USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 938 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 56 LYS NZ :NH3+ -115:sc= 0.405 (180deg=0) USER MOD Set 1.2: A 91 SER OG : rot 78:sc= 0.106 USER MOD Single : A 1 GLY N :NH3+ -146:sc= 0.0502 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0603 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= 0.69 K(o=0.69,f=-2.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 179:sc= -1.01 (180deg=-1.01) USER MOD Single : A 20 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.011) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.52) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0559 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0863 USER MOD Single : A 34 HIS : no HE2:sc= -0.686 X(o=-0.69,f=-0.55) USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0474) USER MOD Single : A 42 SER OG : rot -54:sc= 0.25 USER MOD Single : A 46 HIS : no HD1:sc= -0.0061 X(o=-0.0061,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.0895 X(o=-0.09,f=-0.38) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.0214 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.28 X(o=-1.3,f=-0.86) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -89:sc= 1.19 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.007 K(o=-0.007,f=-0.68) USER MOD Single : A 67 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=-0.0071) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0378 K(o=-0.038,f=-3!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.016 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.945 K(o=0.95,f=-3.9!) USER MOD Single : A 83 MET CE :methyl -173:sc= -0.254 (180deg=-0.435) USER MOD Single : A 92 HIS : no HE2:sc= -0.0256 X(o=-0.026,f=-0.45) USER MOD Single : A 93 TYR OH : rot -163:sc= 1.43 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.412 K(o=-0.41,f=-3.3) USER MOD Single : A 101 ASN : amide:sc= -0.498 K(o=-0.5,f=-8.5!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 71:sc= 1.52 USER MOD Single : A 115 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.038) USER MOD Single : A 116 THR OG1 : rot -68:sc= 0.483 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.928 -12.864 -10.841 1.00 0.00 N ATOM 2 CA GLY A 1 -7.740 -13.407 -10.174 1.00 0.00 C ATOM 3 C GLY A 1 -6.519 -12.907 -10.910 1.00 0.00 C ATOM 4 O GLY A 1 -6.474 -11.723 -11.236 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.668 -12.677 -10.134 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.680 -11.978 -11.325 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.280 -13.552 -11.537 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.711 -13.092 -9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.767 -14.497 -10.177 1.00 0.00 H new ATOM 8 N SER A 2 -5.610 -13.833 -11.224 1.00 0.00 N ATOM 9 CA SER A 2 -4.453 -13.804 -12.117 1.00 0.00 C ATOM 10 C SER A 2 -3.264 -14.423 -11.379 1.00 0.00 C ATOM 11 O SER A 2 -3.362 -14.703 -10.182 1.00 0.00 O ATOM 12 CB SER A 2 -4.134 -12.434 -12.741 1.00 0.00 C ATOM 13 OG SER A 2 -3.386 -12.621 -13.926 1.00 0.00 O ATOM 0 H SER A 2 -5.683 -14.754 -10.792 1.00 0.00 H new ATOM 0 HA SER A 2 -4.700 -14.400 -12.996 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.057 -11.898 -12.961 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.572 -11.823 -12.035 1.00 0.00 H new ATOM 0 HG SER A 2 -3.183 -11.750 -14.326 1.00 0.00 H new ATOM 19 N SER A 3 -2.173 -14.691 -12.107 1.00 0.00 N ATOM 20 CA SER A 3 -1.044 -15.495 -11.636 1.00 0.00 C ATOM 21 C SER A 3 -1.548 -16.777 -10.939 1.00 0.00 C ATOM 22 O SER A 3 -2.628 -17.258 -11.308 1.00 0.00 O ATOM 23 CB SER A 3 -0.126 -14.580 -10.811 1.00 0.00 C ATOM 24 OG SER A 3 0.412 -13.594 -11.679 1.00 0.00 O ATOM 0 H SER A 3 -2.050 -14.347 -13.059 1.00 0.00 H new ATOM 0 HA SER A 3 -0.432 -15.880 -12.452 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.685 -14.110 -10.002 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.675 -15.159 -10.351 1.00 0.00 H new ATOM 0 HG SER A 3 1.001 -12.997 -11.171 1.00 0.00 H new ATOM 30 N GLY A 4 -0.794 -17.370 -10.009 1.00 0.00 N ATOM 31 CA GLY A 4 -1.293 -18.456 -9.178 1.00 0.00 C ATOM 32 C GLY A 4 -0.164 -19.331 -8.653 1.00 0.00 C ATOM 33 O GLY A 4 0.190 -20.316 -9.306 1.00 0.00 O ATOM 0 H GLY A 4 0.173 -17.109 -9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.853 -18.044 -8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.987 -19.066 -9.756 1.00 0.00 H new ATOM 37 N SER A 5 0.413 -18.999 -7.497 1.00 0.00 N ATOM 38 CA SER A 5 1.448 -19.818 -6.879 1.00 0.00 C ATOM 39 C SER A 5 0.869 -21.102 -6.265 1.00 0.00 C ATOM 40 O SER A 5 -0.282 -21.136 -5.810 1.00 0.00 O ATOM 41 CB SER A 5 2.242 -18.979 -5.868 1.00 0.00 C ATOM 42 OG SER A 5 1.463 -18.024 -5.156 1.00 0.00 O ATOM 0 H SER A 5 0.176 -18.160 -6.968 1.00 0.00 H new ATOM 0 HA SER A 5 2.142 -20.150 -7.651 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.717 -19.649 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.041 -18.458 -6.395 1.00 0.00 H new ATOM 0 HG SER A 5 2.038 -17.532 -4.533 1.00 0.00 H new ATOM 48 N SER A 6 1.683 -22.152 -6.218 1.00 0.00 N ATOM 49 CA SER A 6 1.301 -23.525 -5.931 1.00 0.00 C ATOM 50 C SER A 6 1.937 -23.979 -4.617 1.00 0.00 C ATOM 51 O SER A 6 3.119 -23.727 -4.369 1.00 0.00 O ATOM 52 CB SER A 6 1.717 -24.439 -7.101 1.00 0.00 C ATOM 53 OG SER A 6 2.651 -23.836 -7.988 1.00 0.00 O ATOM 0 H SER A 6 2.684 -22.059 -6.390 1.00 0.00 H new ATOM 0 HA SER A 6 0.218 -23.587 -5.821 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.149 -25.356 -6.700 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.827 -24.725 -7.662 1.00 0.00 H new ATOM 0 HG SER A 6 2.875 -24.466 -8.705 1.00 0.00 H new ATOM 59 N GLY A 7 1.165 -24.677 -3.784 1.00 0.00 N ATOM 60 CA GLY A 7 1.599 -25.130 -2.466 1.00 0.00 C ATOM 61 C GLY A 7 1.590 -23.988 -1.449 1.00 0.00 C ATOM 62 O GLY A 7 1.402 -22.818 -1.810 1.00 0.00 O ATOM 0 H GLY A 7 0.208 -24.946 -4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.944 -25.930 -2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.603 -25.548 -2.536 1.00 0.00 H new ATOM 66 N HIS A 8 1.768 -24.316 -0.167 1.00 0.00 N ATOM 67 CA HIS A 8 1.841 -23.350 0.923 1.00 0.00 C ATOM 68 C HIS A 8 2.432 -24.006 2.174 1.00 0.00 C ATOM 69 O HIS A 8 1.994 -25.083 2.596 1.00 0.00 O ATOM 70 CB HIS A 8 0.445 -22.765 1.221 1.00 0.00 C ATOM 71 CG HIS A 8 -0.701 -23.756 1.286 1.00 0.00 C ATOM 72 ND1 HIS A 8 -0.693 -24.991 1.899 1.00 0.00 N ATOM 73 CD2 HIS A 8 -1.941 -23.588 0.730 1.00 0.00 C ATOM 74 CE1 HIS A 8 -1.899 -25.550 1.735 1.00 0.00 C ATOM 75 NE2 HIS A 8 -2.700 -24.724 1.035 1.00 0.00 N ATOM 0 H HIS A 8 1.867 -25.282 0.145 1.00 0.00 H new ATOM 0 HA HIS A 8 2.495 -22.532 0.621 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.493 -22.235 2.172 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.214 -22.025 0.455 1.00 0.00 H new ATOM 0 HD1 HIS A 8 0.096 -25.408 2.393 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.273 -22.733 0.159 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.187 -26.521 2.109 1.00 0.00 H new ATOM 83 N SER A 9 3.376 -23.335 2.825 1.00 0.00 N ATOM 84 CA SER A 9 3.780 -23.657 4.184 1.00 0.00 C ATOM 85 C SER A 9 4.294 -22.404 4.891 1.00 0.00 C ATOM 86 O SER A 9 4.691 -21.426 4.248 1.00 0.00 O ATOM 87 CB SER A 9 4.821 -24.782 4.172 1.00 0.00 C ATOM 88 OG SER A 9 5.938 -24.461 3.358 1.00 0.00 O ATOM 0 H SER A 9 3.884 -22.548 2.420 1.00 0.00 H new ATOM 0 HA SER A 9 2.917 -24.017 4.745 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.158 -24.976 5.190 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.359 -25.700 3.809 1.00 0.00 H new ATOM 0 HG SER A 9 6.580 -25.201 3.377 1.00 0.00 H new ATOM 94 N GLY A 10 4.306 -22.434 6.218 1.00 0.00 N ATOM 95 CA GLY A 10 4.758 -21.329 7.038 1.00 0.00 C ATOM 96 C GLY A 10 4.275 -21.561 8.454 1.00 0.00 C ATOM 97 O GLY A 10 3.073 -21.704 8.676 1.00 0.00 O ATOM 0 H GLY A 10 3.996 -23.242 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.845 -21.258 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.369 -20.386 6.653 1.00 0.00 H new ATOM 101 N GLU A 11 5.198 -21.622 9.411 1.00 0.00 N ATOM 102 CA GLU A 