922 1.00 0.00 H new ATOM 2018 N PRO A 124 -14.617 -1.058 6.860 1.00 0.00 N ATOM 2019 CA PRO A 124 -13.975 -0.488 8.039 1.00 0.00 C ATOM 2020 C PRO A 124 -12.680 -1.204 8.406 1.00 0.00 C ATOM 2021 O PRO A 124 -12.306 -1.273 9.577 1.00 0.00 O ATOM 2022 CB PRO A 124 -15.029 -0.698 9.118 1.00 0.00 C ATOM 2023 CG PRO A 124 -15.701 -1.977 8.739 1.00 0.00 C ATOM 2024 CD PRO A 124 -15.609 -2.089 7.234 1.00 0.00 C ATOM 0 HA PRO A 124 -13.681 0.551 7.892 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -14.577 -0.765 10.107 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -15.738 0.130 9.147 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -15.216 -2.826 9.220 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -16.741 -1.978 9.064 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -15.286 -3.084 6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -16.573 -1.906 6.760 1.00 0.00 H new ATOM 2032 N ASN A 125 -11.993 -1.722 7.392 1.00 0.00 N ATOM 2033 CA ASN A 125 -10.727 -2.415 7.599 1.00 0.00 C ATOM 2034 C ASN A 125 -9.556 -1.490 7.273 1.00 0.00 C ATOM 2035 O ASN A 125 -8.450 -1.660 7.786 1.00 0.00 O ATOM 2036 CB ASN A 125 -10.659 -3.672 6.729 1.00 0.00 C ATOM 2037 CG ASN A 125 -9.475 -4.553 7.075 1.00 0.00 C ATOM 2038 OD1 ASN A 125 -8.523 -4.666 6.303 1.00 0.00 O ATOM 2039 ND2 ASN A 125 -9.529 -5.184 8.243 1.00 0.00 N ATOM 0 H ASN A 125 -12.293 -1.674 6.418 1.00 0.00 H new ATOM 0 HA ASN A 125 -10.662 -2.709 8.647 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -11.580 -4.243 6.848 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -10.598 -3.381 5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -8.761 -5.791 8.531 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -10.338 -5.061 8.852 1.00 0.00 H new ATOM 2046 N SER A 126 -9.819 -0.506 6.417 1.00 0.00 N ATOM 2047 CA SER A 126 -8.807 0.463 6.015 1.00 0.00 C ATOM 2048 C SER A 126 -9.345 1.883 6.164 1.00 0.00 C ATOM 2049 O SER A 126 -10.543 2.119 6.009 1.00 0.00 O ATOM 2050 CB SER A 126 -8.377 0.215 4.567 1.00 0.00 C ATOM 2051 OG SER A 126 -7.830 -1.083 4.412 1.00 0.00 O ATOM 0 H SER A 126 -10.732 -0.360 5.986 1.00 0.00 H new ATOM 0 HA SER A 126 -7.939 0.345 6.664 1.00 0.00 H new ATOM 0 HB2 SER A 126 -9.235 0.333 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.640 0.961 4.270 1.00 0.00 H new ATOM 0 HG SER A 126 -7.565 -1.217 3.478 1.00 0.00 H new ATOM 2057 N LYS A 127 -8.459 2.824 6.469 1.00 0.00 N ATOM 2058 CA LYS A 127 -8.862 4.214 6.641 1.00 0.00 C ATOM 2059 C LYS A 127 -8.627 5.018 5.366 1.00 0.00 C ATOM 2060 O LYS A 127 -7.557 4.951 4.761 1.00 0.00 O ATOM 2061 CB LYS A 127 -8.105 4.849 7.809 1.00 0.00 C ATOM 2062 CG LYS A 127 -8.348 4.155 9.137 1.00 0.00 C ATOM 2063 CD LYS A 127 -9.764 4.389 9.636 1.00 0.00 C ATOM 2064 CE LYS A 127 -10.010 3.695 10.965 1.00 0.00 C ATOM 2065 NZ LYS A 127 -10.656 2.365 10.786 1.00 0.00 N ATOM 0 H LYS A 127 -7.463 2.651 6.602 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.930 4.227 6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -7.037 4.834 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -8.398 5.895 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.172 3.085 9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.635 4.521 9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -9.940 5.459 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.476 4.023 8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -9.063 3.571 11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.642 4.324 11.