USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 799 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 62 SER OG : rot 180:sc= 0.254 USER MOD Set 1.2: A 68 SER OG : rot -167:sc= -0.975 USER MOD Set 2.1: A 55 CYS SG : rot 64:sc= -1.9! USER MOD Set 2.2: A 73 HIS : no HD1:sc= -1.66! C(o=-3.6!,f=-5.1!) USER MOD Set 3.1: A 35 HIS : no HD1:sc= -3.25! C(o=-3.3!,f=-3.3!) USER MOD Set 3.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 15 ASN : amide:sc= -0.964 K(o=-0.96,f=-5.1!) USER MOD Set 4.2: A 24 SER OG : rot -22:sc= 0.00765 USER MOD Set 5.1: A 21 GLN : amide:sc= 0.308 K(o=0.69,f=-1.8!) USER MOD Set 5.2: A 23 LYS NZ :NH3+ -137:sc= 0.381 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0253 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0989 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0797 USER MOD Single : A 11 SER OG : rot -105:sc= 1.16 USER MOD Single : A 12 SER OG : rot 5:sc= 1.02 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.788 USER MOD Single : A 19 ASN : amide:sc= -0.0677 K(o=-0.068,f=-0.91) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= -0.312 USER MOD Single : A 28 SER OG : rot -140:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc=-0.00498 F(o=-0.55,f=-0.005) USER MOD Single : A 33 HIS : no HE2:sc= -2.55! C(o=-2.5!,f=-5.1!) USER MOD Single : A 38 GLN : amide:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 93:sc= 0.0373 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.113 X(o=0.11,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 51 SER OG : rot 51:sc= 1.21 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.81 F(o=-2.7!,f=-1.8) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -150:sc= -0.279 (180deg=-1.36!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.154 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -137:sc= -2.26 (180deg=-5.06!) USER MOD Single : A 91 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=-0.024) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -15:sc= 1.01 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.363 -4.403 6.133 1.00 0.00 N ATOM 2 CA GLY A 1 -23.459 -4.190 7.249 1.00 0.00 C ATOM 3 C GLY A 1 -24.185 -3.759 8.508 1.00 0.00 C ATOM 4 O GLY A 1 -25.194 -3.057 8.442 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.977 -3.947 5.282 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.468 -5.423 5.961 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.292 -3.992 6.355 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.908 -5.110 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.725 -3.431 6.978 1.00 0.00 H new ATOM 8 N SER A 2 -23.671 -4.180 9.659 1.00 0.00 N ATOM 9 CA SER A 2 -24.280 -3.838 10.939 1.00 0.00 C ATOM 10 C SER A 2 -23.227 -3.339 11.925 1.00 0.00 C ATOM 11 O SER A 2 -22.027 -3.500 11.703 1.00 0.00 O ATOM 12 CB SER A 2 -25.006 -5.051 11.523 1.00 0.00 C ATOM 13 OG SER A 2 -24.121 -6.145 11.691 1.00 0.00 O ATOM 0 H SER A 2 -22.834 -4.759 9.731 1.00 0.00 H new ATOM 0 HA SER A 2 -25.002 -3.039 10.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.448 -4.786 12.484 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.825 -5.340 10.864 1.00 0.00 H new ATOM 0 HG SER A 2 -24.610 -6.906 12.067 1.00 0.00 H new ATOM 19 N SER A 3 -23.687 -2.731 13.014 1.00 0.00 N ATOM 20 CA SER A 3 -22.787 -2.204 14.033 1.00 0.00 C ATOM 21 C SER A 3 -22.689 -3.159 15.218 1.00 0.00 C ATOM 22 O SER A 3 -23.625 -3.285 16.007 1.00 0.00 O ATOM 23 CB SER A 3 -23.267 -0.831 14.507 1.00 0.00 C ATOM 24 OG SER A 3 -22.231 -0.130 15.171 1.00 0.00 O ATOM 0 H SER A 3 -24.678 -2.591 13.213 1.00 0.00 H new ATOM 0 HA SER A 3 -21.797 -2.101 13.590 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.615 -0.249 13.653 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.117 -0.951 15.178 1.00 0.00 H new ATOM 0 HG SER A 3 -22.563 0.745 15.463 1.00 0.00 H new ATOM 30 N GLY A 4 -21.548 -3.832 15.337 1.00 0.00 N ATOM 31 CA GLY A 4 -21.348 -4.767 16.428 1.00 0.00 C ATOM 32 C GLY A 4 -19.983 -4.625 17.071 1.00 0.00 C ATOM 33 O GLY A 4 -19.397 -3.542 17.066 1.00 0.00 O ATOM 0 H GLY A 4 -20.759 -3.746 14.697 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.119 -4.611 17.182 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.467 -5.785 16.056 1.00 0.00 H new ATOM 37 N SER A 5 -19.476 -5.720 17.628 1.00 0.00 N ATOM 38 CA SER A 5 -18.173 -5.711 18.283 1.00 0.00 C ATOM 39 C SER A 5 -17.072 -6.117 17.308 1.00 0.00 C ATOM 40 O SER A 5 -17.213 -7.089 16.565 1.00 0.00 O ATOM 41 CB SER A 5 -18.178 -6.654 19.487 1.00 0.00 C ATOM 42 OG SER A 5 -18.572 -7.962 19.109 1.00 0.00 O ATOM 0 H SER A 5 -19.947 -6.624 17.639 1.00 0.00 H new ATOM 0 HA SER A 5 -17.973 -4.696 18.627 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.184 -6.685 19.933 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.857 -6.272 20.249 1.00 0.00 H new ATOM 0 HG SER A 5 -18.565 -8.546 19.896 1.00 0.00 H new ATOM 48 N SER A 6 -15.975 -5.366 17.317 1.00 0.00 N ATOM 49 CA SER A 6 -14.850 -5.645 16.432 1.00 0.00 C ATOM 50 C SER A 6 -13.587 -5.938 17.235 1.00 0.00 C ATOM 51 O SER A 6 -13.513 -5.643 18.427 1.00 0.00 O ATOM 52 CB SER A 6 -14.608 -4.461 15.493 1.00 0.00 C ATOM 53 OG SER A 6 -13.556 -4.738 14.585 1.00 0.00 O ATOM 0 H SER A 6 -15.841 -4.560 17.927 1.00 0.00 H new ATOM 0 HA SER A 6 -15.095 -6.526 15.839 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.521 -4.239 14.940 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.365 -3.573 16.077 1.00 0.00 H new ATOM 0 HG SER A 6 -13.422 -3.967 13.995 1.00 0.00 H new ATOM 59 N GLY A 7 -12.593 -6.521 16.571 1.00 0.00 N ATOM 60 CA GLY A 7 -11.345 -6.845 17.238 1.00 0.00 C ATOM 61 C GLY A 7 -10.262 -7.267 16.265 1.00 0.00 C ATOM 62 O GLY A 7 -9.881 -8.438 16.218 1.00 0.00 O ATOM 0 H GLY A 7 -12.630 -6.775 15.584 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.003 -5.979 17.804 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.517 -7.647 17.956 1.00 0.00 H new ATOM 66 N LEU A 8 -9.764 -6.313 15.486 1.00 0.00 N ATOM 67 CA LEU A 8 -8.718 -6.592 14.509 1.00 0.00 C ATOM 68 C LEU A 8 -7.895 -5.341 14.220 1.00 0.00 C ATOM 69 O LEU A 8 -8.365 -4.417 13.557 1.00 0.00 O ATOM 70 CB LEU A 8 -9.333 -7.122 13.212 1.00 0.00 C ATOM 71 CG LEU A 8 -8.345 -7.605 12.149 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.611 -8.848 12.628 1.00 0.00 C ATOM 73 CD2 LEU A 8 -9.065 -7.881 10.838 1.00 0.00 C ATOM 0 H LEU A 8 -10.068 -5.340 15.512 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.057 -7.351 14.928 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.001 -7.947 13.461 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.948 -6.334 12.777 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.611 -6.818 11.978 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.912 -9.177 11.859 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.063 -8.617 13.541 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.331 -9.641 12.828 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.346 -8.224 10.093 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.821 -8.650 10.993 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.544 -6.967 10.486 1.00 0.00 H new ATOM 85 N GLU A 9 -6.664 -5.320 14.721 1.00 0.00 N ATOM 86 CA GLU A 9 -5.775 -4.182 14.515 1.00 0.00 C ATOM 87 C GLU A 9 -5.379 -4.060 13.047 1.00 0.00 C ATOM 88 O GLU A 9 -5.305 -5.056 12.326 1.00 0.00 O ATOM 89 CB GLU A 9 -4.523 -4.321 15.383 1.00 0.00 C ATOM 90 CG GLU A 9 -3.739 -3.028 15.532 1.00 0.00 C ATOM 91 CD GLU A 9 -2.260 -3.267 15.768 1.00 0.00 C ATOM 92 OE1 GLU A 9 -1.658 -4.058 15.013 1.00 0.00 O ATOM 93 OE2 GLU A 9 -1.704 -2.660 16.708 1.00 0.00 O ATOM 0 H GLU A 9 -6.260 -6.077 15.272 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.311 -3.278 14.805 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.814 -4.675 16.372 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.874 -5.082 14.950 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.867 -2.424 14.634 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.148 -2.453 16.363 1.00 0.00 H new ATOM 100 N THR A 10 -5.125 -2.831 12.608 1.00 0.00 N ATOM 101 CA THR A 10 -4.738 -2.577 11.226 1.00 0.00 C ATOM 102 C THR A 10 -3.898 -3.722 10.671 1.00 0.00 C ATOM 103 O THR A 10 -4.172 -4.236 9.587 1.00 0.00 O ATOM 104 CB THR A 10 -3.944 -1.263 11.098 1.00 0.00 C ATOM 105 OG1 THR A 10 -2.780 -1.311 11.931 1.00 0.00 O ATOM 106 CG2 THR A 10 -4.804 -0.071 11.487 1.00 0.00 C ATOM 0 H THR A 10 -5.181 -1.995 13.190 1.00 0.00 H new ATOM 0 HA THR A 10 -5.659 -2.494 10.649 1.00 0.00 H new ATOM 0 HB THR A 10 -3.641 -1.147 10.057 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.280 -0.473 11.843 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.222 0.845 11.389 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.674 -0.020 10.832 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.134 -0.182 12.520 1.00 0.00 H new ATOM 114 N SER A 11 -2.874 -4.116 11.422 1.00 0.00 N ATOM 115 CA SER A 11 -1.992 -5.199 11.003 1.00 0.00 C ATOM 116 C SER A 11 -2.793 -6.455 10.671 1.00 0.00 C ATOM 117 O SER A 11 -3.565 -6.947 11.493 1.00 0.00 O ATOM 118 CB SER A 11 -0.971 -5.507 12.100 1.00 0.00 C ATOM 119 OG SER A 11 -1.587 -6.143 13.206 1.00 0.00 O ATOM 0 H SER A 11 -2.635 -3.702 12.323 1.00 0.00 H new ATOM 0 HA SER A 11 -1.464 -4.878 10.105 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.185 -6.147 11.700 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.494 -4.583 12.427 1.00 0.00 H new ATOM 0 HG SER A 11 -1.677 -5.503 13.943 1.00 0.00 H new ATOM 125 N SER A 12 -2.602 -6.968 9.460 1.00 0.00 N ATOM 126 CA SER A 12 -3.308 -8.164 9.017 1.00 0.00 C ATOM 127 C SER A 12 -2.593 -8.810 7.834 1.00 0.00 C ATOM 128 O SER A 12 -1.709 -8.208 7.224 1.00 0.00 O ATOM 129 CB SER A 12 -4.748 -7.818 8.630 1.00 0.00 C ATOM 130 OG SER A 12 -5.536 -7.560 9.779 1.00 0.00 O ATOM 0 H SER A 12 -1.964 -6.574 8.768 1.00 0.00 H new ATOM 0 HA SER A 12 -3.322 -8.875 9.843 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.753 -6.945 7.978 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.184 -8.641 8.064 1.00 0.00 H new ATOM 0 HG SER A 12 -4.968 -7.582 10.577 1.00 0.00 H new ATOM 136 N TYR A 13 -2.983 -10.039 7.515 1.00 0.00 N ATOM 137 CA TYR A 13 -2.379 -10.769 6.407 1.00 0.00 C ATOM 138 C TYR A 13 -3.173 -10.563 5.121 1.00 0.00 C ATOM 139 O TYR A 13 -4.343 -10.937 5.033 1.00 0.00 O ATOM 140 CB TYR A 13 -2.297 -12.261 6.735 1.00 0.00 C ATOM 141 CG TYR A 13 -1.188 -12.983 6.004 1.00 0.00 C ATOM 142 CD1 TYR A 13 -1.057 -12.879 4.625 1.00 0.00 C ATOM 143 CD2 TYR A 13 -0.272 -13.769 6.692 1.00 0.00 C ATOM 144 CE1 TYR A 13 -0.045 -13.537 3.952 1.00 0.00 C ATOM 145 CE2 TYR A 13 0.743 -14.429 6.028 1.00 0.00 C ATOM 146 CZ TYR A 13 0.852 -14.310 4.658 1.00 0.00 C ATOM 147 OH TYR A 13 1.861 -14.968 3.992 1.00 0.00 O ATOM 0 H TYR A 13 -3.715 -10.551 8.008 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.372 -10.381 6.257 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.151 -12.381 7.809 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.249 -12.731 6.489 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.758 -12.274 4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.355 -13.865 7.764 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.043 -13.446 2.879 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.448 -15.035 6.578 1.00 0.00 H new ATOM 0 HH TYR A 13 2.406 -15.467 4.635 1.00 0.00 H new ATOM 157 N LEU A 14 -2.528 -9.965 4.125 1.00 0.00 N ATOM 158 CA LEU A 14 -3.173 -9.709 2.841 1.00 0.00 C ATOM 159 C LEU A 14 -2.396 -10.360 1.702 1.00 0.00 C ATOM 160 O LEU A 14 -1.282 -10.846 1.896 1.00 0.00 O ATOM 161 CB LEU A 14 -3.289 -8.203 2.599 1.00 0.00 C ATOM 162 CG LEU A 14 -4.462 -7.501 3.283 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.475 -6.020 2.936 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.778 -8.154 2.887 1.00 0.00 C ATOM 0 H LEU A 14 -1.560 -9.649 4.181 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.172 -10.145 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.365 -7.730 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.366 -8.033 1.525 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.340 -7.599 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.317 -5.537 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.545 -5.560 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.572 -5.900 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.602 -7.642 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.907 -8.087 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.769 -9.202 3.187 1.00 0.00 H new ATOM 176 N ASN A 15 -2.990 -10.365 0.514 1.00 0.00 N ATOM 177 CA ASN A 15 -2.353 -10.955 -0.658 1.00 0.00 C