11 4.838 -21.598 10.820 1.00 0.00 C ATOM 103 C GLU A 11 4.127 -20.281 11.106 1.00 0.00 C ATOM 104 O GLU A 11 2.930 -20.277 11.392 1.00 0.00 O ATOM 105 CB GLU A 11 6.073 -21.726 11.712 1.00 0.00 C ATOM 106 CG GLU A 11 6.596 -23.157 11.814 1.00 0.00 C ATOM 107 CD GLU A 11 7.662 -23.200 12.904 1.00 0.00 C ATOM 108 OE1 GLU A 11 7.295 -23.005 14.088 1.00 0.00 O ATOM 109 OE2 GLU A 11 8.860 -23.328 12.569 1.00 0.00 O ATOM 0 H GLU A 11 6.200 -21.688 9.233 1.00 0.00 H new ATOM 0 HA GLU A 11 4.186 -22.444 11.039 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.863 -21.084 11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.831 -21.362 12.711 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.783 -23.843 12.051 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.015 -23.477 10.860 1.00 0.00 H new ATOM 116 N ASP A 12 4.868 -19.175 11.004 1.00 0.00 N ATOM 117 CA ASP A 12 4.401 -17.848 11.393 1.00 0.00 C ATOM 118 C ASP A 12 4.467 -16.844 10.236 1.00 0.00 C ATOM 119 O ASP A 12 3.923 -15.749 10.346 1.00 0.00 O ATOM 120 CB ASP A 12 5.164 -17.376 12.641 1.00 0.00 C ATOM 121 CG ASP A 12 4.439 -16.231 13.347 1.00 0.00 C ATOM 122 OD1 ASP A 12 3.219 -16.373 13.601 1.00 0.00 O ATOM 123 OD2 ASP A 12 5.071 -15.202 13.666 1.00 0.00 O ATOM 0 H ASP A 12 5.822 -19.179 10.643 1.00 0.00 H new ATOM 0 HA ASP A 12 3.344 -17.913 11.650 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.285 -18.211 13.331 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.165 -17.052 12.355 1.00 0.00 H new ATOM 128 N LEU A 13 5.077 -17.216 9.102 1.00 0.00 N ATOM 129 CA LEU A 13 4.985 -16.476 7.845 1.00 0.00 C ATOM 130 C LEU A 13 3.572 -16.593 7.261 1.00 0.00 C ATOM 131 O LEU A 13 2.963 -17.659 7.372 1.00 0.00 O ATOM 132 CB LEU A 13 6.015 -17.005 6.830 1.00 0.00 C ATOM 133 CG LEU A 13 7.448 -16.562 7.165 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.471 -17.254 6.266 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.613 -15.048 7.028 1.00 0.00 C ATOM 0 H LEU A 13 5.656 -18.053 9.036 1.00 0.00 H new ATOM 0 HA LEU A 13 5.200 -15.427 8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.971 -18.094 6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.752 -16.652 5.833 1.00 0.00 H new ATOM 0 HG LEU A 13 7.627 -16.850 8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.474 -16.918 6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.403 -18.333 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.267 -17.005 5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.638 -14.770 7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.390 -14.749 6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.928 -14.544 7.710 1.00 0.00 H new ATOM 147 N PRO A 14 3.049 -15.528 6.629 1.00 0.00 N ATOM 148 CA PRO A 14 1.658 -15.478 6.192 1.00 0.00 C ATOM 149 C PRO A 14 1.380 -16.387 4.989 1.00 0.00 C ATOM 150 O PRO A 14 2.285 -16.718 4.220 1.00 0.00 O ATOM 151 CB PRO A 14 1.384 -14.019 5.822 1.00 0.00 C ATOM 152 CG PRO A 14 2.764 -13.497 5.465 1.00 0.00 C ATOM 153 CD PRO A 14 3.738 -14.283 6.320 1.00 0.00 C ATOM 0 HA PRO A 14 1.007 -15.836 6.990 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.692 -13.938 4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.945 -13.467 6.653 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.973 -13.638 4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.842 -12.428 5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.670 -14.470 5.786 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.995 -13.738 7.228 1.00 0.00 H new ATOM 161 N MET A 15 0.103 -16.721 4.774 1.00 0.00 N ATOM 162 CA MET A 15 -0.315 -17.732 3.802 1.00 0.00 C ATOM 163 C MET A 15 -1.134 -17.191 2.633 1.00 0.00 C ATOM 164 O MET A 15 -0.983 -17.701 1.523 1.00 0.00 O ATOM 165 CB MET A 15 -1.149 -18.813 4.497 1.00 0.00 C ATOM 166 CG MET A 15 -0.413 -19.486 5.656 1.00 0.00 C ATOM 167 SD MET A 15 -1.157 -21.040 6.225 1.00 0.00 S ATOM 168 CE MET A 15 -2.914 -20.607 6.362 1.00 0.00 C ATOM 0 H MET A 15 -0.675 -16.292 5.275 1.00 0.00 H new ATOM 0 HA MET A 15 0.613 -18.129 3.391 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.072 -18.368 4.870 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.433 -19.570 3.766 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.615 -19.681 5.351 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.371 -18.791 6.494 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.480 -21.481 6.685 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.036 -19.806 7.091 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.283 -20.274 5.392 1.00 0.00 H new ATOM 178 N VAL A 16 -2.041 -16.234 2.858 1.00 0.00 N ATOM 179 CA VAL A 16 -2.894 -15.686 1.805 1.00 0.00 C ATOM 180 C VAL A 16 -3.045 -14.180 2.003 1.00 0.00 C ATOM 181 O VAL A 16 -2.883 -13.669 3.114 1.00 0.00 O ATOM 182 CB VAL A 16 -4.269 -16.394 1.693 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.132 -17.893 1.405 1.00 0.00 C ATOM 184 CG2 VAL A 16 -5.201 -16.264 2.900 1.00 0.00 C ATOM 0 H VAL A 16 -2.202 -15.820 3.776 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.401 -15.876 0.852 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.723 -15.855 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.123 -18.342 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.602 -18.036 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.573 -18.369 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.129 -16.800 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.718 -16.688 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.421 -15.211 3.078 1.00 0.00 H new ATOM 194 N ALA A 17 -3.344 -13.500 0.902 1.00 0.00 N ATOM 195 CA ALA A 17 -3.635 -12.088 0.802 1.00 0.00 C ATOM 196 C ALA A 17 -5.068 -11.788 1.246 1.00 0.00 C ATOM 197 O ALA A 17 -5.845 -12.729 1.440 1.00 0.00 O ATOM 198 CB ALA A 17 -3.441 -11.715 -0.672 1.00 0.00 C ATOM 0 H ALA A 17 -3.391 -13.962 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.979 -11.508 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.648 -10.654 -0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.413 -11.925 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.123 -12.300 -1.288 1.00 0.00 H new ATOM 204 N PRO A 18 -5.458 -10.502 1.372 1.00 0.00 N ATOM 205 CA PRO A 18 -6.860 -10.166 1.515 1.00 0.00 C ATOM 206 C PRO A 18 -7.681 -10.715 0.345 1.00 0.00 C ATOM 207 O PRO A 18 -7.152 -11.035 -0.725 1.00 0.00 O ATOM 208 CB PRO A 18 -6.938 -8.651 1.671 1.00 0.00 C ATOM 209 CG PRO A 18 -5.514 -8.118 1.701 1.00 0.00 C ATOM 210 CD PRO A 18 -4.634 -9.298 1.324 1.00 0.00 C ATOM 0 HA PRO A 18 -7.301 -10.633 2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.495 -8.209 0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.465 -8.387 2.588 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.388 -7.294 0.999 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.258 -7.737 2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.217 -9.160 0.327 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.793 -9.383 2.012 1.00 0.00 H new ATOM 218 N GLY A 19 -8.992 -10.804 0.555 1.00 0.00 N ATOM 219 CA GLY A 19 -9.954 -11.003 -0.514 1.00 0.00 C ATOM 220 C GLY A 19 -10.001 -9.760 -1.405 1.00 0.00 C ATOM 221 O GLY A 19 -9.157 -8.863 -1.294 1.00 0.00 O ATOM 0 H GLY A 19 -9.415 -10.739 1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.679 -11.876 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.941 -11.200 -0.096 1.00 0.00 H new ATOM 225 N ASN A 20 -10.972 -9.700 -2.319 1.00 0.00 N ATOM 226 CA ASN A 20 -10.981 -8.648 -3.329 1.00 0.00 C ATOM 227 C ASN A 20 -10.998 -7.248 -2.703 1.00 0.00 C ATOM 228 O ASN A 20 -11.538 -7.018 -1.618 1.00 0.00 O ATOM 229 CB ASN A 20 -12.121 -8.823 -4.342 1.00 0.00 C ATOM 230 CG ASN A 20 -13.462 -8.350 -3.798 1.00 0.00 C ATOM 231 OD1 ASN A 20 -14.265 -9.121 -3.289 1.00 0.00 O ATOM 232 ND2 ASN A 20 -13.741 -7.065 -3.909 1.00 0.00 N ATOM 0 H ASN A 20 -11.749 -10.358 -2.378 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.046 -8.745 -3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.885 -8.268 -5.250 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.196 -9.874 -4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.633 -6.706 -3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.065 -6.431 -4.335 1.00 0.00 H new ATOM 239 N VAL A 21 -10.438 -6.292 -3.440 1.00 0.00 N ATOM 240 CA VAL A 21 -10.132 -4.951 -2.967 1.00 0.00 C ATOM 241 C VAL A 21 -11.032 -3.967 -3.719 1.00 0.00 C ATOM 242 O VAL A 21 -11.426 -4.221 -4.867 1.00 0.00 O ATOM 243 CB VAL A 21 -8.615 -4.732 -3.176 1.00 0.00 C ATOM 244 CG1 VAL A 21 -8.088 -3.331 -2.843 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.810 -5.737 -2.334 1.00 0.00 C ATOM 0 H VAL A 21 -10.177 -6.438 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.335 -4.798 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.479 -4.874 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.014 -3.293 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.590 -2.595 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.285 -3.108 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.744 -5.572 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.047 -5.600 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.068 -6.752 -2.635 1.00 0.00 H new ATOM 255 N ARG A 22 -11.345 -2.841 -3.090 1.00 0.00 N ATOM 256 CA ARG A 22 -12.070 -1.707 -3.649 1.00 0.00 C ATOM 257 C ARG A 22 -11.233 -0.474 -3.362 1.00 0.00 C ATOM 258 O ARG A 22 -10.389 -0.490 -2.472 1.00 0.00 O ATOM 259 CB ARG A 22 -13.454 -1.567 -2.983 1.00 0.00 C ATOM 260 CG ARG A 22 -14.344 -2.814 -3.067 1.00 0.00 C ATOM 261 CD ARG A 22 -14.812 -3.032 -4.502 1.00 0.00 C ATOM 262 NE ARG A 22 -15.439 -4.342 -4.691 1.00 0.00 N ATOM 263 CZ ARG A 22 -15.721 -4.889 -5.875 1.00 0.00 C ATOM 264 NH1 ARG A 22 -15.505 -4.193 -6.993 1.00 0.00 N ATOM 265 NH2 ARG A 22 -16.161 -6.138 -5.948 1.00 0.00 N ATOM 0 H ARG A 22 -11.083 -2.686 -2.116 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.231 -1.840 -4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.311 -1.311 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.980 -0.732 -3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.792 -3.688 -2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.206 -2.700 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.521 -2.250 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.961 -2.938 -5.177 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.678 -4.876 -3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.126 -3.248 -6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.719 -4.607 -7.901 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.285 -6.685 -5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.375 -6.551 -6.856 1.00 0.00 H new ATOM 279 N VAL A 23 -11.424 0.597 -4.110 1.00 0.00 N ATOM 280 CA VAL A 23 -10.844 1.882 -3.812 1.00 0.00 C ATOM 281 C VAL A 23 -11.851 2.910 -4.269 1.00 0.00 C ATOM 282 O VAL A 23 -12.182 2.944 -5.456 1.00 0.00 O ATOM 283 CB VAL A 23 -9.424 1.999 -4.394 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.118 1.025 -5.527 1.00 0.00 C ATOM 285 CG2 VAL A 23 -8.950 3.420 -4.710 1.00 0.00 C ATOM 0 H VAL A 23 -11.997 0.592 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.668 2.044 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.813 1.683 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.096 1.180 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.228 0.002 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.811 1.196 -6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.938 3.385 -5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.618 3.872 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.956 4.017 -3.798 1.00 0.00 H new ATOM 295 N ASN A 24 -12.391 3.672 -3.323 1.00 0.00 N ATOM 296 CA ASN A 24 -13.336 4.740 -3.594 1.00 0.00 C ATOM 297 C ASN A 24 -12.598 6.063 -3.598 1.00 0.00 C ATOM 298 O ASN A 24 -11.872 6.385 -2.659 1.00 0.00 O ATOM 299 CB ASN A 24 -14.444 4.793 -2.548 1.00 0.00 C ATOM 300 CG ASN A 24 -15.352 5.972 -2.861 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.960 6.005 -3.929 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.421 6.971 -2.004 1.00 0.00 N ATOM 0 H ASN A 24 -12.178 3.560 -2.332 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.795 4.548 -4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -15.015 3.864 -2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -14.018 4.899 -1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.987 7.791 -2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.909 6.924 -1.123 1.00 0.00 H new ATOM 309 N VAL A 25 -12.797 6.846 -4.644 1.00 0.00 N ATOM 310 CA VAL A 25 -12.204 8.167 -4.738 1.00 0.00 C ATOM 311 C VAL A 25 -13.046 9.122 -3.896 1.00 0.00 C ATOM 312 O VAL A 25 -14.202 9.406 -4.209 1.00 0.00 O ATOM 313 CB VAL A 25 -12.047 8.550 -6.212 1.00 0.00 C ATOM 314 CG1 VAL A 25 -11.494 9.964 -6.385 1.00 0.00 C ATOM 315 CG2 VAL A 25 -11.056 7.569 -6.861 1.00 0.00 C ATOM 0 H VAL A 25 -13.370 6.586 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.194 8.208 -4.330 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.032 8.509 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.400 10.191 -7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.172 10.679 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.515 10.032 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.929 7.823 -7.913 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.094 7.634 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.442 6.553 -6.777 1.00 0.00 H new ATOM 325 N VAL A 26 -12.456 9.556 -2.787 1.00 0.00 N ATOM 326 CA VAL A 26 -13.013 10.465 -1.795 1.00 0.00 C ATOM 327 C VAL A 26 -12.909 11.891 -2.316 1.00 0.00 C ATOM 328 O VAL A 26 -13.920 12.554 -2.546 1.00 0.00 O ATOM 329 CB VAL A 26 -12.354 10.228 -0.418 1.00 0.00 C ATOM 330 CG1 VAL A 26 -12.948 8.956 0.196 1.00 0.00 C ATOM 331 CG2 VAL A 26 -10.901 9.963 -0.498 1.00 0.00 C ATOM 0 H VAL A 26 -11.511 9.261 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.074 10.272 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.532 11.135 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.492 8.775 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.024 9.078 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.750 8.109 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.504 9.806 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.726 9.072 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.400 10.816 -0.957 1.00 0.00 H new ATOM 341 N ASN A 27 -11.676 12.307 -2.578 1.00 0.00 N ATOM 342 CA ASN A 27 -11.313 13.661 -3.006 1.00 0.00 C ATOM 343 C ASN A 27 -10.528 13.600 -4.322 1.00 0.00 C ATOM 344 O ASN A 27 -10.276 12.515 -4.840 1.00 0.00 O ATOM 345 CB ASN A 27 -10.451 14.356 -1.938 1.00 0.00 C ATOM 346 CG ASN A 27 -10.988 14.361 -0.510 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.169 14.175 -0.237 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.097 14.581 0.438 1.00 0.00 N ATOM 0 H ASN A 27 -10.868 11.690 -2.496 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.231 14.231 -3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.471 13.878 -1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.299 15.390 -2.246 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.386 14.598 1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.119 14.734 0.193 1.00 0.00 H new ATOM 355 N SER A 28 -10.039 14.739 -4.829 1.00 0.00 N ATOM 356 CA SER A 28 -8.969 14.738 -5.823 1.00 0.00 C ATOM 357 C SER A 28 -7.725 14.060 -5.253 1.00 0.00 C ATOM 358 O SER A 28 -7.221 13.073 -5.789 1.00 0.00 O ATOM 359 CB SER A 28 -8.648 16.160 -6.314 1.00 0.00 C ATOM 360 OG SER A 28 -8.909 17.153 -5.336 1.00 0.00 O ATOM 0 H SER A 28 -10.369 15.668 -4.566 1.00 0.00 H new ATOM 0 HA SER A 28 -9.311 14.171 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.599 16.210 -6.605 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.237 16.372 -7.206 1.00 0.00 H new ATOM 0 HG SER A 28 -8.687 18.036 -5.699 1.00 0.00 H new ATOM 366 N THR A 29 -7.237 14.606 -4.148 1.00 0.00 N ATOM 367 CA THR A 29 -5.927 14.344 -3.574 1.00 0.00 C ATOM 368 C THR A 29 -5.909 13.184 -2.581 1.00 0.00 C ATOM 369 O THR A 29 -4.877 12.936 -1.950 1.00 0.00 O ATOM 370 CB THR A 29 -5.487 15.653 -2.904 1.00 0.00 C ATOM 371 OG1 