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -10.807 1.924 11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.571 2.485 10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.042 1.755 10.210 1.00 0.00 H new ATOM 2079 N PHE A 128 -9.642 5.778 4.966 1.00 0.00 N ATOM 2080 CA PHE A 128 -9.564 6.601 3.767 1.00 0.00 C ATOM 2081 C PHE A 128 -8.602 7.765 3.976 1.00 0.00 C ATOM 2082 O PHE A 128 -8.817 8.611 4.846 1.00 0.00 O ATOM 2083 CB PHE A 128 -10.957 7.136 3.422 1.00 0.00 C ATOM 2084 CG PHE A 128 -11.007 7.946 2.158 1.00 0.00 C ATOM 2085 CD1 PHE A 128 -10.543 9.252 2.136 1.00 0.00 C ATOM 2086 CD2 PHE A 128 -11.519 7.402 0.992 1.00 0.00 C ATOM 2087 CE1 PHE A 128 -10.588 9.998 0.974 1.00 0.00 C ATOM 2088 CE2 PHE A 128 -11.566 8.145 -0.173 1.00 0.00 C ATOM 2089 CZ PHE A 128 -11.100 9.444 -0.182 1.00 0.00 C ATOM 0 H PHE A 128 -10.533 5.840 5.459 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.193 5.989 2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -11.645 6.295 3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -11.314 7.750 4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -10.142 9.691 3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -11.886 6.386 0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -10.223 11.014 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -11.967 7.709 -1.076 1.00 0.00 H new ATOM 0 HZ PHE A 128 -11.136 10.026 -1.091 1.00 0.00 H new ATOM 2099 N GLU A 129 -7.543 7.810 3.176 1.00 0.00 N ATOM 2100 CA GLU A 129 -6.557 8.879 3.278 1.00 0.00 C ATOM 2101 C GLU A 129 -6.924 10.052 2.373 1.00 0.00 C ATOM 2102 O GLU A 129 -7.460 11.060 2.835 1.00 0.00 O ATOM 2103 CB GLU A 129 -5.158 8.359 2.943 1.00 0.00 C ATOM 2104 CG GLU A 129 -4.038 9.258 3.449 1.00 0.00 C ATOM 2105 CD GLU A 129 -3.997 10.595 2.739 1.00 0.00 C ATOM 2106 OE1 GLU A 129 -4.136 11.633 3.421 1.00 0.00 O ATOM 2107 OE2 GLU A 129 -3.826 10.607 1.503 1.00 0.00 O ATOM 0 H GLU A 129 -7.345 7.120 2.451 1.00 0.00 H new ATOM 0 HA GLU A 129 -6.554 9.235 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.036 7.364 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -5.068 8.253 1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -4.165 9.423 4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -3.082 8.751 3.316 1.00 0.00 H new ATOM 2115 N SER A 130 -6.626 9.920 1.083 1.00 0.00 N ATOM 2116 CA SER A 130 -6.923 10.974 0.120 1.00 0.00 C ATOM 2117 C SER A 130 -7.188 10.396 -1.267 1.00 0.00 C ATOM 2118 O SER A 130 -6.505 9.470 -1.704 1.00 0.00 O ATOM 2119 CB SER A 130 -5.767 11.972 0.055 1.00 0.00 C ATOM 2120 OG SER A 130 -5.567 12.605 1.307 1.00 0.00 O ATOM 0 H SER A 130 -6.180 9.095 0.682 1.00 0.00 H new ATOM 0 HA SER A 130 -7.824 11.488 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 130 -4.855 11.457 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 130 -5.974 12.724 -0.707 