ATOM 178 C ASN A 15 -1.788 -9.873 -1.573 1.00 0.00 C ATOM 179 O ASN A 15 -2.534 -9.161 -2.244 1.00 0.00 O ATOM 180 CB ASN A 15 -3.355 -11.819 -1.428 1.00 0.00 C ATOM 181 CG ASN A 15 -3.407 -13.243 -0.911 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.457 -13.728 -0.297 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.522 -13.921 -1.159 1.00 0.00 N ATOM 0 H ASN A 15 -3.912 -9.967 0.337 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.530 -11.582 -0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.347 -11.373 -1.355 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.086 -11.828 -2.484 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.616 -14.884 -0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.285 -13.479 -1.672 1.00 0.00 H new ATOM 190 N VAL A 16 -0.464 -9.757 -1.595 1.00 0.00 N ATOM 191 CA VAL A 16 0.202 -8.763 -2.429 1.00 0.00 C ATOM 192 C VAL A 16 0.555 -9.340 -3.795 1.00 0.00 C ATOM 193 O VAL A 16 1.324 -10.297 -3.898 1.00 0.00 O ATOM 194 CB VAL A 16 1.486 -8.238 -1.759 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.185 -7.231 -2.659 1.00 0.00 C ATOM 196 CG2 VAL A 16 1.166 -7.623 -0.405 1.00 0.00 C ATOM 0 H VAL A 16 0.168 -10.339 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.497 -7.936 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 16 2.162 -9.078 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.090 -6.871 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.449 -7.708 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.518 -6.391 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.084 -7.257 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.471 -6.794 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.713 -8.377 0.239 1.00 0.00 H new ATOM 206 N LEU A 17 -0.012 -8.753 -4.843 1.00 0.00 N ATOM 207 CA LEU A 17 0.242 -9.207 -6.206 1.00 0.00 C ATOM 208 C LEU A 17 1.740 -9.277 -6.486 1.00 0.00 C ATOM 209 O LEU A 17 2.499 -8.395 -6.084 1.00 0.00 O ATOM 210 CB LEU A 17 -0.433 -8.273 -7.211 1.00 0.00 C ATOM 211 CG LEU A 17 -0.728 -8.868 -8.588 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.767 -9.973 -8.480 1.00 0.00 C ATOM 213 CD2 LEU A 17 -1.196 -7.784 -9.548 1.00 0.00 C ATOM 0 H LEU A 17 -0.651 -7.961 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.177 -10.208 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.371 -7.925 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.201 -7.396 -7.344 1.00 0.00 H new ATOM 0 HG LEU A 17 0.192 -9.300 -8.981 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.964 -10.385 -9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.393 -10.761 -7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.689 -9.566 -8.066 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.401 -8.226 -10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.104 -7.322 -9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.418 -7.027 -9.649 1.00 0.00 H new ATOM 225 N VAL A 18 2.159 -10.332 -7.179 1.00 0.00 N ATOM 226 CA VAL A 18 3.565 -10.516 -7.516 1.00 0.00 C ATOM 227 C VAL A 18 3.724 -11.098 -8.915 1.00 0.00 C ATOM 228 O VAL A 18 3.466 -12.280 -9.140 1.00 0.00 O ATOM 229 CB VAL A 18 4.269 -11.440 -6.504 1.00 0.00 C ATOM 230 CG1 VAL A 18 5.718 -11.666 -6.905 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.179 -10.860 -5.101 1.00 0.00 C ATOM 0 H VAL A 18 1.544 -11.072 -7.518 1.00 0.00 H new ATOM 0 HA VAL A 18 4.030 -9.531 -7.481 1.00 0.00 H new ATOM 0 HB VAL A 18 3.762 -12.405 -6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.199 -12.321 -6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.755 -12.129 -7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.241 -10.710 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.681 -11.526 -4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.659 -9.882 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.132 -10.756 -4.817 1.00 0.00 H new ATOM 241 N ASN A 19 4.150 -10.260 -9.855 1.00 0.00 N ATOM 242 CA ASN A 19 4.342 -10.692 -11.234 1.00 0.00 C ATOM 243 C ASN A 19 3.095 -11.393 -11.764 1.00 0.00 C ATOM 244 O ASN A 19 3.172 -12.502 -12.292 1.00 0.00 O ATOM 245 CB ASN A 19 5.549 -11.628 -11.334 1.00 0.00 C ATOM 246 CG ASN A 19 6.841 -10.879 -11.601 1.00 0.00 C ATOM 247 OD1 ASN A 19 6.867 -9.919 -12.370 1.00 0.00 O ATOM 248 ND2 ASN A 19 7.920 -11.318 -10.964 1.00 0.00 N ATOM 0 H ASN A 19 4.369 -9.278 -9.686 1.00 0.00 H new ATOM 0 HA ASN A 19 4.525 -9.807 -11.843 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.645 -12.193 -10.407 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.380 -12.351 -12.132 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.818 -10.855 -11.103 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.851 -12.118 -10.335 1.00 0.00 H new ATOM 255 N SER A 20 1.948 -10.737 -11.620 1.00 0.00 N ATOM 256 CA SER A 20 0.684 -11.299 -12.081 1.00 0.00 C ATOM 257 C SER A 20 0.349 -12.579 -11.322 1.00 0.00 C ATOM 258 O SER A 20 -0.229 -13.511 -11.880 1.00 0.00 O ATOM 259 CB SER A 20 0.746 -11.584 -13.582 1.00 0.00 C ATOM 260 OG SER A 20 0.877 -10.384 -14.325 1.00 0.00 O ATOM 0 H SER A 20 1.868 -9.816 -11.188 1.00 0.00 H new ATOM 0 HA SER A 20 -0.101 -10.568 -11.889 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.589 -12.241 -13.796 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.156 -12.111 -13.893 1.00 0.00 H new ATOM 0 HG SER A 20 0.916 -10.594 -15.281 1.00 0.00 H new ATOM 266 N GLN A 21 0.718 -12.616 -10.045 1.00 0.00 N ATOM 267 CA GLN A 21 0.457 -13.782 -9.209 1.00 0.00 C ATOM 268 C GLN A 21 0.247 -13.373 -7.755 1.00 0.00 C ATOM 269 O GLN A 21 1.100 -12.721 -7.154 1.00 0.00 O ATOM 270 CB GLN A 21 1.616 -14.777 -9.309 1.00 0.00 C ATOM 271 CG GLN A 21 1.455 -15.786 -10.434 1.00 0.00 C ATOM 272 CD GLN A 21 2.412 -16.956 -10.309 1.00 0.00 C ATOM 273 OE1 GLN A 21 2.895 -17.264 -9.219 1.00 0.00 O ATOM 274 NE2 GLN A 21 2.690 -17.615 -11.428 1.00 0.00 N ATOM 0 H GLN A 21 1.198 -11.853 -9.568 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.455 -14.259 -9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.545 -14.226 -9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.708 -15.311 -8.363 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.431 -16.158 -10.439 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.618 -15.288 -11.390 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.267 -17.325 -12.309 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.327 -18.411 -11.406 1.00 0.00 H new ATOM 283 N TRP A 22 -0.894 -13.761 -7.196 1.00 0.00 N ATOM 284 CA TRP A 22 -1.216 -13.434 -5.812 1.00 0.00 C ATOM 285 C TRP A 22 -0.403 -14.289 -4.847 1.00 0.00 C ATOM 286 O TRP A 22 -0.629 -15.494 -4.727 1.00 0.00 O ATOM 287 CB TRP A 22 -2.711 -13.633 -5.554 1.00 0.00 C ATOM 288 CG TRP A 22 -3.577 -12.662 -6.299 1.00 0.00 C ATOM 289 CD1 TRP A 22 -4.336 -12.921 -7.404 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.770 -11.277 -5.992 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.989 -11.781 -7.803 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.660 -10.758 -6.953 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.280 -10.425 -4.999 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -5.067 -9.427 -6.948 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.685 -9.104 -4.996 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.571 -8.615 -5.964 1.00 0.00 C ATOM 0 H TRP A 22 -1.611 -14.302 -7.680 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.961 -12.388 -5.643 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.989 -14.648 -5.837 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.904 -13.536 -4.486 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.412 -13.881 -7.892 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.618 -11.708 -8.603 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.597 -10.792 -4.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.750 -9.048 -7.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.312 -8.437 -4.233 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.869 -7.577 -5.934 1.00 0.00 H new ATOM 307 N LYS A 23 0.544 -13.660 -4.160 1.00 0.00 N ATOM 308 CA LYS A 23 1.391 -14.363 -3.203 1.00 0.00 C ATOM 309 C LYS A 23 1.162 -13.842 -1.788 1.00 0.00 C ATOM 310 O LYS A 23 1.299 -12.647 -1.527 1.00 0.00 O ATOM 311 CB LYS A 23 2.865 -14.206 -3.584 1.00 0.00 C ATOM 312 CG LYS A 23 3.157 -14.538 -5.036 1.00 0.00 C ATOM 313 CD LYS A 23 3.407 -16.025 -5.229 1.00 0.00 C ATOM 314 CE LYS A 23 4.423 -16.281 -6.332 1.00 0.00 C ATOM 315 NZ LYS A 23 4.496 -17.723 -6.695 1.00 0.00 N ATOM 0 H LYS A 23 0.745 -12.664 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 23 1.126 -15.420 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.176 -13.180 -3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.467 -14.851 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.318 -14.226 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.028 -13.975 -5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.765 -16.459 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.469 -16.524 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.157 -15.698 -7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.405 -15.938 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.491 -18.002 -6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.061 -18.293 -5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.987 -17.882 -7.588 1.00 0.00 H new ATOM 329 N SER A 24 0.813 -14.747 -0.878 1.00 0.00 N ATOM 330 CA SER A 24 0.563 -14.377 0.510 1.00 0.00 C ATOM 331 C SER A 24 1.715 -13.547 1.067 1.00 0.00 C ATOM 332 O SER A 24 2.860 -13.998 1.101 1.00 0.00 O ATOM 333 CB SER A 24 0.362 -15.630 1.365 1.00 0.00 C ATOM 334 OG SER A 24 -0.841 -16.295 1.020 1.00 0.00 O ATOM 0 H SER A 24 0.697 -15.741 -1.077 1.00 0.00 H new ATOM 0 HA SER A 24 -0.345 -13.774 0.542 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.206 -16.306 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.340 -15.355 2.419 1.00 0.00 H new ATOM 0 HG SER A 24 -1.453 -15.662 0.589 1.00 0.00 H new ATOM 340 N ARG A 25 1.403 -12.331 1.504 1.00 0.00 N ATOM 341 CA ARG A 25 2.411 -11.436 2.059 1.00 0.00 C ATOM 342 C ARG A 25 1.826 -10.592 3.188 1.00 0.00 C ATOM 343 O ARG A 25 0.645 -10.246 3.169 1.00 0.00 O ATOM 344 CB ARG A 25 2.973 -10.526 0.965 1.00 0.00 C ATOM 345 CG ARG A 25 3.930 -9.467 1.487 1.00 0.00 C ATOM 346 CD ARG A 25 5.365 -9.970 1.497 1.00 0.00 C ATOM 347 NE ARG A 25 5.496 -11.236 2.212 1.00 0.00 N ATOM 348 CZ ARG A 25 6.388 -12.169 1.898 1.00 0.00 C ATOM 349 NH1 ARG A 25 7.224 -11.977 0.887 1.00 0.00 N ATOM 350 NH2 ARG A 25 6.446 -13.296 2.596 1.00 0.00 N ATOM 0 H ARG A 25 0.460 -11.943 1.484 1.00 0.00 H new ATOM 0 HA ARG A 25 3.218 -12.045 2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.489 -11.138 0.225 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.146 -10.035 0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.861 -8.574 0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.638 -9.177 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.712 -10.095 0.471 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.008 -9.223 1.962 1.00 0.00 H new ATOM 0 HE ARG A 25 4.868 -11.414 2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.183 -11.112 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.908 -12.695 0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.805 -13.447 3.375 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.131 -14.011 2.354 1.00 0.00 H new ATOM 364 N TRP A 26 2.660 -10.266 4.168 1.00 0.00 N ATOM 365 CA TRP A 26 2.226 -9.463 5.306 1.00 0.00 C ATOM 366 C TRP A 26 2.173 -7.984 4.939 1.00 0.00 C ATOM 367 O TRP A 26 3.058 -7.474 4.250 1.00 0.00 O ATOM 368 CB TRP A 26 3.166 -9.674 6.493 1.00 0.00 C ATOM 369 CG TRP A 26 2.581 -9.231 7.800 1.00 0.00 C ATOM 370 CD1 TRP A 26 2.213 -7.962 8.146 1.00 0.00 C ATOM 371 CD2 TRP A 26 2.297 -10.056 8.936 1.00 0.00 C ATOM 372 NE1 TRP A 26 1.718 -7.948 9.428 1.00 0.00 N ATOM 373 CE2 TRP A 26 1.758 -9.220 9.934 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.444 -11.419 9.206 1.00 0.00 C ATOM 375 CZ2 TRP A 26 1.369 -9.705 11.179 1.00 0.00 C ATOM 376 CZ3 TRP A 26 2.057 -11.899 10.442 1.00 0.00 C ATOM 377 CH2 TRP A 26 1.523 -11.044 11.416 1.00 0.00 C ATOM 0 H TRP A 26 3.641 -10.545 4.198 1.00 0.00 H new ATOM 0 HA TRP A 26 1.223 -9.785 5.585 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.425 -10.731 6.559 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.093 -9.129 6.315 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.298 -7.096 7.506 1.00 0.00 H new ATOM 0 HE1 TRP A 26 1.376 -7.124 9.922 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.853 -12.086 8.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.960 -9.048 11.