THR A 29 -6.561 16.282 -2.212 1.00 0.00 O ATOM 372 CG2 THR A 29 -5.050 16.628 -3.989 1.00 0.00 C ATOM 0 H THR A 29 -7.773 15.279 -3.600 1.00 0.00 H new ATOM 0 HA THR A 29 -5.241 14.033 -4.362 1.00 0.00 H new ATOM 0 HB THR A 29 -4.689 15.410 -2.202 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.242 17.111 -1.797 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.734 17.565 -3.530 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.219 16.200 -4.550 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.884 16.818 -4.665 1.00 0.00 H new ATOM 380 N LEU A 30 -7.053 12.529 -2.387 1.00 0.00 N ATOM 381 CA LEU A 30 -7.272 11.465 -1.433 1.00 0.00 C ATOM 382 C LEU A 30 -8.057 10.362 -2.141 1.00 0.00 C ATOM 383 O LEU A 30 -8.976 10.673 -2.903 1.00 0.00 O ATOM 384 CB LEU A 30 -8.035 12.068 -0.240 1.00 0.00 C ATOM 385 CG LEU A 30 -8.131 11.179 1.001 1.00 0.00 C ATOM 386 CD1 LEU A 30 -6.760 10.773 1.524 1.00 0.00 C ATOM 387 CD2 LEU A 30 -8.885 11.957 2.070 1.00 0.00 C ATOM 0 H LEU A 30 -7.892 12.745 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.347 11.028 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.552 13.004 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.045 12.316 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.653 10.258 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.879 10.143 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.225 10.220 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.193 11.665 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.971 11.349 2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.344 12.874 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.881 12.206 1.704 1.00 0.00 H new ATOM 399 N ALA A 31 -7.747 9.094 -1.880 1.00 0.00 N ATOM 400 CA ALA A 31 -8.631 7.963 -2.164 1.00 0.00 C ATOM 401 C ALA A 31 -8.771 7.152 -0.876 1.00 0.00 C ATOM 402 O ALA A 31 -7.870 7.188 -0.043 1.00 0.00 O ATOM 403 CB ALA A 31 -8.128 7.123 -3.330 1.00 0.00 C ATOM 0 H ALA A 31 -6.860 8.818 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.611 8.323 -2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.815 6.295 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.070 7.742 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.139 6.730 -3.095 1.00 0.00 H new ATOM 409 N GLU A 32 -9.868 6.428 -0.700 1.00 0.00 N ATOM 410 CA GLU A 32 -10.031 5.371 0.271 1.00 0.00 C ATOM 411 C GLU A 32 -9.720 4.068 -0.462 1.00 0.00 C ATOM 412 O GLU A 32 -10.159 3.888 -1.594 1.00 0.00 O ATOM 413 CB GLU A 32 -11.490 5.393 0.759 1.00 0.00 C ATOM 414 CG GLU A 32 -11.634 4.497 1.984 1.00 0.00 C ATOM 415 CD GLU A 32 -13.031 4.435 2.620 1.00 0.00 C ATOM 416 OE1 GLU A 32 -13.859 5.342 2.401 1.00 0.00 O ATOM 417 OE2 GLU A 32 -13.328 3.486 3.385 1.00 0.00 O ATOM 0 H GLU A 32 -10.706 6.575 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.377 5.482 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.786 6.413 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.154 5.051 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.340 3.485 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.928 4.837 2.742 1.00 0.00 H new ATOM 424 N VAL A 33 -9.011 3.134 0.161 1.00 0.00 N ATOM 425 CA VAL A 33 -8.834 1.771 -0.331 1.00 0.00 C ATOM 426 C VAL A 33 -9.483 0.877 0.716 1.00 0.00 C ATOM 427 O VAL A 33 -9.311 1.122 1.909 1.00 0.00 O ATOM 428 CB VAL A 33 -7.347 1.430 -0.490 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.211 0.012 -1.043 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.638 2.366 -1.464 1.00 0.00 C ATOM 0 H VAL A 33 -8.531 3.307 1.044 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.284 1.639 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.891 1.531 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.155 -0.234 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.675 -0.693 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.705 -0.049 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.588 2.083 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.107 2.293 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.711 3.391 -1.102 1.00 0.00 H new ATOM 440 N HIS A 34 -10.185 -0.159 0.272 1.00 0.00 N ATOM 441 CA HIS A 34 -10.901 -1.108 1.106 1.00 0.00 C ATOM 442 C HIS A 34 -10.443 -2.502 0.680 1.00 0.00 C ATOM 443 O HIS A 34 -10.190 -2.731 -0.503 1.00 0.00 O ATOM 444 CB HIS A 34 -12.429 -1.009 0.916 1.00 0.00 C ATOM 445 CG HIS A 34 -13.120 0.336 0.739 1.00 0.00 C ATOM 446 ND1 HIS A 34 -14.425 0.559 1.102 1.00 0.00 N ATOM 447 CD2 HIS A 34 -12.716 1.456 0.048 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.783 1.775 0.675 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.774 2.374 0.023 1.00 0.00 N ATOM 0 H HIS A 34 -10.272 -0.367 -0.723 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.689 -0.899 2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.680 -1.612 0.044 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.888 -1.491 1.779 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -15.021 -0.093 1.612 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -11.745 1.603 -0.400 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -15.756 2.217 0.834 1.00 0.00 H new ATOM 457 N TRP A 35 -10.378 -3.450 1.601 1.00 0.00 N ATOM 458 CA TRP A 35 -10.080 -4.846 1.343 1.00 0.00 C ATOM 459 C TRP A 35 -10.995 -5.706 2.218 1.00 0.00 C ATOM 460 O TRP A 35 -11.655 -5.195 3.128 1.00 0.00 O ATOM 461 CB TRP A 35 -8.572 -5.096 1.552 1.00 0.00 C ATOM 462 CG TRP A 35 -7.916 -4.604 2.818 1.00 0.00 C ATOM 463 CD1 TRP A 35 -7.660 -5.360 3.911 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.364 -3.281 3.123 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.009 -4.606 4.865 1.00 0.00 N ATOM 466 CE2 TRP A 35 -6.834 -3.308 4.448 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.251 -2.055 2.426 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.279 -2.181 5.068 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.681 -0.917 3.030 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.207 -0.974 4.353 1.00 0.00 C ATOM 0 H TRP A 35 -10.539 -3.258 2.590 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.283 -5.125 0.309 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.406 -6.172 1.492 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.044 -4.645 0.712 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.926 -6.401 4.020 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.697 -4.966 5.767 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.609 -1.990 1.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.911 -2.239 6.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.607 0.006 2.473 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.789 -0.093 4.817 1.00 0.00 H new ATOM 481 N ASP A 36 -11.063 -7.006 1.933 1.00 0.00 N ATOM 482 CA ASP A 36 -11.663 -7.963 2.865 1.00 0.00 C ATOM 483 C ASP A 36 -10.689 -8.143 4.027 1.00 0.00 C ATOM 484 O ASP A 36 -9.480 -8.162 3.792 1.00 0.00 O ATOM 485 CB ASP A 36 -11.842 -9.348 2.223 1.00 0.00 C ATOM 486 CG ASP A 36 -13.130 -9.566 1.439 1.00 0.00 C ATOM 487 OD1 ASP A 36 -13.860 -8.587 1.167 1.00 0.00 O ATOM 488 OD2 ASP A 36 -13.421 -10.739 1.116 1.00 0.00 O ATOM 0 H ASP A 36 -10.712 -7.420 1.069 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.637 -7.581 3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.000 -9.527 1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.789 -10.100 3.010 1.00 0.00 H new ATOM 493 N PRO A 37 -11.165 -8.388 5.253 1.00 0.00 N ATOM 494 CA PRO A 37 -10.313 -8.925 6.303 1.00 0.00 C ATOM 495 C PRO A 37 -9.826 -10.308 5.876 1.00 0.00 C ATOM 496 O PRO A 37 -10.609 -11.084 5.318 1.00 0.00 O ATOM 497 CB PRO A 37 -11.202 -9.025 7.545 1.00 0.00 C ATOM 498 CG PRO A 37 -12.632 -9.056 6.998 1.00 0.00 C ATOM 499 CD PRO A 37 -12.567 -8.413 5.623 1.00 0.00 C ATOM 0 HA PRO A 37 -9.439 -8.304 6.499 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.979 -9.923 8.121 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.051 -8.175 8.210 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.003 -10.079 6.934 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.312 -8.511 7.652 