1.00 0.00 H new ATOM 0 HG SER A 130 -4.821 13.237 1.239 1.00 0.00 H new ATOM 2126 N TYR A 131 -8.175 10.955 -1.958 1.00 0.00 N ATOM 2127 CA TYR A 131 -8.519 10.501 -3.300 1.00 0.00 C ATOM 2128 C TYR A 131 -8.314 11.625 -4.311 1.00 0.00 C ATOM 2129 O TYR A 131 -8.832 12.728 -4.139 1.00 0.00 O ATOM 2130 CB TYR A 131 -9.972 10.018 -3.343 1.00 0.00 C ATOM 2131 CG TYR A 131 -10.408 9.519 -4.703 1.00 0.00 C ATOM 2132 CD1 TYR A 131 -10.970 10.382 -5.636 1.00 0.00 C ATOM 2133 CD2 TYR A 131 -10.257 8.184 -5.054 1.00 0.00 C ATOM 2134 CE1 TYR A 131 -11.368 9.928 -6.879 1.00 0.00 C ATOM 2135 CE2 TYR A 131 -10.653 7.722 -6.293 1.00 0.00 C ATOM 2136 CZ TYR A 131 -11.207 8.597 -7.203 1.00 0.00 C ATOM 2137 OH TYR A 131 -11.602 8.141 -8.439 1.00 0.00 O ATOM 0 H TYR A 131 -8.750 11.723 -1.611 1.00 0.00 H new ATOM 0 HA TYR A 131 -7.863 9.670 -3.561 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -10.101 9.218 -2.614 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -10.626 10.835 -3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -11.098 11.425 -5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -9.822 7.495 -4.345 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -11.803 10.612 -7.593 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -10.529 6.680 -6.548 1.00 0.00 H new ATOM 0 HH TYR A 131 -11.419 7.181 -8.507 1.00 0.00 H new ATOM 2147 N ASP A 132 -7.556 11.340 -5.365 1.00 0.00 N ATOM 2148 CA ASP A 132 -7.289 12.333 -6.398 1.00 0.00 C ATOM 2149 C ASP A 132 -7.986 11.957 -7.701 1.00 0.00 C ATOM 2150 O ASP A 132 -7.685 10.925 -8.300 1.00 0.00 O ATOM 2151 CB ASP A 132 -5.783 12.465 -6.632 1.00 0.00 C ATOM 2152 CG ASP A 132 -5.072 13.124 -5.467 1.00 0.00 C ATOM 2153 OD1 ASP A 132 -3.840 12.956 -5.351 1.00 0.00 O ATOM 2154 OD2 ASP A 132 -5.747 13.807 -4.668 1.00 0.00 O ATOM 0 H ASP A 132 -7.118 10.433 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.681 13.291 -6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -5.357 11.476 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -5.608 13.047 -7.537 1.00 0.00 H new ATOM 2160 N ALA A 133 -8.918 12.799 -8.134 1.00 0.00 N ATOM 2161 CA ALA A 133 -9.655 12.550 -9.366 1.00 0.00 C ATOM 2162 C ALA A 133 -8.873 13.026 -10.587 1.00 0.00 C ATOM 2163 O ALA A 133 -8.865 12.365 -11.626 1.00 0.00 O ATOM 2164 CB ALA A 133 -11.014 13.233 -9.312 1.00 0.00 C ATOM 0 H ALA A 133 -9.180 13.658 -7.651 1.00 0.00 H new ATOM 0 HA ALA A 133 -9.800 11.474 -9.460 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -11.555 13.040 -10.238 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -11.585 12.842 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -10.877 14.307 -9.189 1.00 0.00 H new ATOM 2170 N ASP A 134 -8.224 14.178 -10.457 1.00 0.00 N ATOM 2171 CA ASP A 134 -7.447 14.748 -11.553 1.00 0.00 C ATOM 2172 C ASP A 134 -6.300 13.830 -11.968 1.00 0.00 C ATOM 2173 O ASP A 134 -6.019 13.675 -13.156 1.00 0.00 O ATOM 2174 CB ASP A 134 -6.894 16.117 -11.153 1.00 0.00 C ATOM 2175 CG ASP A 134 -7.980 17.171 -11.044 1.00 0.00 C ATOM 2176 OD1 ASP A 134 -7.744 18.200 -10.376 1.00 0.00 O ATOM 2177 OD2 ASP A 134 -9.065 16.968 -11.627 1.00 0.00 O ATOM 0 H ASP A 134 -8.220 14.736 -9.603 