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.168 -12.951 10.662 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.227 -11.450 12.372 1.00 0.00 H new ATOM 388 N CYS A 27 1.133 -7.301 5.404 1.00 0.00 N ATOM 389 CA CYS A 27 0.966 -5.879 5.124 1.00 0.00 C ATOM 390 C CYS A 27 0.643 -5.108 6.400 1.00 0.00 C ATOM 391 O CYS A 27 -0.287 -5.455 7.128 1.00 0.00 O ATOM 392 CB CYS A 27 -0.143 -5.668 4.092 1.00 0.00 C ATOM 393 SG CYS A 27 0.379 -5.939 2.382 1.00 0.00 S ATOM 0 H CYS A 27 0.393 -7.708 5.976 1.00 0.00 H new ATOM 0 HA CYS A 27 1.905 -5.501 4.720 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.969 -6.342 4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.525 -4.652 4.187 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.628 -5.739 1.584 1.00 0.00 H new ATOM 399 N SER A 28 1.418 -4.062 6.666 1.00 0.00 N ATOM 400 CA SER A 28 1.218 -3.245 7.857 1.00 0.00 C ATOM 401 C SER A 28 1.278 -1.760 7.513 1.00 0.00 C ATOM 402 O SER A 28 2.214 -1.298 6.860 1.00 0.00 O ATOM 403 CB SER A 28 2.274 -3.578 8.913 1.00 0.00 C ATOM 404 OG SER A 28 1.754 -3.421 10.221 1.00 0.00 O ATOM 0 H SER A 28 2.191 -3.760 6.073 1.00 0.00 H new ATOM 0 HA SER A 28 0.230 -3.468 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.619 -4.603 8.776 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.140 -2.930 8.782 1.00 0.00 H new ATOM 0 HG SER A 28 2.435 -3.015 10.797 1.00 0.00 H new ATOM 410 N VAL A 29 0.270 -1.015 7.958 1.00 0.00 N ATOM 411 CA VAL A 29 0.207 0.419 7.699 1.00 0.00 C ATOM 412 C VAL A 29 0.585 1.218 8.941 1.00 0.00 C ATOM 413 O VAL A 29 0.074 0.968 10.032 1.00 0.00 O ATOM 414 CB VAL A 29 -1.199 0.844 7.236 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.350 2.356 7.306 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.472 0.337 5.828 1.00 0.00 C ATOM 0 H VAL A 29 -0.513 -1.381 8.499 1.00 0.00 H new ATOM 0 HA VAL A 29 0.922 0.630 6.904 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.934 0.398 7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.350 2.638 6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.200 2.689 8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.608 2.826 6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.470 0.646 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.733 0.752 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.409 -0.751 5.814 1.00 0.00 H new ATOM 426 N ARG A 30 1.483 2.182 8.766 1.00 0.00 N ATOM 427 CA ARG A 30 1.930 3.019 9.873 1.00 0.00 C ATOM 428 C ARG A 30 2.366 4.394 9.374 1.00 0.00 C ATOM 429 O ARG A 30 2.980 4.514 8.313 1.00 0.00 O ATOM 430 CB ARG A 30 3.085 2.345 10.616 1.00 0.00 C ATOM 431 CG ARG A 30 3.147 2.697 12.093 1.00 0.00 C ATOM 432 CD ARG A 30 4.004 3.929 12.337 1.00 0.00 C ATOM 433 NE ARG A 30 4.522 3.975 13.701 1.00 0.00 N ATOM 434 CZ ARG A 30 3.838 4.462 14.731 1.00 0.00 C ATOM 435 NH1 ARG A 30 2.615 4.941 14.552 1.00 0.00 N ATOM 436 NH2 ARG A 30 4.378 4.469 15.943 1.00 0.00 N ATOM 0 H ARG A 30 1.915 2.403 7.869 1.00 0.00 H new ATOM 0 HA ARG A 30 1.092 3.149 10.558 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.991 1.264 10.512 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.025 2.630 10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.139 2.873 12.469 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.553 1.854 12.652 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.836 3.937 11.633 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.414 4.825 12.143 1.00 0.00 H new ATOM 0 HE ARG A 30 5.460 3.614 13.873 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.197 4.936 13.622 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.092 5.314 15.344 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.319 4.100 16.084 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.853 4.843 16.733 1.00 0.00 H new ATOM 450 N ASP A 31 2.045 5.426 10.145 1.00 0.00 N ATOM 451 CA ASP A 31 2.403 6.793 9.782 1.00 0.00 C ATOM 452 C ASP A 31 2.060 7.075 8.322 1.00 0.00 C ATOM 453 O ASP A 31 2.819 7.733 7.612 1.00 0.00 O ATOM 454 CB ASP A 31 3.894 7.032 10.023 1.00 0.00 C ATOM 455 CG ASP A 31 4.255 8.505 10.001 1.00 0.00 C ATOM 456 OD1 ASP A 31 3.540 9.281 9.333 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.253 8.881 10.651 1.00 0.00 O ATOM 0 H ASP A 31 1.537 5.343 11.026 1.00 0.00 H new ATOM 0 HA ASP A 31 1.827 7.473 10.410 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.176 6.606 10.986 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.471 6.508 9.261 1.00 0.00 H new ATOM 462 N ASN A 32 0.912 6.571 7.882 1.00 0.00 N ATOM 463 CA ASN A 32 0.469 6.767 6.506 1.00 0.00 C ATOM 464 C ASN A 32 1.445 6.127 5.524 1.00 0.00 C ATOM 465 O ASN A 32 1.855 6.749 4.543 1.00 0.00 O ATOM 466 CB ASN A 32 0.328 8.260 6.202 1.00 0.00 C ATOM 467 CG ASN A 32 -0.714 8.932 7.075 1.00 0.00 C ATOM 468 OD1 ASN A 32 -1.950 8.453 6.996 1.00 0.00 O flip ATOM 469 ND2 ASN A 32 -0.411 9.871 7.812 1.00 0.00 N flip ATOM 0 H ASN A 32 0.272 6.024 8.458 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.502 6.286 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.291 8.750 6.347 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.059 8.391 5.154 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.552 10.207 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.123 10.313 8.394 1.00 0.00 H new ATOM 476 N HIS A 33 1.813 4.878 5.793 1.00 0.00 N ATOM 477 CA HIS A 33 2.740 4.152 4.932 1.00 0.00 C ATOM 478 C HIS A 33 2.488 2.649 5.008 1.00 0.00 C ATOM 479 O HIS A 33 2.351 2.086 6.094 1.00 0.00 O ATOM 480 CB HIS A 33 4.184 4.459 5.328 1.00 0.00 C ATOM 481 CG HIS A 33 4.727 5.704 4.696 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.491 6.966 5.198 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.500 5.875 3.598 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.094 7.861 4.434 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.713 7.224 3.457 1.00 0.00 N ATOM 0 H HIS A 33 1.484 4.348 6.600 1.00 0.00 H new ATOM 0 HA HIS A 33 2.575 4.479 3.905 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.242 4.557 6.412 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.816 3.615 5.050 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.938 7.176 6.029 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.879 5.096 2.953 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.082 8.931 4.584 1.00 0.00 H new ATOM 494 N LEU A 34 2.426 2.005 3.847 1.00 0.00 N ATOM 495 CA LEU A 34 2.189 0.567 3.782 1.00 0.00 C ATOM 496 C LEU A 34 3.503 -0.195 3.633 1.00 0.00 C ATOM 497 O LEU A 34 4.188 -0.080 2.617 1.00 0.00 O ATOM 498 CB LEU A 34 1.260 0.236 2.613 1.00 0.00 C ATOM 499 CG LEU A 34 1.200 -1.235 2.198 1.00 0.00 C ATOM 500 CD1 LEU A 34 1.076 -2.129 3.422 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.041 -1.473 1.242 1.00 0.00 C ATOM 0 H LEU A 34 2.537 2.456 2.939 1.00 0.00 H new ATOM 0 HA LEU A 34 1.715 0.259 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.252 0.561 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.572 0.824 1.750 1.00 0.00 H new ATOM 0 HG LEU A 34 2.127 -1.486 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.035 -3.172 3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.939 -1.979 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.165 -1.877 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.014 -2.525 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.895 -1.205 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.173 -0.859 0.351 1.00 0.00 H new ATOM 513 N HIS A 35 3.847 -0.975 4.653 1.00 0.00 N ATOM 514 CA HIS A 35 5.077 -1.758 4.635 1.00 0.00 C ATOM 515 C HIS A 35 4.790 -3.211 4.268 1.00 0.00 C ATOM 516 O HIS A 35 3.634 -3.630 4.206 1.00 0.00 O ATOM 517 CB HIS A 35 5.769 -1.692 5.997 1.00 0.00 C ATOM 518 CG HIS A 35 6.199 -0.310 6.383 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.521 0.069 6.476 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.472 0.787 6.700 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.590 1.338 6.834 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.360 1.798 6.977 1.00 0.00 N ATOM 0 H HIS A 35 3.291 -1.081 5.502 1.00 0.00 H new ATOM 0 HA HIS A 35 5.738 -1.333 3.879 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.092 -2.079 6.759 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.642 -2.345 5.984 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.395 0.855 6.730 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.498 1.904 6.984 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.110 2.749 7.249 1.00 0.00 H new ATOM 531 N PHE A 36 5.850 -3.975 4.024 1.00 0.00 N ATOM 532 CA PHE A 36 5.712 -5.380 3.661 1.00 0.00 C ATOM 533 C PHE A 36 6.674 -6.248 4.468 1.00 0.00 C ATOM 534 O PHE A 36 7.818 -5.864 4.712 1.00 0.00 O ATOM 535 CB PHE A 36 5.970 -5.570 2.165 1.00 0.00 C ATOM 536 CG PHE A 36 4.996 -4.833 1.291 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.907 -3.452 1.341 1.00 0.00 C ATOM 538 CD2 PHE A 36 4.168 -5.523 0.419 1.00 0.00 C ATOM 539 CE1 PHE A 36 4.012 -2.770 0.537 1.00 0.00 C ATOM 540 CE2 PHE A 36 3.271 -4.847 -0.387 1.00 0.00 C ATOM 541 CZ PHE A 36 3.192 -3.469 -0.327 1.00 0.00 C ATOM 0 H PHE A 36 6.814 -3.644 4.071 1.00 0.00 H new ATOM 0 HA PHE A 36 4.692 -5.689 3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.981 -5.234 1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.926 -6.633 1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.544 -2.901 2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.224 -6.600 0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.954 -1.693 0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.632 -5.396 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.490 -2.939 -0.954 1.00 0.00 H new ATOM 551 N TYR A 37 6.201 -7.418 4.881 1.00 0.00 N ATOM 552 CA TYR A 37 7.016 -8.340 5.663 1.00 0.00 C ATOM 553 C TYR A 37 6.785 -9.782 5.222 1.00 0.00 C ATOM 554 O TYR A 37 5.874 -10.065 4.444 1.00 0.00 O ATOM 555 CB TYR A 37 6.702 -8.194 7.153 1.00 0.00 C ATOM 556 CG TYR A 37 6.696 -6.760 7.632 1.00 0.00 C ATOM 557 CD1 TYR A 37 7.883 -6.096 7.913 1.00 0.00 C ATOM 558 CD2 TYR A 37 5.503 -6.069 7.806 1.00 0.00 C ATOM 559 CE1 TYR A 37 7.883 -4.786 8.352 1.00 0.00 C ATOM 560 CE2 TYR A 37 5.493 -4.759 8.244 1.00 0.00 C ATOM 561 CZ TYR A 37 6.685 -4.122 8.516 1.00 0.00 C ATOM 562 OH TYR A 37 6.679 -2.817 8.953 1.00 0.00 O ATOM 0 H TYR A 37 5.257 -7.751 4.687 1.00 0.00 H new ATOM 0 HA TYR A 37 8.064 -8.091 5.493 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.729 -8.640 7.356 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.437 -8.757 7.728 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.823 -6.613 7.786 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.567 -6.565 7.595 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.815 -4.285 8.566 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.557 -4.237 8.373 1.00 0.00 H new ATOM 0 HH TYR A 37 5.755 -2.497 9.014 1.00 0.00 H new ATOM 572 N GLN A 38 7.616 -10.688 5.725 1.00 0.00 N ATOM 573 CA GLN A 38 7.503 -12.101 5.384 1.00 0.00 C ATOM 574 C GLN A 38 6.987 -12.908 6.570 1.00 0.00 C ATOM 575 O GLN A 38 7.376 -14.060 6.766 1.00 0.00 O ATOM 576 CB GLN A 38 8.857 -12.648 4.929 1.00 0.00 C ATOM 577 CG GLN A 38 9.344 -12.055 3.617 1.00 0.00 C ATOM 578 CD GLN A 38 10.295 -12.975 2.878 1.00 0.00 C ATOM 579 OE1 GLN A 38 11.453 -12.630 2.642 1.00 0.00 O ATOM 580 NE2 GLN A 38 9.811 -14.155 2.508 1.00 0.00 N ATOM 0 H GLN A 38 8.375 -10.469 6.370 1.00 0.00 H new ATOM 0 HA GLN A 38 6.788 -12.195 4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.598 -12.451 5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.785 -13.731 4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.486 -11.838 2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.843 -11.106 3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.845 -14.400 2.724 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.405 -14.816 2.008 1.00 0.00 H new ATOM 589 N ASP A 39 6.110 -12.297 7.359 1.00 0.00 N ATOM 590 CA ASP A 39 5.540 -12.959 8.527 1.00 0.00 C ATOM 591 C ASP A 39 6.605 -13.190 9.594 1.00 0.00 C ATOM 592 O ASP A 39 6.621 -14.228 10.256 1.00 0.00 O ATOM 593 CB ASP A 39 4.907 -14.292 8.125 1.00 0.00 C ATOM 594 CG ASP A 39 3.809 -14.722 9.078 1.00 0.00 C ATOM 595 OD1 ASP A 39 2.669 -14.236 8.927 1.00 0.00 O ATOM 596 OD2 ASP A 39 4.090 -15.543 9.976 1.00 0.00 O ATOM 0 H ASP A 39 5.778 -11.344 7.211 1.00 0.00 H new ATOM 0 HA ASP A 39 4.769 -12.310 8.942 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.498 -14.208 7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.678 -15.062 8.092 1.00 0.00 H new ATOM 601 N ARG A 40 7.494 -12.215 9.756 1.00 0.00 N ATOM 602 CA ARG A 