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.150 -8.982 4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.982 -7.405 5.645 1.00 0.00 H new ATOM 507 N VAL A 38 -8.571 -10.657 6.163 1.00 0.00 N ATOM 508 CA VAL A 38 -8.201 -12.067 6.183 1.00 0.00 C ATOM 509 C VAL A 38 -8.508 -12.678 7.562 1.00 0.00 C ATOM 510 O VAL A 38 -8.589 -11.938 8.557 1.00 0.00 O ATOM 511 CB VAL A 38 -6.737 -12.264 5.774 1.00 0.00 C ATOM 512 CG1 VAL A 38 -6.470 -11.791 4.356 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.740 -11.529 6.653 1.00 0.00 C ATOM 0 H VAL A 38 -7.817 -10.004 6.378 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.803 -12.597 5.445 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.594 -13.340 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.420 -11.951 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.094 -12.353 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.704 -10.729 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.728 -11.721 6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.941 -10.458 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.834 -11.879 7.681 1.00 0.00 H new ATOM 523 N PRO A 39 -8.635 -14.013 7.655 1.00 0.00 N ATOM 524 CA PRO A 39 -8.672 -14.735 8.919 1.00 0.00 C ATOM 525 C PRO A 39 -7.315 -14.627 9.605 1.00 0.00 C ATOM 526 O PRO A 39 -6.284 -14.716 8.940 1.00 0.00 O ATOM 527 CB PRO A 39 -8.938 -16.208 8.558 1.00 0.00 C ATOM 528 CG PRO A 39 -9.347 -16.180 7.087 1.00 0.00 C ATOM 529 CD PRO A 39 -8.601 -14.961 6.559 1.00 0.00 C ATOM 0 HA PRO A 39 -9.434 -14.335 9.588 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.049 -16.820 8.710 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.726 -16.632 9.180 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.053 -17.092 6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.426 -16.078 6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.577 -15.211 6.282 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.082 -14.556 5.669 1.00 0.00 H new ATOM 537 N LEU A 40 -7.283 -14.614 10.939 1.00 0.00 N ATOM 538 CA LEU A 40 -6.034 -14.762 11.692 1.00 0.00 C ATOM 539 C LEU A 40 -5.192 -15.969 11.277 1.00 0.00 C ATOM 540 O LEU A 40 -3.972 -15.963 11.394 1.00 0.00 O ATOM 541 CB LEU A 40 -6.219 -14.604 13.201 1.00 0.00 C ATOM 542 CG LEU A 40 -6.743 -15.795 14.003 1.00 0.00 C ATOM 543 CD1 LEU A 40 -8.061 -16.262 13.401 1.00 0.00 C ATOM 544 CD2 LEU A 40 -5.713 -16.916 14.095 1.00 0.00 C ATOM 0 H LEU A 40 -8.112 -14.502 11.523 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.420 -13.911 11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.256 -14.318 13.624 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.900 -13.769 13.365 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.925 -15.481 15.031 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.440 -17.112 13.969 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.786 -15.449 13.438 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.902 -16.560 12.365 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.126 -17.743 14.673 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.463 -17.263 13.093 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.813 -16.544 14.585 1.00 0.00 H new ATOM 556 N LYS A 41 -5.843 -17.012 10.772 1.00 0.00 N ATOM 557 CA LYS A 41 -5.179 -18.233 10.339 1.00 0.00 C ATOM 558 C LYS A 41 -4.233 -17.998 9.161 1.00 0.00 C ATOM 559 O LYS A 41 -3.211 -18.681 9.118 1.00 0.00 O ATOM 560 CB LYS A 41 -6.206 -19.340 10.036 1.00 0.00 C ATOM 561 CG LYS A 41 -5.886 -20.675 10.732 1.00 0.00 C ATOM 562 CD LYS A 41 -6.160 -20.680 12.248 1.00 0.00 C ATOM 563 CE LYS A 41 -4.936 -20.327 13.108 1.00 0.00 C ATOM 564 NZ LYS A 41 -5.223 -20.469 14.550 1.00 0.00 N ATOM 0 H LYS A 41 -6.856 -17.032 10.651 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.556 -18.571 11.167 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.195 -19.004 10.348 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.249 -19.501 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.475 -21.465 10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.837 -20.917 10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.959 -19.971 12.464 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.522 -21.666 12.538 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.102 -20.974 12.837 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.626 -19.303 12.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.404 -20.142 15.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.056 -19.897 14.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.412 -21.468 14.770 1.00 0.00 H new ATOM 578 N SER A 42 -4.515 -17.067 8.242 1.00 0.00 N ATOM 579 CA SER A 42 -3.590 -16.763 7.156 1.00 0.00 C ATOM 580 C SER A 42 -2.412 -15.954 7.687 1.00 0.00 C ATOM 581 O SER A 42 -1.294 -16.157 7.224 1.00 0.00 O ATOM 582 CB SER A 42 -4.288 -16.021 6.022 1.00 0.00 C ATOM 583 OG SER A 42 -4.632 -14.712 6.390 1.00 0.00 O ATOM 0 H SER A 42 -5.373 -16.516 8.233 1.00 0.00 H new ATOM 0 HA SER A 42 -3.219 -17.704 6.750 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.635 -15.994 5.150 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.187 -16.565 5.731 1.00 0.00 H new ATOM 0 HG SER A 42 -5.165 -14.733 7.212 1.00 0.00 H new ATOM 589 N ILE A 43 -2.671 -15.055 8.644 1.00 0.00 N ATOM 590 CA ILE A 43 -1.684 -14.211 9.314 1.00 0.00 C ATOM 591 C ILE A 43 -0.721 -15.110 10.085 1.00 0.00 C ATOM 592 O ILE A 43 0.467 -14.816 10.136 1.00 0.00 O ATOM 593 CB ILE A 43 -2.367 -13.213 10.282 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.577 -12.508 9.630 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.366 -12.170 10.818 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.312 -11.584 10.600 1.00 0.00 C ATOM 0 H ILE A 43 -3.618 -14.891 8.985 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.144 -13.630 8.567 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.736 -13.800 11.123 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.236 -11.930 8.771 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.271 -13.259 9.253 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.880 -11.486 11.494 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.565 -12.677 11.355 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.945 -11.608 9.984 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.153 -11.115 10.089 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.679 -12.164 11.447 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.629 -10.813 10.957 1.00 0.00 H new ATOM 608 N ARG A 44 -1.242 -16.192 10.672 1.00 0.00 N ATOM 609 CA ARG A 44 -0.607 -17.153 11.566 1.00 0.00 C ATOM 610 C ARG A 44 -0.543 -16.607 12.972 1.00 0.00 C ATOM 611 O ARG A 44 -1.146 -17.190 13.872 1.00 0.00 O ATOM 612 CB ARG A 44 0.750 -17.676 11.061 1.00 0.00 C ATOM 613 CG ARG A 44 0.722 -18.246 9.636 1.00 0.00 C ATOM 614 CD ARG A 44 -0.185 -19.469 9.493 1.00 0.00 C ATOM 615 NE ARG A 44 0.532 -20.721 9.752 1.00 0.00 N ATOM 616 CZ ARG A 44 -0.006 -21.940 9.727 1.00 0.00 C ATOM 617 NH1 ARG A 44 -1.322 -22.089 9.608 1.00 0.00 N ATOM 618 NH2 ARG A 44 0.776 -23.007 9.800 1.00 0.00 N ATOM 0 H ARG A 44 -2.219 -16.437 10.513 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.242 -18.039 11.579 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.475 -16.863 11.100 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.103 -18.451 11.742 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.386 -17.470 8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.735 -18.517 9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.022 -19.382 10.185 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.604 -19.493 8.487 1.00 0.00 H new ATOM 0 HE ARG A 44 1.526 -20.654 9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.924 -21.269 9.535 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.730 -23.024 9.589 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.787 -22.894 9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.367 -23.941 9.781 1.00 0.00 H new ATOM 632 N GLY A 45 0.152 -15.504 13.133 1.00 0.00 N ATOM 633 CA GLY A 45 0.410 -14.832 14.392 1.00 0.00 