1.00 0.00 H new ATOM 0 HA ASP A 134 -8.116 14.860 -12.406 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -6.377 16.032 -10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -6.155 16.436 -11.888 1.00 0.00 H new ATOM 2183 N SER A 135 -5.639 13.225 -10.986 1.00 0.00 N ATOM 2184 CA SER A 135 -4.520 12.329 -11.264 1.00 0.00 C ATOM 2185 C SER A 135 -4.916 10.866 -11.074 1.00 0.00 C ATOM 2186 O SER A 135 -4.231 9.963 -11.555 1.00 0.00 O ATOM 2187 CB SER A 135 -3.335 12.667 -10.358 1.00 0.00 C ATOM 2188 OG SER A 135 -3.681 12.529 -8.991 1.00 0.00 O ATOM 0 H SER A 135 -5.857 13.337 -9.996 1.00 0.00 H new ATOM 0 HA SER A 135 -4.232 12.470 -12.306 1.00 0.00 H new ATOM 0 HB2 SER A 135 -2.496 12.011 -10.592 1.00 0.00 H new ATOM 0 HB3 SER A 135 -3.005 13.688 -10.551 1.00 0.00 H new ATOM 0 HG SER A 135 -3.210 11.758 -8.611 1.00 0.00 H new ATOM 2194 N GLY A 136 -6.020 10.637 -10.372 1.00 0.00 N ATOM 2195 CA GLY A 136 -6.480 9.280 -10.134 1.00 0.00 C ATOM 2196 C GLY A 136 -5.727 8.594 -9.007 1.00 0.00 C ATOM 2197 O GLY A 136 -5.982 7.430 -8.702 1.00 0.00 O ATOM 0 H GLY A 136 -6.605 11.366 -9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.544 9.298 -9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -6.367 8.697 -11.048 1.00 0.00 H new ATOM 2201 N THR A 137 -4.795 9.314 -8.388 1.00 0.00 N ATOM 2202 CA THR A 137 -4.007 8.760 -7.293 1.00 0.00 C ATOM 2203 C THR A 137 -4.864 8.581 -6.042 1.00 0.00 C ATOM 2204 O THR A 137 -5.602 9.485 -5.649 1.00 0.00 O ATOM 2205 CB THR A 137 -2.811 9.661 -6.986 1.00 0.00 C ATOM 2206 OG1 THR A 137 -2.101 9.970 -8.172 1.00 0.00 O ATOM 2207 CG2 THR A 137 -1.830 9.037 -6.018 1.00 0.00 C ATOM 0 H THR A 137 -4.568 10.280 -8.626 1.00 0.00 H new ATOM 0 HA THR A 137 -3.640 7.781 -7.602 1.00 0.00 H new ATOM 0 HB THR A 137 -3.231 10.558 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 137 -1.340 10.549 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 137 -1.004 9.726 -5.842 1.00 0.00 H new ATOM 0 HG22 THR A 137 -2.334 8.826 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 137 -1.444 8.109 -6.439 1.00 0.00 H new ATOM 2215 N TYR A 138 -4.763 7.408 -5.426 1.00 0.00 N ATOM 2216 CA TYR A 138 -5.533 7.105 -4.225 1.00 0.00 C ATOM 2217 C TYR A 138 -4.608 6.790 -3.052 1.00 0.00 C ATOM 2218 O TYR A 138 -3.627 6.064 -3.201 1.00 0.00 O ATOM 2219 CB TYR A 138 -6.462 5.919 -4.487 1.00 0.00 C ATOM 2220 CG TYR A 138 -7.600 5.808 -3.501 1.00 0.00 C ATOM 2221 CD1 TYR A 138 -7.369 5.853 -2.133 1.00 0.00 C ATOM 2222 CD2 TYR A 138 -8.909 5.656 -3.940 1.00 0.00 C ATOM 2223 CE1 TYR A 138 -8.409 5.750 -1.230 1.00 0.00 C ATOM 2224 CE2 TYR A 138 -9.955 5.553 -3.044 1.00 0.00 C ATOM 2225 CZ TYR A 138 -9.700 5.601 -1.691 1.00 0.00 C ATOM 2226 OH TYR A 138 -10.736 5.495 -0.795 1.00 0.00 O ATOM 0 H TYR A 138 -4.155 6.651 -5.739 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.129 7.981 -3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.872 6.006 -5.493 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.878 4.999 -4.459 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -6.359 5.971 -1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.112 5.618 -5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -8.212 