40 8.564 -12.313 10.742 1.00 0.00 C ATOM 603 C ARG A 40 8.351 -11.315 11.876 1.00 0.00 C ATOM 604 O ARG A 40 9.295 -10.680 12.343 1.00 0.00 O ATOM 605 CB ARG A 40 9.921 -12.066 10.079 1.00 0.00 C ATOM 606 CG ARG A 40 10.597 -13.334 9.584 1.00 0.00 C ATOM 607 CD ARG A 40 10.144 -13.694 8.178 1.00 0.00 C ATOM 608 NE ARG A 40 11.036 -14.663 7.547 1.00 0.00 N ATOM 609 CZ ARG A 40 10.930 -15.976 7.712 1.00 0.00 C ATOM 610 NH1 ARG A 40 9.975 -16.476 8.484 1.00 0.00 N ATOM 611 NH2 ARG A 40 11.780 -16.794 7.104 1.00 0.00 N ATOM 0 H ARG A 40 7.494 -11.349 9.217 1.00 0.00 H new ATOM 0 HA ARG A 40 8.549 -13.320 11.159 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.787 -11.384 9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.579 -11.568 10.792 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.679 -13.199 9.596 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.371 -14.157 10.262 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.134 -14.102 8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.100 -12.791 7.569 1.00 0.00 H new ATOM 0 HE ARG A 40 11.782 -14.312 6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.319 -15.851 8.953 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.896 -17.485 8.609 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.516 -16.414 6.509 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.697 -17.803 7.232 1.00 0.00 H new ATOM 625 N ASN A 41 7.103 -11.182 12.314 1.00 0.00 N ATOM 626 CA ASN A 41 6.765 -10.261 13.393 1.00 0.00 C ATOM 627 C ASN A 41 7.318 -8.867 13.111 1.00 0.00 C ATOM 628 O ASN A 41 7.819 -8.193 14.011 1.00 0.00 O ATOM 629 CB ASN A 41 7.313 -10.779 14.724 1.00 0.00 C ATOM 630 CG ASN A 41 6.441 -11.865 15.324 1.00 0.00 C ATOM 631 OD1 ASN A 41 6.482 -13.018 14.895 1.00 0.00 O ATOM 632 ND2 ASN A 41 5.644 -11.500 16.322 1.00 0.00 N ATOM 0 H ASN A 41 6.309 -11.701 11.938 1.00 0.00 H new ATOM 0 HA ASN A 41 5.679 -10.196 13.455 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.320 -11.167 14.573 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.393 -9.951 15.428 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.034 -12.187 16.765 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.642 -10.533 16.646 1.00 0.00 H new ATOM 639 N ARG A 42 7.223 -8.441 11.855 1.00 0.00 N ATOM 640 CA ARG A 42 7.714 -7.129 11.455 1.00 0.00 C ATOM 641 C ARG A 42 9.207 -6.996 11.740 1.00 0.00 C ATOM 642 O ARG A 42 9.665 -5.968 12.239 1.00 0.00 O ATOM 643 CB ARG A 42 6.944 -6.027 12.187 1.00 0.00 C ATOM 644 CG ARG A 42 5.612 -5.684 11.542 1.00 0.00 C ATOM 645 CD ARG A 42 4.910 -4.555 12.281 1.00 0.00 C ATOM 646 NE ARG A 42 5.693 -3.323 12.270 1.00 0.00 N ATOM 647 CZ ARG A 42 6.637 -3.044 13.162 1.00 0.00 C ATOM 648 NH1 ARG A 42 6.913 -3.906 14.131 1.00 0.00 N ATOM 649 NH2 ARG A 42 7.307 -1.901 13.085 1.00 0.00 N ATOM 0 H ARG A 42 6.810 -8.986 11.098 1.00 0.00 H new ATOM 0 HA ARG A 42 7.556 -7.022 10.382 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.770 -6.340 13.217 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.561 -5.129 12.227 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.773 -5.396 10.503 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.973 -6.567 11.532 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.938 -4.371 11.823 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.724 -4.857 13.312 1.00 0.00 H new ATOM 0 HE ARG A 42 5.505 -2.639 11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.400 -4.785 14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.638 -3.690 14.815 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.097 -1.236 12.341 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.032 -1.687 13.770 1.00 0.00 H new ATOM 663 N SER A 43 9.961 -8.043 11.419 1.00 0.00 N ATOM 664 CA SER A 43 11.401 -8.046 11.645 1.00 0.00 C ATOM 665 C SER A 43 12.155 -8.271 10.338 1.00 0.00 C ATOM 666 O SER A 43 13.166 -7.621 10.070 1.00 0.00 O ATOM 667 CB SER A 43 11.778 -9.129 12.658 1.00 0.00 C ATOM 668 OG SER A 43 11.155 -8.896 13.909 1.00 0.00 O ATOM 0 H SER A 43 9.598 -8.900 11.002 1.00 0.00 H new ATOM 0 HA SER A 43 11.683 -7.072 12.044 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.482 -10.106 12.277 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.860 -9.151 12.786 1.00 0.00 H new ATOM 0 HG SER A 43 10.303 -9.379 13.945 1.00 0.00 H new ATOM 674 N LYS A 44 11.656 -9.198 9.527 1.00 0.00 N ATOM 675 CA LYS A 44 12.280 -9.511 8.247 1.00 0.00 C ATOM 676 C LYS A 44 11.437 -8.986 7.088 1.00 0.00 C ATOM 677 O LYS A 44 10.762 -9.753 6.401 1.00 0.00 O ATOM 678 CB LYS A 44 12.474 -11.022 8.106 1.00 0.00 C ATOM 679 CG LYS A 44 13.676 -11.405 7.260 1.00 0.00 C ATOM 680 CD LYS A 44 13.339 -11.401 5.779 1.00 0.00 C ATOM 681 CE LYS A 44 14.399 -12.126 4.964 1.00 0.00 C ATOM 682 NZ LYS A 44 15.481 -11.206 4.516 1.00 0.00 N ATOM 0 H LYS A 44 10.821 -9.746 9.734 1.00 0.00 H new ATOM 0 HA LYS A 44 13.254 -9.022 8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.584 -11.460 9.098 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.577 -11.455 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.493 -10.709 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.027 -12.395 7.552 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.371 -11.877 5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.249 -10.373 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.830 -12.929 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.934 -12.590 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.183 -11.739 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.074 -10.454 3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.942 -10.782 5.346 1.00 0.00 H new ATOM 696 N VAL A 45 11.482 -7.675 6.876 1.00 0.00 N ATOM 697 CA VAL A 45 10.725 -7.048 5.799 1.00 0.00 C ATOM 698 C VAL A 45 10.944 -7.776 4.478 1.00 0.00 C ATOM 699 O VAL A 45 12.044 -8.249 4.192 1.00 0.00 O ATOM 700 CB VAL A 45 11.113 -5.568 5.627 1.00 0.00 C ATOM 701 CG1 VAL A 45 12.582 -5.441 5.253 1.00 0.00 C ATOM 702 CG2 VAL A 45 10.229 -4.903 4.583 1.00 0.00 C ATOM 0 H VAL A 45 12.035 -7.026 7.436 1.00 0.00 H new ATOM 0 HA VAL A 45 9.672 -7.110 6.075 1.00 0.00 H new ATOM 0 HB VAL A 45 10.959 -5.058 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.838 -4.388 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.197 -5.878 6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.765 -5.966 4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.517 -3.857 4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.348 -5.413 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.187 -4.961 4.898 1.00 0.00 H new ATOM 712 N ALA A 46 9.889 -7.863 3.674 1.00 0.00 N ATOM 713 CA ALA A 46 9.966 -8.531 2.381 1.00 0.00 C ATOM 714 C ALA A 46 10.164 -7.524 1.254 1.00 0.00 C ATOM 715 O ALA A 46 10.820 -7.819 0.255 1.00 0.00 O ATOM 716 CB ALA A 46 8.711 -9.357 2.138 1.00 0.00 C ATOM 0 H ALA A 46 8.971 -7.479 3.896 1.00 0.00 H new ATOM 0 HA ALA A 46 10.829 -9.196 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.782 -9.850 1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.613 -10.109 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.838 -8.704 2.150 1.00 0.00 H new ATOM 722 N GLN A 47 9.594 -6.335 1.421 1.00 0.00 N ATOM 723 CA GLN A 47 9.707 -5.285 0.415 1.00 0.00 C ATOM 724 C GLN A 47 9.741 -3.908 1.068 1.00 0.00 C ATOM 725 O GLN A 47 9.375 -3.754 2.233 1.00 0.00 O ATOM 726 CB GLN A 47 8.542 -5.367 -0.572 1.00 0.00 C ATOM 727 CG GLN A 47 8.098 -6.789 -0.873 1.00 0.00 C ATOM 728 CD GLN A 47 7.440 -6.920 -2.232 1.00 0.00 C ATOM 729 OE1 GLN A 47 8.114 -7.114 -3.244 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.117 -6.815 -2.263 1.00 0.00 N ATOM 0 H GLN A 47 9.049 -6.075 2.243 1.00 0.00 H new ATOM 0 HA GLN A 47 10.642 -5.433 -0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.696 -4.809 -0.170 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.831 -4.881 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.961 -7.453 -0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.401 -7.118 -0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.598 -6.654 -1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.620 -6.895 -3.150 1.00 0.00 H new ATOM 739 N GLN A 48 10.182 -2.909 0.310 1.00 0.00 N ATOM 740 CA GLN A 48 10.263 -1.544 0.816 1.00 0.00 C ATOM 741 C GLN A 48 8.879 -1.011 1.169 1.00 0.00 C ATOM 742 O GLN A 48 7.856 -1.517 0.708 1.00 0.00 O ATOM 743 CB GLN A 48 10.925 -0.633 -0.219 1.00 0.00 C ATOM 744 CG GLN A 48 12.439 -0.567 -0.091 1.00 0.00 C ATOM 745 CD GLN A 48 13.102 0.026 -1.319 1.00 0.00 C ATOM 746 OE1 GLN A 48 12.623 1.009 -1.885 1.00 0.00 O ATOM 747 NE2 GLN A 48 14.212 -0.570 -1.738 1.00 0.00 N ATOM 0 H GLN A 48 10.489 -3.019 -0.657 1.00 0.00 H new ATOM 0 HA GLN A 48 10.870 -1.554 1.722 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.668 -0.985 -1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.516 0.373 -0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.701 0.030 0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.830 -1.570 0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.574 -1.382 -1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.703 -0.215 -2.559 1.00 0.00 H new ATOM 756 N PRO A 49 8.844 0.036 2.007 1.00 0.00 N ATOM 757 CA PRO A 49 7.591 0.661 2.441 1.00 0.00 C ATOM 758 C PRO A 49 6.899 1.417 1.312 1.00 0.00 C ATOM 759 O PRO A 49 7.517 1.738 0.296 1.00 0.00 O ATOM 760 CB PRO A 49 8.038 1.630 3.537 1.00 0.00 C ATOM 761 CG PRO A 49 9.459 1.940 3.212 1.00 0.00 C ATOM 762 CD PRO A 49 10.024 0.690 2.596 1.00 0.00 C ATOM 0 HA PRO A 49 6.863 -0.077 2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.427 2.533 3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.947 1.179 4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.527 2.781 2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.013 2.218 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.776 0.919 1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.504 0.056 3.342 1.00 0.00 H new ATOM 770 N LEU A 50 5.613 1.698 1.495 1.00 0.00 N ATOM 771 CA LEU A 50 4.837 2.418 0.491 1.00 0.00 C ATOM 772 C LEU A 50 4.294 3.726 1.057 1.00 0.00 C ATOM 773 O LEU A 50 3.744 3.756 2.158 1.00 0.00 O ATOM 774 CB LEU A 50 3.683 1.547 -0.010 1.00 0.00 C ATOM 775 CG LEU A 50 4.004 0.616 -1.180 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.728 0.010 -1.744 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.766 1.364 -2.263 1.00 0.00 C ATOM 0 H LEU A 50 5.086 1.438 2.329 1.00 0.00 H new ATOM 0 HA LEU A 50 5.497 2.652 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.323 0.942 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.863 2.201 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 50 4.635 -0.193 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.975 -0.650 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.222 -0.561 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.071 0.806 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.986 0.686 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.160 2.194 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.699 1.749 -1.851 1.00 0.00 H new ATOM 789 N SER A 51 4.450 4.804 0.297 1.00 0.00 N ATOM 790 CA SER A 51 3.976 6.116 0.723 1.00 0.00 C ATOM 791 C SER A 51 2.537 6.346 0.273 1.00 0.00 C ATOM 792 O SER A 51 2.287 7.015 -0.731 1.00 0.00 O ATOM 793 CB SER A 51 4.880 7.215 0.162 1.00 0.00 C ATOM 794 OG SER A 51 4.770 7.295 -1.249 1.00 0.00 O ATOM 0 H SER A 51 4.901 4.795 -0.618 1.00 0.00 H new ATOM 0 HA SER A 51 4.007 6.150 1.812 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.611 8.173 0.606 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.915 7.015 0.438 1.00 0.00 H new ATOM 0 HG SER A 51 3.824 7.345 -1.501 1.00 0.00 H new ATOM 800 N LEU A 52 1.593 5.788 1.023 1.00 0.00 N ATOM 801 CA LEU A 52 0.177 5.932 0.704 1.00 0.00 C ATOM 802 C LEU A 52 -0.189 7.398 0.500 1.00 0.00 C ATOM 803 O LEU A 52 -0.933 7.741 -0.419 1.00 0.00 O ATOM 804 CB LEU A 52 -0.681 5.330 1.818 1.00 0.00 C ATOM 805 CG LEU A 52 -0.402 3.868 2.166 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.208 3.445 3.384 1.00 0.00 C ATOM 807 CD2 LEU A 52 -0.714 2.968 0.979 1.00 0.00 C ATOM 0 H LEU A 52 1.783 5.231 1.856 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.017 5.396 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.544 5.929 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.729 5.421 1.531 1.00 0.00 H new ATOM 0 HG LEU A 52 0.657 3.768 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.996 2.401 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.935 4.069 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.271 3.561 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.509 