5.786 -0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -10.967 5.435 -3.402 1.00 0.00 H new ATOM 0 HH TYR A 138 -10.812 6.327 -0.283 1.00 0.00 H new ATOM 2236 N VAL A 139 -4.929 7.339 -1.883 1.00 0.00 N ATOM 2237 CA VAL A 139 -4.126 7.113 -0.688 1.00 0.00 C ATOM 2238 C VAL A 139 -4.953 6.450 0.414 1.00 0.00 C ATOM 2239 O VAL A 139 -6.049 6.907 0.743 1.00 0.00 O ATOM 2240 CB VAL A 139 -3.530 8.433 -0.158 1.00 0.00 C ATOM 2241 CG1 VAL A 139 -2.618 8.181 1.034 1.00 0.00 C ATOM 2242 CG2 VAL A 139 -2.782 9.161 -1.265 1.00 0.00 C ATOM 0 H VAL A 139 -5.739 7.942 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 139 -3.311 6.446 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 139 -4.351 9.066 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -2.211 9.128 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -3.188 7.709 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -1.801 7.525 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 139 -2.368 10.090 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -1.973 8.530 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -3.468 9.385 -2.082 1.00 0.00 H new ATOM 2252 N PHE A 140 -4.420 5.370 0.979 1.00 0.00 N ATOM 2253 CA PHE A 140 -5.101 4.639 2.045 1.00 0.00 C ATOM 2254 C PHE A 140 -4.251 4.625 3.313 1.00 0.00 C ATOM 2255 O PHE A 140 -3.030 4.491 3.249 1.00 0.00 O ATOM 2256 CB PHE A 140 -5.381 3.198 1.613 1.00 0.00 C ATOM 2257 CG PHE A 140 -6.303 3.075 0.434 1.00 0.00 C ATOM 2258 CD1 PHE A 140 -5.798 3.056 -0.856 1.00 0.00 C ATOM 2259 CD2 PHE A 140 -7.673 2.969 0.615 1.00 0.00 C ATOM 2260 CE1 PHE A 140 -6.639 2.931 -1.943 1.00 0.00 C ATOM 2261 CE2 PHE A 140 -8.521 2.847 -0.469 1.00 0.00 C ATOM 2262 CZ PHE A 140 -8.004 2.827 -1.750 1.00 0.00 C ATOM 0 H PHE A 140 -3.515 4.980 0.715 1.00 0.00 H new ATOM 0 HA PHE A 140 -6.045 5.145 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 140 -4.435 2.713 1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 140 -5.812 2.656 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 140 -4.733 3.140 -1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -8.082 2.982 1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 140 -6.231 2.914 -2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -9.587 2.767 -0.315 1.00 0.00 H new ATOM 0 HZ PHE A 140 -8.665 2.730 -2.599 1.00 0.00 H new ATOM 2272 N ILE A 141 -4.902 4.753 4.466 1.00 0.00 N ATOM 2273 CA ILE A 141 -4.195 4.746 5.742 1.00 0.00 C ATOM 2274 C ILE A 141 -4.685 3.596 6.620 1.00 0.00 C ATOM 2275 O ILE A 141 -5.862 3.518 6.963 1.00 0.00 O ATOM 2276 CB ILE A 141 -4.381 6.086 6.495 1.00 0.00 C ATOM 2277 CG1 ILE A 141 -3.846 7.241 5.650 1.00 0.00 C ATOM 2278 CG2 ILE A 141 -3.680 6.060 7.849 1.00 0.00 C ATOM 2279 CD1 ILE A 141 -2.377 7.114 5.315 1.00 0.00 C ATOM 0 H ILE A 141 -5.913 4.862 4.543 1.00 0.00 H new ATOM 0 HA ILE A 141 -3.135 4.611 5.528 1.00 0.00 H new ATOM 0 HB ILE A 141 -5.447 6.231 6.669 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -4.418 7.298 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.009 8.177 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.828 7.014 8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.096 