1.931 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.765 3.073 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.091 3.255 0.131 1.00 0.00 H new ATOM 819 N VAL A 53 0.340 8.261 1.361 1.00 0.00 N ATOM 820 CA VAL A 53 0.072 9.691 1.274 1.00 0.00 C ATOM 821 C VAL A 53 0.207 10.189 -0.161 1.00 0.00 C ATOM 822 O VAL A 53 1.314 10.325 -0.680 1.00 0.00 O ATOM 823 CB VAL A 53 1.025 10.497 2.177 1.00 0.00 C ATOM 824 CG1 VAL A 53 0.705 11.982 2.100 1.00 0.00 C ATOM 825 CG2 VAL A 53 0.945 10.000 3.613 1.00 0.00 C ATOM 0 H VAL A 53 0.957 7.994 2.128 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.953 9.842 1.613 1.00 0.00 H new ATOM 0 HB VAL A 53 2.045 10.351 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.388 12.535 2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.817 12.326 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.320 12.151 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.625 10.580 4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.074 10.115 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.227 8.948 3.650 1.00 0.00 H new ATOM 835 N GLY A 54 -0.929 10.460 -0.797 1.00 0.00 N ATOM 836 CA GLY A 54 -0.915 10.940 -2.166 1.00 0.00 C ATOM 837 C GLY A 54 -1.491 9.931 -3.140 1.00 0.00 C ATOM 838 O GLY A 54 -2.135 10.304 -4.122 1.00 0.00 O ATOM 0 H GLY A 54 -1.858 10.356 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.485 11.867 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.109 11.175 -2.455 1.00 0.00 H new ATOM 842 N CYS A 55 -1.259 8.652 -2.870 1.00 0.00 N ATOM 843 CA CYS A 55 -1.757 7.586 -3.731 1.00 0.00 C ATOM 844 C CYS A 55 -3.279 7.501 -3.666 1.00 0.00 C ATOM 845 O CYS A 55 -3.916 8.200 -2.879 1.00 0.00 O ATOM 846 CB CYS A 55 -1.142 6.245 -3.328 1.00 0.00 C ATOM 847 SG CYS A 55 0.599 6.347 -2.851 1.00 0.00 S ATOM 0 H CYS A 55 -0.729 8.328 -2.061 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.467 7.816 -4.756 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.712 5.831 -2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.240 5.548 -4.160 1.00 0.00 H new ATOM 0 HG CYS A 55 0.715 7.089 -1.790 1.00 0.00 H new ATOM 853 N GLU A 56 -3.855 6.640 -4.501 1.00 0.00 N ATOM 854 CA GLU A 56 -5.302 6.466 -4.539 1.00 0.00 C ATOM 855 C GLU A 56 -5.669 4.990 -4.660 1.00 0.00 C ATOM 856 O GLU A 56 -5.220 4.300 -5.576 1.00 0.00 O ATOM 857 CB GLU A 56 -5.901 7.250 -5.708 1.00 0.00 C ATOM 858 CG GLU A 56 -7.359 6.919 -5.980 1.00 0.00 C ATOM 859 CD GLU A 56 -7.987 7.844 -7.004 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.320 8.150 -8.015 1.00 0.00 O ATOM 861 OE2 GLU A 56 -9.145 8.261 -6.795 1.00 0.00 O ATOM 0 H GLU A 56 -3.342 6.053 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.714 6.849 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.812 8.317 -5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.318 7.048 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.434 5.890 -6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.921 6.980 -5.048 1.00 0.00 H new ATOM 868 N VAL A 57 -6.489 4.512 -3.729 1.00 0.00 N ATOM 869 CA VAL A 57 -6.918 3.119 -3.731 1.00 0.00 C ATOM 870 C VAL A 57 -8.188 2.936 -4.555 1.00 0.00 C ATOM 871 O VAL A 57 -9.198 3.597 -4.315 1.00 0.00 O ATOM 872 CB VAL A 57 -7.170 2.607 -2.301 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.521 1.127 -2.317 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.955 2.865 -1.421 1.00 0.00 C ATOM 0 H VAL A 57 -6.869 5.069 -2.964 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.110 2.540 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.016 3.152 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.696 0.783 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.422 0.973 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.697 0.562 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.150 2.497 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.090 2.348 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.754 3.936 -1.383 1.00 0.00 H new ATOM 884 N VAL A 58 -8.130 2.032 -5.529 1.00 0.00 N ATOM 885 CA VAL A 58 -9.275 1.760 -6.389 1.00 0.00 C ATOM 886 C VAL A 58 -9.598 0.271 -6.420 1.00 0.00 C ATOM 887 O VAL A 58 -8.714 -0.579 -6.538 1.00 0.00 O ATOM 888 CB VAL A 58 -9.026 2.250 -7.828 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.366 3.727 -7.955 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.584 1.989 -8.237 1.00 0.00 C ATOM 0 H VAL A 58 -7.302 1.476 -5.742 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.121 2.304 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.677 1.693 -8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.184 4.056 -8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.416 3.881 -7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.742 4.304 -7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.425 2.341 -9.256 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.913 2.519 -7.561 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.379 0.920 -8.187 1.00 0.00 H new ATOM 900 N PRO A 59 -10.894 -0.057 -6.311 1.00 0.00 N ATOM 901 CA PRO A 59 -11.364 -1.445 -6.325 1.00 0.00 C ATOM 902 C PRO A 59 -11.213 -2.094 -7.697 1.00 0.00 C ATOM 903 O PRO A 59 -12.115 -2.019 -8.532 1.00 0.00 O ATOM 904 CB PRO A 59 -12.843 -1.323 -5.951 1.00 0.00 C ATOM 905 CG PRO A 59 -13.226 0.055 -6.367 1.00 0.00 C ATOM 906 CD PRO A 59 -12.001 0.904 -6.168 1.00 0.00 C ATOM 0 HA PRO A 59 -10.790 -2.077 -5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.444 -2.073 -6.464 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.994 -1.470 -4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.548 0.073 -7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.059 0.426 -5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.940 1.701 -6.909 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.996 1.379 -5.187 1.00 0.00 H new ATOM 914 N ASP A 60 -10.070 -2.731 -7.922 1.00 0.00 N ATOM 915 CA ASP A 60 -9.802 -3.395 -9.193 1.00 0.00 C ATOM 916 C ASP A 60 -9.879 -4.911 -9.041 1.00 0.00 C ATOM 917 O ASP A 60 -8.865 -5.607 -8.991 1.00 0.00 O ATOM 918 CB ASP A 60 -8.424 -2.993 -9.723 1.00 0.00 C ATOM 919 CG ASP A 60 -8.342 -3.067 -11.235 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.074 -3.884 -11.829 1.00 0.00 O ATOM 921 OD2 ASP A 60 -7.544 -2.307 -11.823 1.00 0.00 O ATOM 0 H ASP A 60 -9.314 -2.802 -7.241 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.563 -3.080 -9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.195 -1.978 -9.399 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.666 -3.645 -9.288 1.00 0.00 H new ATOM 926 N PRO A 61 -11.111 -5.436 -8.963 1.00 0.00 N ATOM 927 CA PRO A 61 -11.351 -6.875 -8.815 1.00 0.00 C ATOM 928 C PRO A 61 -10.991 -7.655 -10.074 1.00 0.00 C ATOM 929 O PRO A 61 -10.629 -7.071 -11.096 1.00 0.00 O ATOM 930 CB PRO A 61 -12.855 -6.958 -8.546 1.00 0.00 C ATOM 931 CG PRO A 61 -13.420 -5.727 -9.167 1.00 0.00 C ATOM 932 CD PRO A 61 -12.365 -4.666 -9.015 1.00 0.00 C ATOM 0 HA PRO A 61 -10.739 -7.311 -8.026 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.287 -7.857 -8.986 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.064 -6.994 -7.477 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.658 -5.894 -10.218 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.346 -5.431 -8.674 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.373 -3.968 -9.852 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.514 -4.079 -8.109 1.00 0.00 H new ATOM 940 N SER A 62 -11.093 -8.978 -9.995 1.00 0.00 N ATOM 941 CA SER A 62 -10.775 -9.839 -11.128 1.00 0.00 C ATOM 942 C SER A 62 -11.828 -10.930 -11.294 1.00 0.00 C ATOM 943 O SER A 62 -12.658 -11.166 -10.416 1.00 0.00 O ATOM 944 CB SER A 62 -9.394 -10.472 -10.943 1.00 0.00 C ATOM 945 OG SER A 62 -9.007 -10.463 -9.579 1.00 0.00 O ATOM 0 H SER A 62 -11.394 -9.477 -9.158 1.00 0.00 H new ATOM 0 HA SER A 62 -10.768 -9.225 -12.028 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.408 -11.497 -11.314 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.659 -9.928 -11.536 1.00 0.00 H new ATOM 0 HG SER A 62 -8.122 -10.874 -9.487 1.00 0.00 H new ATOM 951 N PRO A 63 -11.795 -11.612 -12.448 1.00 0.00 N ATOM 952 CA PRO A 63 -12.740 -12.690 -12.758 1.00 0.00 C ATOM 953 C PRO A 63 -12.503 -13.931 -11.904 1.00 0.00 C ATOM 954 O PRO A 63 -13.152 -14.960 -12.094 1.00 0.00 O ATOM 955 CB PRO A 63 -12.460 -12.994 -14.232 1.00 0.00 C ATOM 956 CG PRO A 63 -11.050 -12.565 -14.446 1.00 0.00 C ATOM 957 CD PRO A 63 -10.833 -11.385 -13.539 1.00 0.00 C ATOM 0 HA PRO A 63 -13.771 -12.399 -12.557 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.588 -14.054 -14.449 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.143 -12.450 -14.885 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.357 -13.372 -14.209 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.879 -12.293 -15.488 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.808 -11.345 -13.169 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.023 -10.443 -14.053 1.00 0.00 H new ATOM 965 N ASP A 64 -11.571 -13.827 -10.963 1.00 0.00 N ATOM 966 CA ASP A 64 -11.250 -14.941 -10.078 1.00 0.00 C ATOM 967 C ASP A 64 -11.329 -14.514 -8.616 1.00 0.00 C ATOM 968 O ASP A 64 -11.228 -15.343 -7.710 1.00 0.00 O ATOM 969 CB ASP A 64 -9.854 -15.482 -10.391 1.00 0.00 C ATOM 970 CG ASP A 64 -9.871 -16.533 -11.484 1.00 0.00 C ATOM 971 OD1 ASP A 64 -10.858 -17.294 -11.559 1.00 0.00 O ATOM 972 OD2 ASP A 64 -8.897 -16.594 -12.263 1.00 0.00 O ATOM 0 H ASP A 64 -11.024 -12.983 -10.793 1.00 0.00 H new ATOM 0 HA ASP A 64 -11.983 -15.730 -10.246 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.208 -14.658 -10.694 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.422 -15.910 -9.486 1.00 0.00 H new ATOM 977 N HIS A 65 -11.508 -13.216 -8.393 1.00 0.00 N ATOM 978 CA HIS A 65 -11.599 -12.679 -7.040 1.00 0.00 C ATOM 979 C HIS A 65 -12.078 -11.230 -7.062 1.00 0.00 C ATOM 980 O HIS A 65 -11.325 -10.322 -7.415 1.00 0.00 O ATOM 981 CB HIS A 65 -10.242 -12.769 -6.340 1.00 0.00 C ATOM 982 CG HIS A 65 -10.036 -14.052 -5.596 1.00 0.00 C ATOM 983 ND1 HIS A 65 -9.275 -15.132 -5.888 1.00 0.00 N flip ATOM 984 CD2 HIS A 65 -10.656 -14.335 -4.397 1.00 0.00 C flip ATOM 985 CE1 HIS A 65 -9.445 -16.038 -4.871 1.00 0.00 C flip ATOM 986 NE2 HIS A 65 -10.283 -15.533 -3.983 1.00 0.00 N flip ATOM 0 H HIS A 65 -11.593 -12.517 -9.131 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.325 -13.275 -6.487 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.451 -12.658 -7.082 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.145 -11.936 -5.644 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.340 -13.680 -3.878 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.971 -17.006 -4.807 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -10.590 -15.990 -3.124 1.00 0.00 H new ATOM 995 N LEU A 66 -13.335 -11.022 -6.683 1.00 0.00 N ATOM 996 CA LEU A 66 -13.915 -9.684 -6.660 1.00 0.00 C ATOM 997 C LEU A 66 -13.571 -8.964 -5.361 1.00 0.00 C ATOM 998 O LEU A 66 -14.354 -8.156 -4.861 1.00 0.00 O ATOM 999 CB LEU A 66 -15.434 -9.763 -6.826 1.00 0.00 C ATOM 1000 CG LEU A 66 -15.945 -10.782 -7.845 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.327 -11.282 -7.452 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -15.974 -10.174 -9.240 1.00 0.00 C ATOM 0 H LEU A 66 -13.971 -11.763 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.494 -9.117 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.874 -9.997 -5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.800 -8.777 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.262 -11.631 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.675 -12.006 -8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.277 -11.756 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.021 -10.442 -7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.340 -10.914 -9.952 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.635 -9.307 -9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.968 -9.865 -9.523 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.394 -9.260 -4.820 1.00 0.00 N ATOM 1015 CA TYR A 67 -11.946 -8.641 -3.578 1.00 0.00 C ATOM 1016 C TYR A 67 -10.503 -8.162 -3.698 1.00 0.00 C ATOM 1017 O TYR A 67 -9.782 -8.071 -2.704 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.072 -9.629 -2.417 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.297 -10.512 -2.503 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.558 -9.967 -2.713 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.193 -11.891 -2.375 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.679 -10.770 -2.791 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.308 -12.702 -2.454 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.549 -12.137 -2.662 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.663 -12.940 -2.741 1.00 0.00 O ATOM 0 H TYR A 67 -11.733 -9.925 -5.222 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.582 -7.777 -3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.182 -10.258 -2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.100 -9.073 -1.480 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.663 -8.897 -2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.223 -12.337 -2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.652 -10.330 -2.952 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.209 -13.773 -2.353 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.399 -13.877 -2.631 1.00 0.00 H new ATOM 1035 N SER A 68 -10.088 -7.855 -4.923 1.00 0.00 N ATOM 1036 CA SER A 68 -8.730 -7.388 -5.176 1.00 0.00 C ATOM 1037 C SER A 68 -8.718 -5.892 -5.475 1.00 0.00 C ATOM 1038 O SER A 68 -9.451 -5.414 -6.341 1.00 0.00 O ATOM 1039 CB SER A 68 -8.112 -8.159 -6.344 1.00 0.00 C ATOM 1040 OG SER A 68 -9.104 -8.558 -7.274 1.00 0.00 O ATOM 0 H SER A 68 -10.673 -7.921 -5.756 1.00 0.00 H new ATOM 0 HA SER A 68 -8.137 -7.566 -4.279 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.371 -7.535 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.588 -9.037 -5.967 1.00 0.00 H new ATOM 0 HG SER A 68 -8.726 -9.216 -7.894 1.00 0.00 H new ATOM 1046 N PHE A 69 -7.878 -5.158 -4.753 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.769 -3.715 -4.939 1.00 0.00 C ATOM 1048 C PHE A 69 -6.327 -3.312 -5.230 1.00 0.00 C ATOM 1049 O PHE A 69 -5.388 -4.027 -4.878 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.277 -2.980 -3.697 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.760 -3.552 -2.408 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.363 -4.662 -1.837 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.672 -2.982 -1.768 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.890 -5.190 -0.651 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.194 -3.507 -0.582 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.804 -4.613 -0.023 1.00 0.00 C ATOM 0 H PHE A 69 -7.263 -5.538 -4.034 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.384 -3.436 -5.794 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.987 -1.931 -3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.367 -3.010 -3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.212 -5.119 -2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.191 -2.117 -2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.370 -6.054 -0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.345 -3.053 -0.093 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.432 -5.026 0.903 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.159 -2.161 -5.874 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.831 -1.663 -6.213 1.00 0.00 C ATOM 1068 C ARG A 70 -4.752 -0.152 -6.017 1.00 0.00 C ATOM 1069 O ARG A 70 -5.768 0.543 -6.048 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.484 -2.019 -7.660 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.533 -1.573 -8.665 1.00 0.00 C ATOM 1072 CD ARG A 70 -4.926 -1.345 -10.041 1.00 0.00 C ATOM 1073 NE ARG A 70 -5.665 -0.345 -10.807 1.00 0.00 N ATOM 1074 CZ ARG A 70 -5.659 -0.284 -12.134 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -4.956 -1.160 -12.838 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -6.357 0.655 -12.759 1.00 0.00 N ATOM 0 H ARG A 70 -6.925 -1.557 -6.171 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.111 -2.137 -5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.528 -1.563 -7.918 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.354 -3.098 -7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.317 -2.327 -8.733 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.004 -0.654 -8.317 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.890 -1.025 -9.931 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.912 -2.286 -10.591 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.216 0.344 -10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.418 -1.883 -12.361 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.953 -1.111 -13.857 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.899 1.331 -12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.352 0.701 -13.778 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.538 0.350 -5.814 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.326 1.778 -5.612 1.00 0.00 C ATOM 1092 C ILE A 71 -2.708 2.421 -6.849 1.00 0.00 C ATOM 1093 O ILE A 71 -2.025 1.759 -7.632 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.417 2.047 -4.399 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.513 0.894 -3.397 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.792 3.364 -3.737 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.501 0.983 -2.276 1.00 0.00 C ATOM 0 H ILE A 71 -2.687 -0.211 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.305 2.219 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.386 2.118 -4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.516 0.877 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.375 -0.049 -3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.140 3.540 -2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.677 4.177 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.828 3.320 -3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.627 0.134 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.494 0.970 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.652 1.910 -1.722 1.00 0.00 H new ATOM 1109 N LEU A 72 -2.951 3.716 -7.019 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.417 4.452 -8.160 1.00 0.00 C ATOM 1111 C LEU A 72 -1.924 5.831 -7.737 1.00 0.00 C ATOM 1112 O LEU A 72 -2.424 6.412 -6.773 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.484 4.590 -9.248 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.102 3.286 -9.751 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.547 3.507 -10.170 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.290 2.723 -10.909 1.00 0.00 C ATOM 0 H LEU A 72 -3.514 4.278 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.571 3.891 -8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.284 5.224 -8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.043 5.111 -10.098 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.088 2.562 -8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.971 2.568 -10.525 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.123 3.865 -9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.585 4.247 -10.969 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.744 1.794 -11.255 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.273 3.444 -11.726 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.271 2.526 -10.577 1.00 0.00 H new ATOM 1128 N HIS A 73 -0.940 6.352 -8.464 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.381 7.665 -8.165 1.00 0.00 C ATOM 1130 C HIS A 73 -0.443 8.574 -9.389 1.00 0.00 C ATOM 1131 O HIS A 73 0.534 8.708 -10.126 1.00 0.00 O ATOM 1132 CB HIS A 73 1.066 7.531 -7.688 1.00 0.00 C ATOM 1133 CG HIS A 73 1.609 8.779 -7.064 1.00 0.00 C ATOM 1134 ND1 HIS A 73 2.137 9.820 -7.800 1.00 0.00 N ATOM 1135 CD2 HIS A 73 1.704 9.152 -5.767 1.00 0.00 C ATOM 1136 CE1 HIS A 73 2.534 10.778 -6.981 1.00 0.00 C ATOM 1137 NE2 HIS A 73 2.282 10.398 -5.742 1.00 0.00 N ATOM 0 H HIS A 73 -0.514 5.885 -9.264 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.977 8.113 -7.370 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.128 6.717 -6.966 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.695 7.255 -8.534 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.385 8.577 -4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.988 11.713 -7.275 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.484 10.941 -4.903 1.00 0.00 H new ATOM 1146 N LYS A 74 -1.598 9.194 -9.601 1.00 0.00 N ATOM 1147 CA LYS A 74 -1.789 10.090 -10.736 1.00 0.00 C ATOM 1148 C LYS A 74 -1.942 9.302 -12.032 1.00 0.00 C ATOM 1149 O LYS A 74 -1.599 9.787 -13.109 1.00 0.00 O ATOM 1150 CB LYS A 74 -0.609 11.058 -10.852 1.00 0.00 C ATOM 1151 CG LYS A 74 -0.133 11.600 -9.515 1.00 0.00 C ATOM 1152 CD LYS A 74 0.448 12.997 -9.654 1.00 0.00 C ATOM 1153 CE LYS A 74 1.878 12.956 -10.172 1.00 0.00 C ATOM 1154 NZ LYS A 74 2.588 14.245 -9.943 1.00 0.00 N ATOM 0 H LYS A 74 -2.417 9.093 -9.002 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.703 10.659 -10.567 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.220 10.550 -11.344 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.896 11.893 -11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.966 11.620 -8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.620 10.932 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.170 13.583 -10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.424 13.500 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.420 12.150 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.872 12.729 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.559 14.177 -10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.085 15.011 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.617 14.449 -8.924 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.463 8.083 -11.921 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.654 7.248 -13.092 1.00 0.00 C ATOM 1170 C GLY A 75 -1.606 6.158 -13.204 1.00 0.00 C ATOM 1171 O GLY A 75 -1.709 5.276 -14.056 1.00 0.00 O ATOM 0 H GLY A 75 -2.756 7.659 -11.041 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.644 6.793 -13.053 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.624 7.870 -13.987 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.596 6.219 -12.342 1.00 0.00 N ATOM 1176 CA GLU A 76 0.476 5.231 -12.351 1.00 0.00 C ATOM 1177 C GLU A 76 0.175 4.094 -11.378 1.00 0.00 C ATOM 1178 O GLU A 76 -0.610 4.255 -10.444 1.00 0.00 O ATOM 1179 CB GLU A 76 1.809 5.887 -11.988 1.00 0.00 C ATOM 1180 CG GLU A 76 2.579 6.407 -13.190 1.00 0.00 C ATOM 1181 CD GLU A 76 2.043 7.732 -13.698 1.00 0.00 C ATOM 1182 OE1 GLU A 76 1.779 8.623 -12.863 1.00 0.00 O ATOM 1183 OE2 GLU A 76 1.887 7.878 -14.928 1.00 0.00 O ATOM 0 H GLU A 76 -0.498 6.942 -11.629 1.00 0.00 H new ATOM 0 HA GLU A 76 0.546 4.818 -13.357 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.623 6.713 -11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.427 5.164 -11.456 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.629 6.523 -12.922 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.535 5.670 -13.992 1.00 0.00 H new ATOM 1190 N GLU A 77 0.805 2.946 -11.605 1.00 0.00 N ATOM 1191 CA GLU A 77 0.604 1.782 -10.750 1.00 0.00 C ATOM 1192 C GLU A 77 1.640 1.744 -9.630 1.00 0.00 C ATOM 1193 O GLU A 77 2.837 1.902 -9.871 1.00 0.00 O ATOM 1194 CB GLU A 77 0.681 0.496 -11.574 1.00 0.00 C ATOM 1195 CG GLU A 77 0.629 -0.770 -10.735 1.00 0.00 C ATOM 1196 CD GLU A 77 1.121 -1.990 -11.488 1.00 0.00 C ATOM 1197 OE1 GLU A 77 0.960 -2.027 -12.726 1.00 0.00 O ATOM 1198 OE2 GLU A 77 1.665 -2.908 -10.840 1.00 0.00 O ATOM 0 H GLU A 77 1.459 2.797 -12.374 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.387 1.859 -10.303 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.142 0.482 -12.288 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.605 0.500 -12.153 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.234 -0.632 -9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.396 -0.940 -10.405 1.00 0.00 H new ATOM 1205 N LEU A 78 1.170 1.535 -8.405 1.00 0.00 N ATOM 1206 CA LEU A 78 2.055 1.476 -7.246 1.00 0.00 C ATOM 1207 C LEU A 78 2.108 0.064 -6.672 1.00 0.00 C ATOM 1208 O LEU A 78 3.186 -0.475 -6.423 1.00 0.00 O ATOM 1209 CB LEU A 78 1.586 2.459 -6.172 1.00 0.00 C ATOM 1210 CG LEU A 78 1.246 3.869 -6.654 1.00 0.00 C ATOM 1211 CD1 LEU A 78 0.144 4.475 -5.799 1.00 0.00 C ATOM 1212 CD2 LEU A 78 2.485 4.752 -6.635 1.00 0.00 C ATOM 0 H LEU A 78 0.182 1.404 -8.188 1.00 0.00 H new ATOM 0 HA LEU A 78 3.058 1.753 -7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.705 2.041 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.364 2.534 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 78 0.886 3.804 -7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.084 5.479 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.750 3.854 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.475 4.527 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.224 5.752 -6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.875 4.810 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.245 4.327 -7.291 1.00 0.00 H new ATOM 1224 N ALA A 79 