5.258 8.459 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -2.613 5.889 7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -2.066 7.968 4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -1.795 7.087 6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -2.210 6.195 4.753 1.00 0.00 H new ATOM 2291 N VAL A 142 -3.768 2.702 6.984 1.00 0.00 N ATOM 2292 CA VAL A 142 -4.104 1.562 7.828 1.00 0.00 C ATOM 2293 C VAL A 142 -2.987 1.286 8.831 1.00 0.00 C ATOM 2294 O VAL A 142 -2.046 0.549 8.538 1.00 0.00 O ATOM 2295 CB VAL A 142 -4.348 0.295 6.984 1.00 0.00 C ATOM 2296 CG1 VAL A 142 -4.894 -0.831 7.849 1.00 0.00 C ATOM 2297 CG2 VAL A 142 -5.295 0.595 5.831 1.00 0.00 C ATOM 0 H VAL A 142 -2.787 2.747 6.707 1.00 0.00 H new ATOM 0 HA VAL A 142 -5.020 1.813 8.363 1.00 0.00 H new ATOM 0 HB VAL A 142 -3.394 -0.028 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -5.059 -1.715 7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -4.177 -1.065 8.636 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -5.837 -0.520 8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -5.455 -0.311 5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -6.249 0.946 6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -4.860 1.365 5.194 1.00 0.00 H new ATOM 2307 N ASN A 143 -3.099 1.878 10.018 1.00 0.00 N ATOM 2308 CA ASN A 143 -2.097 1.688 11.060 1.00 0.00 C ATOM 2309 C ASN A 143 -2.527 0.600 12.036 1.00 0.00 C ATOM 2310 O ASN A 143 -3.465 0.784 12.812 1.00 0.00 O ATOM 2311 CB ASN A 143 -1.861 2.999 11.815 1.00 0.00 C ATOM 2312 CG ASN A 143 -0.744 2.889 12.834 1.00 0.00 C ATOM 2313 OD1 ASN A 143 -0.376 1.792 13.256 1.00 0.00 O ATOM 2314 ND2 ASN A 143 -0.198 4.030 13.238 1.00 0.00 N ATOM 0 H ASN A 143 -3.871 2.491 10.280 1.00 0.00 H new ATOM 0 HA ASN A 143 -1.168 1.378 10.582 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -1.621 3.787 11.101 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -2.781 3.295 12.319 1.00 0.00 H new ATOM 0 HD21 ASN A 143 0.557 4.019 13.924 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -0.533 4.917 12.862 1.00 0.00 H new ATOM 2321 N HIS A 144 -1.838 -0.535 11.993 1.00 0.00 N ATOM 2322 CA HIS A 144 -2.151 -1.650 12.879 1.00 0.00 C ATOM 2323 C HIS A 144 -2.006 -1.244 14.343 1.00 0.00 C ATOM 2324 O HIS A 144 -2.815 -1.626 15.189 1.00 0.00 O ATOM 2325 CB HIS A 144 -1.242 -2.842 12.569 1.00 0.00 C ATOM 2326 CG HIS A 144 -1.498 -4.039 13.433 1.00 0.00 C ATOM 2327 ND1 HIS A 144 -0.751 -4.601 14.414 1.00 0.00 N flip ATOM 2328 CD2 HIS A 144 -2.638 -4.810 13.333 1.00 0.00 C flip ATOM 2329 CE1 HIS A 144 -1.448 -5.686 14.884 1.00 0.00 C flip ATOM 2330 NE2 HIS A 144 -2.583 -5.791 14.216 1.00 0.00 N flip ATOM 0 H HIS A 144 -1.061 -0.707 11.355 1.00 0.00 H new ATOM 0 HA HIS A 144 -3.188 -1.939 12.708 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -1.373 -3.125 11.525 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -0.203 -2.535 12.688 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -3.449 -4.638 12.641 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -1.121 -6.347 15.673 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -3.295 -6.507 14.358 1.00 0.00 H new