0.937 -0.530 -6.466 1.00 0.00 N ATOM 1225 CA ALA A 79 0.850 -1.881 -5.926 1.00 0.00 C ATOM 1226 C ALA A 79 -0.548 -2.459 -6.116 1.00 0.00 C ATOM 1227 O ALA A 79 -1.442 -1.792 -6.637 1.00 0.00 O ATOM 1228 CB ALA A 79 1.230 -1.885 -4.452 1.00 0.00 C ATOM 0 H ALA A 79 0.035 -0.097 -6.665 1.00 0.00 H new ATOM 0 HA ALA A 79 1.552 -2.511 -6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.161 -2.900 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.251 -1.521 -4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.550 -1.236 -3.899 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.731 -3.704 -5.690 1.00 0.00 N ATOM 1235 CA LYS A 80 -2.021 -4.373 -5.811 1.00 0.00 C ATOM 1236 C LYS A 80 -2.189 -5.433 -4.728 1.00 0.00 C ATOM 1237 O LYS A 80 -1.421 -6.394 -4.660 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.156 -5.016 -7.194 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.533 -5.600 -7.460 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.881 -5.555 -8.939 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.187 -6.279 -9.226 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.337 -6.600 -10.673 1.00 0.00 N ATOM 0 H LYS A 80 -0.002 -4.271 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.804 -3.625 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.934 -4.269 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.410 -5.805 -7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.566 -6.631 -7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.280 -5.046 -6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.960 -4.518 -9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.077 -6.010 -9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.227 -7.200 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.024 -5.660 -8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.240 -7.093 -10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.324 -5.720 -11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.552 -7.212 -10.976 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.197 -5.253 -3.882 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.467 -6.196 -2.801 1.00 0.00 C ATOM 1258 C LEU A 81 -4.778 -6.937 -3.040 1.00 0.00 C ATOM 1259 O LEU A 81 -5.544 -6.589 -3.938 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.519 -5.462 -1.460 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.340 -4.538 -1.153 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.034 -5.169 -1.612 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.540 -3.182 -1.813 1.00 0.00 C ATOM 0 H LEU A 81 -3.841 -4.463 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.658 -6.926 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.435 -4.872 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.589 -6.204 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.289 -4.391 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.206 -4.497 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.885 -6.116 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.074 -5.346 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.692 -2.537 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.617 -3.311 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.455 -2.725 -1.436 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.030 -7.959 -2.228 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.250 -8.749 -2.351 1.00 0.00 C ATOM 1277 C GLU A 82 -6.740 -9.210 -0.982 1.00 0.00 C ATOM 1278 O GLU A 82 -5.944 -9.571 -0.115 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.011 -9.960 -3.254 1.00 0.00 C ATOM 1280 CG GLU A 82 -7.156 -10.959 -3.248 1.00 0.00 C ATOM 1281 CD GLU A 82 -8.083 -10.791 -4.436 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -7.694 -11.188 -5.554 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -9.199 -10.263 -4.247 1.00 0.00 O ATOM 0 H GLU A 82 -4.406 -8.259 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.018 -8.117 -2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.847 -9.615 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.098 -10.464 -2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.750 -11.971 -3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.728 -10.845 -2.327 1.00 0.00 H new ATOM 1290 N ALA A 83 -8.055 -9.196 -0.794 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.652 -9.614 0.468 1.00 0.00 C ATOM 1292 C ALA A 83 -9.204 -11.032 0.372 1.00 0.00 C ATOM 1293 O ALA A 83 -9.047 -11.702 -0.649 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.751 -8.645 0.879 1.00 0.00 C ATOM 0 H ALA A 83 -8.728 -8.899 -1.501 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.872 -9.607 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.188 -8.970 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.330 -7.647 0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.523 -8.624 0.110 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.849 -11.485 1.441 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.425 -12.824 1.477 1.00 0.00 C ATOM 1302 C LYS A 84 -11.918 -12.783 1.166 1.00 0.00 C ATOM 1303 O LYS A 84 -12.473 -13.732 0.612 1.00 0.00 O ATOM 1304 CB LYS A 84 -10.197 -13.462 2.849 1.00 0.00 C ATOM 1305 CG LYS A 84 -11.090 -12.897 3.940 1.00 0.00 C ATOM 1306 CD LYS A 84 -12.396 -13.665 4.045 1.00 0.00 C ATOM 1307 CE LYS A 84 -12.250 -14.894 4.929 1.00 0.00 C ATOM 1308 NZ LYS A 84 -11.843 -16.094 4.147 1.00 0.00 N ATOM 0 H LYS A 84 -9.986 -10.944 2.295 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.930 -13.426 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.366 -14.536 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.155 -13.323 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.567 -12.935 4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.300 -11.848 3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.171 -13.014 4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.722 -13.968 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.510 -14.698 5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.195 -15.093 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.225 -16.949 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.214 -16.019 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.805 -16.153 4.116 1.00 0.00 H new ATOM 1322 N SER A 85 -12.563 -11.677 1.525 1.00 0.00 N ATOM 1323 CA SER A 85 -13.992 -11.514 1.287 1.00 0.00 C ATOM 1324 C SER A 85 -14.321 -10.068 0.927 1.00 0.00 C ATOM 1325 O SER A 85 -13.526 -9.160 1.170 1.00 0.00 O ATOM 1326 CB SER A 85 -14.789 -11.938 2.522 1.00 0.00 C ATOM 1327 OG SER A 85 -14.476 -11.120 3.636 1.00 0.00 O ATOM 0 H SER A 85 -12.118 -10.881 1.982 1.00 0.00 H new ATOM 0 HA SER A 85 -14.270 -12.152 0.448 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.856 -11.875 2.309 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.572 -12.980 2.759 1.00 0.00 H new ATOM 0 HG SER A 85 -14.999 -11.410 4.412 1.00 0.00 H new ATOM 1333 N SER A 86 -15.499 -9.862 0.347 1.00 0.00 N ATOM 1334 CA SER A 86 -15.933 -8.528 -0.050 1.00 0.00 C ATOM 1335 C SER A 86 -15.856 -7.559 1.126 1.00 0.00 C ATOM 1336 O SER A 86 -15.502 -6.392 0.960 1.00 0.00 O ATOM 1337 CB SER A 86 -17.362 -8.574 -0.594 1.00 0.00 C ATOM 1338 OG SER A 86 -17.830 -7.274 -0.909 1.00 0.00 O ATOM 0 H SER A 86 -16.170 -10.602 0.142 1.00 0.00 H new ATOM 0 HA SER A 86 -15.264 -8.174 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.395 -9.202 -1.485 1.00 0.00 H new ATOM 0 HB3 SER A 86 -18.021 -9.032 0.144 1.00 0.00 H new ATOM 0 HG SER A 86 -18.745 -7.331 -1.256 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.190 -8.053 2.314 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.160 -7.231 3.518 1.00 0.00 C ATOM 1346 C GLU A 87 -14.732 -6.807 3.852 1.00 0.00 C ATOM 1347 O GLU A 87 -14.480 -5.650 4.184 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.767 -7.993 4.698 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.276 -7.854 4.801 1.00 0.00 C ATOM 1350 CD GLU A 87 -18.983 -8.190 3.502 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -19.055 -7.309 2.621 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -19.463 -9.335 3.368 1.00 0.00 O ATOM 0 H GLU A 87 -16.484 -9.017 2.468 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.752 -6.335 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.513 -9.049 4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.314 -7.635 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.644 -8.509 5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.524 -6.833 5.092 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.804 -7.755 3.762 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.402 -7.480 4.056 1.00 0.00 C ATOM 1361 C GLU A 88 -11.872 -6.353 3.174 1.00 0.00 C ATOM 1362 O GLU A 88 -11.321 -5.371 3.668 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.559 -8.741 3.854 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.348 -8.816 4.768 1.00 0.00 C ATOM 1365 CD GLU A 88 -10.645 -9.529 6.073 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -11.757 -9.345 6.611 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -9.766 -10.273 6.556 1.00 0.00 O ATOM 0 H GLU A 88 -13.997 -8.718 3.488 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.330 -7.167 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.185 -9.617 4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.224 -8.782 2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.539 -9.333 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.996 -7.807 4.982 1.00 0.00 H new ATOM 1374 N MET A 89 -12.043 -6.505 1.865 1.00 0.00 N ATOM 1375 CA MET A 89 -11.583 -5.500 0.913 1.00 0.00 C ATOM 1376 C MET A 89 -12.202 -4.140 1.216 1.00 0.00 C ATOM 1377 O MET A 89 -11.588 -3.101 0.979 1.00 0.00 O ATOM 1378 CB MET A 89 -11.928 -5.924 -0.516 1.00 0.00 C ATOM 1379 CG MET A 89 -13.416 -5.872 -0.822 1.00 0.00 C ATOM 1380 SD MET A 89 -13.757 -5.627 -2.575 1.00 0.00 S ATOM 1381 CE MET A 89 -12.866 -4.103 -2.883 1.00 0.00 C ATOM 0 H MET A 89 -12.496 -7.314 1.439 1.00 0.00 H new ATOM 0 HA MET A 89 -10.500 -5.415 1.007 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.399 -5.278 -1.216 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.566 -6.939 -0.683 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.883 -6.799 -0.491 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.872 -5.064 -0.251 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.475 -3.444 -3.502 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.648 -3.611 -1.935 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.932 -4.325 -3.400 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.423 -4.154 1.743 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.104 -2.915 2.069 1.00 0.00 C ATOM 1393 C GLY A 90 -13.473 -2.198 3.246 1.00 0.00 C ATOM 1394 O GLY A 90 -13.593 -0.980 3.378 1.00 0.00 O ATOM 0 H GLY A 90 -13.952 -5.001 1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.093 -2.258 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.149 -3.127 2.295 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.798 -2.956 4.105 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.146 -2.385 5.278 1.00 0.00 C ATOM 1400 C HIS A 91 -10.800 -1.771 4.907 1.00 0.00 C ATOM 1401 O HIS A 91 -10.348 -0.815 5.537 1.00 0.00 O ATOM 1402 CB HIS A 91 -11.952 -3.457 6.352 1.00 0.00 C ATOM 1403 CG HIS A 91 -10.926 -3.094 7.381 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.192 -2.264 8.449 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.627 -3.457 7.502 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.101 -2.129 9.182 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.137 -2.843 8.629 1.00 0.00 N ATOM 0 H HIS A 91 -12.689 -3.966 4.011 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.788 -1.597 5.672 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.905 -3.638 6.849 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.659 -4.391 5.873 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.079 -4.108 6.837 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.012 -1.536 10.080 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.183 -2.925 8.982 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.164 -2.327 3.882 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.869 -1.834 3.427 1.00 0.00 C ATOM 1418 C TRP A 92 -9.040 -0.680 2.446 1.00 0.00 C ATOM 1419 O TRP A 92 -8.254 0.268 2.445 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.072 -2.964 2.772 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.348 -3.829 3.758 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.804 -4.986 4.323 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.040 -3.606 4.295 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -6.858 -5.495 5.180 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.766 -4.667 5.180 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.072 -2.614 4.114 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.567 -4.762 5.880 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -3.882 -2.709 4.810 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.637 -3.777 5.684 1.00 0.00 C ATOM 0 H TRP A 92 -10.524 -3.119 3.350 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.321 -1.469 4.296 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.750 -3.584 2.185 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.350 -2.534 2.077 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.766 -5.435 4.125 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.953 -6.350 5.727 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.251 -1.788 3.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.377 -5.584 6.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.128 -1.947 4.678 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.697 -3.824 6.213 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.070 -0.766 1.612 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.344 0.273 0.625 1.00 0.00 C ATOM 1442 C LEU A 93 -10.353 1.653 1.275 1.00 0.00 C ATOM 1443 O LEU A 93 -9.527 2.507 0.954 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.687 0.012 -0.061 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.644 -0.885 -1.298 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -13.009 -0.935 -1.968 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.586 -0.396 -2.276 1.00 0.00 C ATOM 0 H LEU A 93 -10.729 -1.544 1.599 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.550 0.248 -0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.363 -0.438 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.119 0.971 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.379 -1.894 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.960 -1.578 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.744 -1.333 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.303 0.070 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.570 -1.047 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.820 0.622 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.609 -0.413 -1.793 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.292 1.864 2.192 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.389 3.141 2.875 1.00 0.00 C ATOM 1461 C GLY A 94 -10.187 3.421 3.754 1.00 0.00 C ATOM 1462 O GLY A 94 -9.769 4.571 3.900 1.00 0.00 O ATOM 0 H GLY A 94 -11.987 1.173 2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.489 3.937 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.292 3.156 3.485 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.629 2.370 4.344 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.468 2.508 5.216 1.00 0.00 C ATOM 1468 C LEU A 95 -7.293 3.125 4.464 1.00 0.00 C ATOM 1469 O LEU A 95 -6.668 4.075 4.938 1.00 0.00 O ATOM 1470 CB LEU A 95 -8.066 1.145 5.783 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.688 1.072 6.441 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.788 1.390 7.925 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -6.068 -0.302 6.229 1.00 0.00 C ATOM 0 H LEU A 95 -9.962 1.412 4.234 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.738 3.171 6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.813 0.845 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.100 0.414 4.976 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.043 1.816 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.798 1.333 8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.189 2.395 8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.449 0.670 8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.088 -0.336 6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.711 -1.063 6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.961 -0.492 5.161 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.997 2.580 3.289 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.898 3.078 2.469 1.00 0.00 C ATOM 1487 C LEU A 96 -6.226 4.454 1.897 1.00 0.00 C ATOM 1488 O LEU A 96 -5.354 5.317 1.790 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.598 2.099 1.334 1.00 0.00 C ATOM 1490 CG LEU A 96 -5.080 0.723 1.753 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.320 -0.297 0.651 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.601 0.794 2.104 1.00 0.00 C ATOM 0 H LEU A 96 -7.503 1.793 2.883 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.016 3.169 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.508 1.960 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.862 2.556 0.672 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.629 0.405 2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.945 -1.270 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.389 -0.369 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.799 0.016 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.249 -0.194 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.037 1.135 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.456 1.492 2.928 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.488 4.651 1.532 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.932 5.923 0.972 1.00 0.00 C ATOM 1506 C LEU A 97 -7.615 7.076 1.920 1.00 0.00 C ATOM 1507 O LEU A 97 -7.023 8.077 1.519 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.434 5.881 0.688 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.848 5.241 -0.638 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -11.331 4.902 -0.627 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.520 6.165 -1.802 1.00 0.00 C ATOM 0 H LEU A 97 -8.222 3.947 1.614 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.396 6.087 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.922 5.339 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.817 6.901 0.711 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.285 4.316 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.607 4.448 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.538 4.203 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.911 5.813 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.821 5.693 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.056 7.107 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.447 6.358 -1.822 1.00 0.00 H new ATOM 1523 N SER A 98 -8.012 6.925 3.180 1.00 0.00 N ATOM 1524 CA SER A 98 -7.771 7.954 4.185 1.00 0.00 C ATOM 1525 C SER A 98 -6.279 8.101 4.466 1.00 0.00 C ATOM 1526 O SER A 98 -5.763 9.213 4.572 1.00 0.00 O ATOM 1527 CB SER A 98 -8.515 7.617 5.478 1.00 0.00 C ATOM 1528 OG SER A 98 -9.914 7.774 5.318 1.00 0.00 O ATOM 0 H SER A 98 -8.501 6.101 3.529 1.00 0.00 H new ATOM 0 HA SER A 98 -8.144 8.902 3.796 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.292 6.591 5.772 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.163 8.263 6.282 1.00 0.00 H new ATOM 0 HG SER A 98 -10.366 7.551 6.158 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.592 6.969 4.585 1.00 0.00 N ATOM 1535 CA GLU A 99 -4.159 6.971 4.855 1.00 0.00 C ATOM 1536 C GLU A 99 -3.390 7.625 3.711 1.00 0.00 C ATOM 1537 O GLU A 99 -2.336 8.225 3.920 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.656 5.542 5.070 1.00 0.00 C ATOM 1539 CG GLU A 99 -4.150 4.911 6.361 1.00 0.00 C ATOM 1540 CD GLU A 99 -4.317 3.408 6.249 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -4.218 2.883 5.119 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -4.547 2.756 7.289 1.00 0.00 O ATOM 0 H GLU A 99 -6.004 6.040 4.499 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.988 7.550 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.972 4.924 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.566 5.546 5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.447 5.136 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -5.104 5.359 6.638 1.00 0.00 H new ATOM 1549 N SER A 100 -3.927 7.505 2.500 1.00 0.00 N ATOM 1550 CA SER A 100 -3.290 8.080 1.321 1.00 0.00 C ATOM 1551 C SER A 100 -3.723 9.530 1.124 1.00 0.00 C ATOM 1552 O SER A 100 -4.017 9.955 0.007 1.00 0.00 O ATOM 1553 CB SER A 100 -3.635 7.259 0.078 1.00 0.00 C ATOM 1554 OG SER A 100 -5.025 7.309 -0.197 1.00 0.00 O ATOM 0 H SER A 100 -4.801 7.015 2.310 1.00 0.00 H new ATOM 0 HA SER A 100 -2.211 8.058 1.473 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.078 7.639 -0.778 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.327 6.224 0.225 1.00 0.00 H new ATOM 0 HG SER A 100 -5.502 7.649 0.589 1.00 0.00 H new ATOM 1560 N GLY A 101 -3.758 10.285 2.218 1.00 0.00 N ATOM 1561 CA GLY A 101 -4.155 11.679 2.144 1.00 0.00 C ATOM 1562 C GLY A 101 -5.360 11.892 1.249 1.00 0.00 C ATOM 1563 O GLY A 101 -5.254 12.516 0.193 1.00 0.00 O ATOM 0 H GLY A 101 -3.519 9.956 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.382 12.043 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.320 12.272 1.771 1.00 0.00 H new ATOM 1567 N SER A 102 -6.508 11.371 1.670 1.00 0.00 N ATOM 1568 CA SER A 102 -7.737 11.503 0.896 1.00 0.00 C ATOM 1569 C SER A 102 -8.079 12.972 0.666 1.00 0.00 C ATOM 1570 O SER A 102 -8.129 13.438 -0.471 1.00 0.00 O ATOM 1571 CB SER A 102 -8.894 10.805 1.613 1.00 0.00 C ATOM 1572 OG SER A 102 -10.064 10.807 0.815 1.00 0.00 O ATOM 0 H SER A 102 -6.613 10.854 2.543 1.00 0.00 H new ATOM 0 HA SER A 102 -7.580 11.028 -0.072 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.613 9.779 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.095 11.307 2.560 1.00 0.00 H new ATOM 0 HG SER A 102 -10.788 10.354 1.295 1.00 0.00 H new ATOM 1578 N GLY A 103 -8.313 13.697 1.756 1.00 0.00 N ATOM 1579 CA GLY A 103 -8.648 15.105 1.653 1.00 0.00 C ATOM 1580 C GLY A 103 -10.138 15.337 1.505 1.00 0.00 C ATOM 1581 O GLY A 103 -10.923 15.072 2.416 1.00 0.00 O ATOM 0 H GLY A 103 -8.276 13.334 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.289 15.627 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.129 15.537 0.797 1.00 0.00 H new ATOM 1585 N PRO A 104 -10.549 15.847 0.334 1.00 0.00 N ATOM 1586 CA PRO A 104 -11.958 16.128 0.044 1.00 0.00 C ATOM 1587 C PRO A 104 -12.783 14.855 -0.110 1.00 0.00 C ATOM 1588 O PRO A 104 -12.533 14.046 -1.003 1.00 0.00 O ATOM 1589 CB PRO A 104 -11.901 16.891 -1.282 1.00 0.00 C ATOM 1590 CG PRO A 104 -10.632 16.446 -1.922 1.00 0.00 C ATOM 1591 CD PRO A 104 -9.669 16.188 -0.796 1.00 0.00 C ATOM 0 HA PRO A 104 -12.438 16.682 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -12.762 16.660 -1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.905 17.969 -1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -10.789 15.545 -2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -10.247 17.210 -2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -8.984 15.374 -1.032 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.059 17.065 -0.580 1.00 0.00 H new ATOM 1599 N SER A 105 -13.767 14.684 0.767 1.00 0.00 N ATOM 1600 CA SER A 105 -14.628 13.507 0.731 1.00 0.00 C ATOM 1601 C SER A 105 -16.023 13.869 0.231 1.00 0.00 C ATOM 1602 O SER A 105 -16.472 13.372 -0.802 1.00 0.00 O ATOM 1603 CB SER A 105 -14.720 12.874 2.120 1.00 0.00 C ATOM 1604 OG SER A 105 -13.431 12.621 2.652 1.00 0.00 O ATOM 0 H SER A 105 -13.988 15.345 1.511 1.00 0.00 H new ATOM 0 HA SER A 105 -14.189 12.787 0.040 1.00 0.00 H new ATOM 0 HB2 SER A 105 -15.269 13.536 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 105 -15.282 11.942 2.062 1.00 0.00 H new ATOM 0 HG SER A 105 -13.517 12.218 3.541 1.00 0.00 H new ATOM 1610 N SER A 106 -16.703 14.739 0.971 1.00 0.00 N ATOM 1611 CA SER A 106 -18.049 15.165 0.606 1.00 0.00 C ATOM 1612 C SER A 106 -18.032 15.962 -0.695 1.00 0.00 C ATOM 1613 O SER A 106 -17.090 16.705 -0.969 1.00 0.00 O ATOM 1614 CB SER A 106 -18.660 16.008 1.726 1.00 0.00 C ATOM 1615 OG SER A 106 -18.084 17.302 1.763 1.00 0.00 O ATOM 0 H SER A 106 -16.344 15.163 1.827 1.00 0.00 H new ATOM 0 HA SER A 106 -18.659 14.274 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 106 -19.737 16.090 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 106 -18.507 15.511 2.684 1.00 0.00 H new ATOM 0 HG SER A 106 -18.493 17.822 2.486 1.00 0.00 H new ATOM 1621 N GLY A 107 -19.082 15.802 -1.494 1.00 0.00 N ATOM 1622 CA GLY A 107 -19.170 16.512 -2.757 1.00 0.00 C ATOM 1623 C GLY A 107 -19.176 15.576 -3.949 1.00 0.00 C ATOM 1624 O GLY A 107 -19.416 16.001 -5.079 1.00 0.00 O ATOM 0 H GLY A 107 -19.874 15.193 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -20.078 17.116 -2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -18.329 17.200 -2.843 1.00 0.00 H new TER 1628 GLY A 107