C ATOM 634 C GLY A 45 -0.332 -13.508 14.467 1.00 0.00 C ATOM 635 O GLY A 45 -1.355 -13.299 13.806 1.00 0.00 O ATOM 0 H GLY A 45 0.579 -15.021 12.343 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.103 -15.472 15.219 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.481 -14.659 14.503 1.00 0.00 H new ATOM 639 N HIS A 46 0.136 -12.642 15.364 1.00 0.00 N ATOM 640 CA HIS A 46 -0.509 -11.384 15.706 1.00 0.00 C ATOM 641 C HIS A 46 -0.327 -10.399 14.560 1.00 0.00 C ATOM 642 O HIS A 46 0.803 -10.095 14.172 1.00 0.00 O ATOM 643 CB HIS A 46 0.079 -10.840 17.023 1.00 0.00 C ATOM 644 CG HIS A 46 -0.003 -11.801 18.190 1.00 0.00 C ATOM 645 ND1 HIS A 46 0.845 -11.840 19.277 1.00 0.00 N ATOM 646 CD2 HIS A 46 -0.930 -12.794 18.363 1.00 0.00 C ATOM 647 CE1 HIS A 46 0.430 -12.822 20.093 1.00 0.00 C ATOM 648 NE2 HIS A 46 -0.623 -13.461 19.555 1.00 0.00 N ATOM 0 H HIS A 46 0.998 -12.804 15.885 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.578 -11.537 15.857 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.124 -10.576 16.858 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.444 -9.921 17.288 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.751 -13.022 17.699 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.878 -13.064 21.045 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.105 -14.274 19.940 1.00 0.00 H new ATOM 656 N LEU A 47 -1.436 -9.902 14.013 1.00 0.00 N ATOM 657 CA LEU A 47 -1.440 -9.001 12.869 1.00 0.00 C ATOM 658 C LEU A 47 -0.665 -7.732 13.209 1.00 0.00 C ATOM 659 O LEU A 47 -1.012 -7.020 14.161 1.00 0.00 O ATOM 660 CB LEU A 47 -2.892 -8.722 12.464 1.00 0.00 C ATOM 661 CG LEU A 47 -3.114 -7.913 11.173 1.00 0.00 C ATOM 662 CD1 LEU A 47 -3.267 -6.428 11.490 1.00 0.00 C ATOM 663 CD2 LEU A 47 -2.131 -8.209 10.039 1.00 0.00 C ATOM 0 H LEU A 47 -2.370 -10.120 14.360 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.939 -9.455 12.014 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.404 -9.678 12.357 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.376 -8.192 13.284 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.058 -8.262 10.754 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.423 -5.873 10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.123 -6.283 12.149 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.364 -6.066 11.983 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.373 -7.588 9.176 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.116 -7.989 10.371 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.202 -9.261 9.761 1.00 0.00 H new ATOM 675 N GLN A 48 0.401 -7.464 12.457 1.00 0.00 N ATOM 676 CA GLN A 48 1.147 -6.220 12.589 1.00 0.00 C ATOM 677 C GLN A 48 0.390 -5.106 11.872 1.00 0.00 C ATOM 678 O GLN A 48 0.311 -3.991 12.389 1.00 0.00 O ATOM 679 CB GLN A 48 2.559 -6.362 12.010 1.00 0.00 C ATOM 680 CG GLN A 48 3.498 -7.224 12.866 1.00 0.00 C ATOM 681 CD GLN A 48 3.831 -6.655 14.247 1.00 0.00 C ATOM 682 OE1 GLN A 48 3.737 -5.452 14.501 1.00 0.00 O ATOM 683 NE2 GLN A 48 4.210 -7.523 15.166 1.00 0.00 N ATOM 0 H GLN A 48 0.767 -8.098 11.747 1.00 0.00 H new ATOM 0 HA GLN A 48 1.245 -5.976 13.647 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.490 -6.797 11.013 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.996 -5.370 11.896 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.045 -8.207 12.996 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.429 -7.372 12.318 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.281 -8.514 14.934 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.432 -7.203 16.109 1.00 0.00 H new ATOM 692 N GLY A 49 -0.247 -5.411 10.743 1.00 0.00 N ATOM 693 CA GLY A 49 -0.866 -4.423 9.899 1.00 0.00 C ATOM 694 C GLY A 49 -0.945 -4.951 8.480 1.00 0.00 C ATOM 695 O GLY A 49 -0.585 -6.097 8.191 1.00 0.00 O ATOM 0 H GLY A 49 -0.342 -6.365 10.396 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.865 -4.188 10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.291 -3.497 9.923 1.00 0.00 H new ATOM 699 N TYR A 50 -1.409 -4.080 7.603 1.00 0.00 N ATOM 700 CA TYR A 50 -1.388 -4.269 6.166 1.00 0.00 C ATOM 701 C TYR A 50 -0.439 -3.214 5.577 1.00 0.00 C ATOM 702 O TYR A 50 0.009 -2.280 6.256 1.00 0.00 O ATOM 703 CB TYR A 50 -2.820 -4.185 5.607 1.00 0.00 C ATOM 704 CG TYR A 50 -3.796 -5.266 6.064 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.466 -5.144 7.297 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.100 -6.355 5.222 1.00 0.00 C ATOM 707 CE1 TYR A 50 -5.419 -6.100 7.697 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.049 -7.319 5.619 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.716 -7.198 6.858 1.00 0.00 C ATOM 710 OH TYR A 50 -6.660 -8.118 7.210 1.00 0.00 O ATOM 0 H TYR A 50 -1.825 -3.191 7.882 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.018 -5.256 5.889 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.235 -3.214 5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.763 -4.215 4.519 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.246 -4.307 7.943 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.603 -6.451 4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.924 -5.994 8.646 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.267 -8.155 4.972 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.347 -7.688 7.761 1.00 0.00 H new ATOM 720 N ARG A 51 -0.064 -3.385 4.316 1.00 0.00 N ATOM 721 CA ARG A 51 0.804 -2.485 3.562 1.00 0.00 C ATOM 722 C ARG A 51 0.118 -2.192 2.233 1.00 0.00 C ATOM 723 O ARG A 51 -0.592 -3.063 1.732 1.00 0.00 O ATOM 724 CB ARG A 51 2.175 -3.171 3.361 1.00 0.00 C ATOM 725 CG ARG A 51 3.327 -2.179 3.528 1.00 0.00 C ATOM 726 CD ARG A 51 4.710 -2.770 3.195 1.00 0.00 C ATOM 727 NE ARG A 51 5.544 -2.932 4.398 1.00 0.00 N ATOM 728 CZ ARG A 51 6.193 -4.024 4.827 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.152 -5.178 4.174 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.898 -3.967 5.947 1.00 0.00 N ATOM 0 H ARG A 51 -0.368 -4.188 3.766 1.00 0.00 H new ATOM 0 HA ARG A 51 0.975 -1.546 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.286 -3.983 4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.218 -3.617 2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.147 -1.316 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.335 -1.816 4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.584 -3.737 2.708 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.221 -2.120 2.484 1.00 0.00 H new ATOM 0 HE ARG A 51 5.641 -2.102 4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.612 -5.257 3.312 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.660 -5.986 4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.944 -3.097 6.477 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.394 -4.794 6.280 1.00 0.00 H new ATOM 744 N ILE A 52 0.351 -1.020 1.638 1.00 0.00 N ATOM 745 CA ILE A 52 -0.091 -0.728 0.275 1.00 0.00 C ATOM 746 C ILE A 52 1.133 -0.296 -0.525 1.00 0.00 C ATOM 747 O ILE A 52 1.847 0.629 -0.128 1.00 0.00 O ATOM 748 CB ILE A 52 -1.247 0.299 0.226 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.501 -0.258 0.933 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.587 0.674 -1.228 1.00 0.00 C ATOM 751 CD1 ILE A 52 -3.764 0.616 0.845 1.00 0.00 C ATOM 0 H ILE A 52 0.849 -0.251 2.086 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.520 -1.623 -0.175 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.918 1.197 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.729 -1.236 0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.263 -0.414 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.403 1.397 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.710 1.111 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.890 -0.220 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.582 0.128 1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.566 1.588 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.040 0.752 -0.201 1.00 0.00 H new ATOM 763 N TYR A 53 1.402 -0.973 -1.638 1.00 0.00 N ATOM 764 CA TYR A 53 2.328 -0.527 -2.677 1.00 0.00 C ATOM 765 C TYR A 53 1.458 0.249 -3.659 1.00 0.00 C ATOM 766 O TYR A 53 0.349 -0.200 -3.919 1.00 0.00 O ATOM 767 CB TYR A 53 2.924 -1.751 -3.406 1.00 0.00 C ATOM 768 CG TYR A 53 4.011 -2.471 -2.632 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.673 -3.335 -1.572 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.366 -2.188 -2.896 1.00 0.00 C ATOM 771 CE1 TYR A 53 4.673 -3.831 -0.719 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.367 -2.672 -2.032 1.00 0.00 C ATOM 773 CZ TYR A 53 6.023 -3.488 -0.934 1.00 0.00 C ATOM 774 OH TYR A 53 6.963 -3.925 -0.055 1.00 0.00 O ATOM 0 H TYR A 53 0.970 -1.873 -1.849 1.00 0.00 H new ATOM 0 HA TYR A 53 3.149 0.064 -2.270 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.121 -2.456 -3.623 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.331 -1.426 -4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.642 -3.617 -1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.637 -1.600 -3.761 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.406 -4.477 0.104 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.401 -2.418 -2.211 1.00 0.00 H new ATOM 0 HH TYR A 53 7.847 -3.609 -0.337 1.00 0.00 H new ATOM 784 N TYR A 54 1.883 1.388 -4.198 1.00 0.00 N ATOM 785 CA TYR A 54 1.218 2.055 -5.308 1.00 0.00 C ATOM 786 C TYR A 54 2.220 2.768 -6.208 1.00 0.00 C ATOM 787 O TYR A 54 3.391 2.911 -5.846 1.00 0.00 O ATOM 788 CB TYR A 54 0.154 3.017 -4.768 1.00 0.00 C ATOM 789 CG TYR A 54 0.647 4.192 -3.958 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.907 4.007 -2.592 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.741 5.470 -4.534 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.226 5.111 -1.783 1.00 0.00 C ATOM 793 CE2 TYR A 54 1.071 6.582 -3.734 1.00 0.00 C ATOM 794 CZ TYR A 54 1.266 6.410 -2.344 1.00 0.00 C ATOM 795 OH TYR A 54 1.549 7.482 -1.553 1.00 0.00 O ATOM 0 H TYR A 54 2.714 1.880 -3.869 1.00 0.00 H new ATOM 0 HA TYR A 54 0.723 1.305 -5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.416 3.402 -5.613 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.539 2.445 -4.150 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.862 3.017 -2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.560 5.600 -5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.440 4.968 -0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.174 7.560 -4.180 1.00 0.00 H new ATOM 0 HH TYR A 54 1.538 8.299 -2.094 1.00 0.00 H new ATOM 805 N TRP A 55 1.787 3.197 -7.390 1.00 0.00 N ATOM 806 CA TRP A 55 2.532 4.107 -8.244 1.00 0.00 C ATOM 807 C TRP A 55 1.587 4.980 -9.064 1.00 0.00 C ATOM 808 O TRP A 55 0.431 4.615 -9.309 1.00 0.00 O ATOM 809 CB TRP A 55 3.494 3.322 -9.137 1.00 0.00 C ATOM 810 CG TRP A 55 2.916 2.267 -10.031 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.435 2.465 -11.278 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.811 0.832 -9.784 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.064 1.255 -11.828 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.310 0.208 -10.965 1.00 0.00 C ATOM 815 CE3 TRP A 55 3.112 -0.011 -8.691 1.00 0.00 C ATOM 816 CZ2 TRP A 55 2.155 -1.184 -11.065 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.965 -1.409 -8.782 1.00 0.00 C ATOM 818 CH2 TRP A 55 2.487 -1.997 -9.967 1.00 0.00 C ATOM 0 H TRP A 55 0.890 2.914 -7.786 1.00 0.00 H new ATOM 0 HA TRP A 55 3.123 4.774 -7.616 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.027 4.037 -9.764 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.235 2.847 -8.494 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.353 3.423 -11.769 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.658 1.148 -12.758 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.462 0.425 -7.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.784 -1.626 -11.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.221 -2.032 -7.938 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.375 -3.069 -10.033 1.00 0.00 H new ATOM 829 N LYS A 56 2.103 6.123 -9.520 1.00 0.00 N ATOM 830 CA LYS A 56 1.453 6.991 -10.497 1.00 0.00 C ATOM 831 C LYS A 56 1.577 6.357 -11.874 1.00 0.00 C ATOM 832 O LYS A 56 2.661 5.897 -12.244 1.00 0.00 O ATOM 833 CB LYS A 56 2.156 8.361 -10.454 1.00 0.00 C ATOM 834 CG LYS A 56 1.708 9.415 -11.482 1.00 0.00 C ATOM 835 CD LYS A 56 0.300 9.956 -11.218 1.00 0.00 C ATOM 836 CE LYS A 56 0.053 11.306 -11.905 1.00 0.00 C ATOM 837 NZ LYS A 56 -0.012 11.240 -13.383 1.00 0.00 N ATOM 0 H LYS A 56 3.008 6.477 -9.210 1.00 0.00 H new ATOM 0 HA LYS A 56 0.394 7.123 -10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.017 8.781 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.226 8.196 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.416 10.244 -11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.741 8.977 -12.480 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.436 9.233 -11.569 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.151 10.066 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.882 11.724 -11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.847 11.996 -11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.784 11.771 -13.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.041 10.247 -13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.908 11.655 -13.710 1.00 0.00 H new ATOM 851 N THR A 57 0.504 6.405 -12.653 1.00 0.00 N ATOM 852 CA THR A 57 0.490 5.974 -14.040 1.00 0.00 C ATOM 853 C THR A 57 0.394 7.227 -14.935 1.00 0.00 C ATOM 854 O THR A 57 0.150 8.348 -14.462 1.00 0.00 O ATOM 855 CB THR A 57 -0.654 4.949 -14.233 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.734 4.052 -13.139 1.00 0.00 O ATOM 857 CG2 THR A 57 -0.449 4.074 -15.468 1.00 0.00 C ATOM 0 H THR A 57 -0.399 6.752 -12.329 1.00 0.00 H new ATOM 0 HA THR A 57 1.405 5.457 -14.329 1.00 0.00 H new ATOM 0 HB THR A 57 -1.558 5.551 -14.331 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.466 3.418 -13.289 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.278 3.372 -15.558 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.408 4.703 -16.357 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.485 3.521 -15.371 1.00 0.00 H new ATOM 865 N GLN A 58 0.620 7.045 -16.237 1.00 0.00 N ATOM 866 CA GLN A 58 0.492 8.054 -17.278 1.00 0.00 C ATOM 867 C GLN A 58 -0.438 7.475 -18.341 1.00 0.00 C ATOM 868 O GLN A 58 0.009 6.685 -19.178 1.00 0.00 O ATOM 869 CB GLN A 58 1.873 8.379 -17.873 1.00 0.00 C ATOM 870 CG GLN A 58 2.743 9.299 -17.007 1.00 0.00 C ATOM 871 CD GLN A 58 2.324 10.770 -17.043 1.00 0.00 C ATOM 872 OE1 GLN A 58 1.394 11.174 -17.734 1.00 0.00 O ATOM 873 NE2 GLN A 58 3.038 11.602 -16.312 1.00 0.00 N ATOM 0 H GLN A 58 0.912 6.141 -16.608 1.00 0.00 H new ATOM 0 HA GLN A 58 0.086 8.984 -16.881 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.410 7.446 -18.041 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.733 8.846 -18.848 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.710 8.948 -15.976 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.779 9.219 -17.338 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.808 11.249 -15.743 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.821 12.599 -16.315 1.00 0.00 H new ATOM 882 N SER A 59 -1.723 7.818 -18.278 1.00 0.00 N ATOM 883 CA SER A 59 -2.725 7.349 -19.221 1.00 0.00 C ATOM 884 C SER A 59 -2.302 7.689 -20.654 1.00 0.00 C ATOM 885 O SER A 59 -2.113 6.769 -21.452 1.00 0.00 O ATOM 886 CB SER A 59 -4.088 7.919 -18.825 1.00 0.00 C ATOM 887 OG SER A 59 -5.093 7.525 -19.731 1.00 0.00 O ATOM 0 H SER A 59 -2.098 8.438 -17.560 1.00 0.00 H new ATOM 0 HA SER A 59 -2.813 6.263 -19.188 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.348 7.581 -17.822 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.033 9.007 -18.791 1.00 0.00 H new ATOM 0 HG SER A 59 -5.953 7.903 -19.451 1.00 0.00 H new ATOM 893 N SER A 60 -2.077 8.966 -20.987 1.00 0.00 N ATOM 894 CA SER A 60 -1.644 9.376 -22.319 1.00 0.00 C ATOM 895 C SER A 60 -0.464 10.338 -22.172 1.00 0.00 C ATOM 896 O SER A 60 -0.635 11.495 -21.785 1.00 0.00 O ATOM 897 CB SER A 60 -2.830 9.961 -23.100 1.00 0.00 C ATOM 898 OG SER A 60 -2.624 9.861 -24.499 1.00 0.00 O ATOM 0 H SER A 60 -2.192 9.742 -20.335 1.00 0.00 H new ATOM 0 HA SER A 60 -1.296 8.524 -22.904 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.744 9.434 -22.826 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.970 11.006 -22.824 1.00 0.00 H new ATOM 0 HG SER A 60 -3.395 10.239 -24.971 1.00 0.00 H new ATOM 904 N SER A 61 0.751 9.851 -22.428 1.00 0.00 N ATOM 905 CA SER A 61 1.998 10.597 -22.331 1.00 0.00 C ATOM 906 C SER A 61 2.895 10.149 -23.474 1.00 0.00 C ATOM 907 O SER A 61 3.419 9.037 -23.428 1.00 0.00 O ATOM 908 CB SER A 61 2.636 10.316 -20.962 1.00 0.00 C ATOM 909 OG SER A 61 3.942 10.855 -20.832 1.00 0.00 O ATOM 0 H SER A 61 0.895 8.885 -22.721 1.00 0.00 H new ATOM 0 HA SER A 61 1.836 11.672 -22.410 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.000 10.730 -20.180 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.677 9.239 -20.802 1.00 0.00 H new ATOM 0 HG SER A 61 4.600 10.197 -21.141 1.00 0.00 H new ATOM 915 N LYS A 62 3.123 10.999 -24.484 1.00 0.00 N ATOM 916 CA LYS A 62 4.080 10.634 -25.536 1.00 0.00 C ATOM 917 C LYS A 62 5.492 10.446 -24.995 1.00 0.00 C ATOM 918 O LYS A 62 6.293 9.755 -25.618 1.00 0.00 O ATOM 919 CB LYS A 62 4.124 11.653 -26.680 1.00 0.00 C ATOM 920 CG LYS A 62 2.778 11.764 -27.401 1.00 0.00 C ATOM 921 CD LYS A 62 2.894 11.770 -28.930 1.00 0.00 C ATOM 922 CE LYS A 62 2.842 10.353 -29.522 1.00 0.00 C ATOM 923 NZ LYS A 62 4.108 9.601 -29.449 1.00 0.00 N ATOM 0 H LYS A 62 2.677 11.910 -24.595 1.00 0.00 H new ATOM 0 HA LYS A 62 3.715 9.684 -25.927 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.405 12.629 -26.285 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.895 11.363 -27.394 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.144 10.931 -27.097 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.279 12.678 -27.080 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.086 12.368 -29.352 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.829 12.249 -29.220 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.070 9.786 -29.002 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.538 10.423 -30.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.977 8.660 -29.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.847 10.114 -29.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.394 9.498 -28.454 1.00 0.00 H new ATOM 937 N ARG A 63 5.847 11.077 -23.873 1.00 0.00 N ATOM 938 CA ARG A 63 7.132 10.807 -23.242 1.00 0.00 C ATOM 939 C ARG A 63 7.016 9.516 -22.459 1.00 0.00 C ATOM 940 O ARG A 63 6.030 9.296 -21.743 1.00 0.00 O ATOM 941 CB ARG A 63 7.591 11.983 -22.381 1.00 0.00 C ATOM 942 CG ARG A 63 7.988 13.134 -23.313 1.00 0.00 C ATOM 943 CD ARG A 63 8.427 14.376 -22.541 1.00 0.00 C ATOM 944 NE ARG A 63 8.871 15.431 -23.461 1.00 0.00 N ATOM 945 CZ ARG A 63 8.121 16.142 -24.313 1.00 0.00 C ATOM 946 NH1 ARG A 63 6.792 16.076 -24.283 1.00 0.00 N ATOM 947 NH2 ARG A 63 8.735 16.911 -25.199 1.00 0.00 N ATOM 0 H ARG A 63 5.270 11.767 -23.392 1.00 0.00 H new ATOM 0 HA ARG A 63 7.904 10.687 -24.002 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.792 12.297 -21.709 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.436 11.690 -21.757 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.798 12.808 -23.965 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.144 13.387 -23.955 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.601 14.742 -21.932 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.236 14.118 -21.858 1.00 0.00 H new ATOM 0 HE ARG A 63 9.868 15.648 -23.450 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.326 15.476 -23.602 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.239 16.626 -24.941 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.754 16.951 -25.220 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.189 17.463 -25.860 1.00 0.00 H new ATOM 961 N ASN A 64 8.046 8.689 -22.593 1.00 0.00 N ATOM 962 CA ASN A 64 8.176 7.424 -21.886 1.00 0.00 C ATOM 963 C ASN A 64 8.260 7.725 -20.390 1.00 0.00 C ATOM 964 O ASN A 64 8.724 8.802 -19.995 1.00 0.00 O ATOM 965 CB ASN A 64 9.449 6.679 -22.328 1.00 0.00 C ATOM 966 CG ASN A 64 9.573 6.407 -23.829 1.00 0.00 C ATOM 967 OD1 ASN A 64 8.678 6.682 -24.628 1.00 0.00 O ATOM 968 ND2 ASN A 64 10.701 5.876 -24.252 1.00 0.00 N ATOM 0 H ASN A 64 8.832 8.886 -23.212 1.00 0.00 H new ATOM 0 HA ASN A 64 7.316 6.792 -22.109 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.316 7.259 -22.010 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.492 5.726 -21.800 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.836 5.691 -25.246 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.440 5.650 -23.586 1.00 0.00 H new ATOM 975 N ARG A 65 7.861 6.784 -19.535 1.00 0.00 N ATOM 976 CA ARG A 65 8.124 6.910 -18.107 1.00 0.00 C ATOM 977 C ARG A 65 9.591 6.572 -17.864 1.00 0.00 C ATOM 978 O ARG A 65 10.021 5.468 -18.197 1.00 0.00 O ATOM 979 CB ARG A 65 7.167 6.025 -17.281 1.00 0.00 C ATOM 980 CG ARG A 65 6.890 6.638 -15.895 1.00 0.00 C ATOM 981 CD ARG A 65 5.921 7.825 -15.987 1.00 0.00 C ATOM 982 NE ARG A 65 5.878 8.625 -14.747 1.00 0.00 N ATOM 983 CZ ARG A 65 5.813 9.962 -14.662 1.00 0.00 C ATOM 984 NH1 ARG A 65 5.919 10.730 -15.742 1.00 0.00 N ATOM 985 NH2 ARG A 65 5.597 10.540 -13.493 1.00 0.00 N ATOM 0 H ARG A 65 7.361 5.937 -19.804 1.00 0.00 H new ATOM 0 HA ARG A 65 7.937 7.932 -17.777 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.228 5.901 -17.820 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.600 5.032 -17.161 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.472 5.877 -15.236 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.828 6.967 -15.448 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.217 8.466 -16.818 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.920 7.455 -16.210 1.00 0.00 H new ATOM 0 HE ARG A 65 5.900 8.110 -13.867 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.053 10.304 -16.659 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.867 11.745 -15.653 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.480 9.969 -12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.548 11.557 -13.428 1.00 0.00 H new ATOM 999 N ARG A 66 10.353 7.503 -17.281 1.00 0.00 N ATOM 1000 CA ARG A 66 11.602 7.197 -16.571 1.00 0.00 C ATOM 1001 C ARG A 66 11.285 6.275 -15.375 1.00 0.00 C ATOM 1002 O ARG A 66 10.160 5.778 -15.281 1.00 0.00 O ATOM 1003 CB ARG A 66 12.289 8.527 -16.173 1.00 0.00 C ATOM 1004 CG ARG A 66 13.496 8.919 -17.044 1.00 0.00 C ATOM 1005 CD ARG A 66 13.211 8.965 -18.555 1.00 0.00 C ATOM 1006 NE ARG A 66 14.152 9.826 -19.302 1.00 0.00 N ATOM 1007 CZ ARG A 66 15.490 9.750 -19.365 1.00 0.00 C ATOM 1008 NH1 ARG A 66 16.148 8.771 -18.761 1.00 0.00 N ATOM 1009 NH2 ARG A 66 16.181 10.657 -20.042 1.00 0.00 N ATOM 0 H ARG A 66 10.120 8.496 -17.288 1.00 0.00 H new ATOM 0 HA ARG A 66 12.307 6.656 -17.203 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.551 9.328 -16.219 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.616 8.454 -15.136 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.854 9.898 -16.726 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.304 8.210 -16.862 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.258 7.953 -18.957 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.195 9.325 -18.715 1.00 0.00 H new ATOM 0 HE ARG A 66 13.727 10.579 -19.842 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.637 8.060 -18.238 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.165 8.729 -18.819 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.695 11.417 -20.518 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.198 10.594 -20.087 1.00 0.00 H new ATOM 1023 N HIS A 67 12.260 5.998 -14.501 1.00 0.00 N ATOM 1024 CA HIS A 67 12.069 5.126 -13.339 1.00 0.00 C ATOM 1025 C HIS A 67 10.765 5.458 -12.609 1.00 0.00 C ATOM 1026 O HIS A 67 10.520 6.620 -12.265 1.00 0.00 O ATOM 1027 CB HIS A 67 13.261 5.217 -12.386 1.00 0.00 C ATOM 1028 CG HIS A 67 14.439 4.332 -12.712 1.00 0.00 C ATOM 1029 ND1 HIS A 67 15.532 4.188 -11.896 1.00 0.00 N ATOM 1030 CD2 HIS A 67 14.606 3.488 -13.781 1.00 0.00 C ATOM 1031 CE1 HIS A 67 16.355 3.293 -12.455 1.00 0.00 C ATOM 1032 NE2 HIS A 67 15.828 2.824 -13.602 1.00 0.00 N ATOM 0 H HIS A 67 13.205 6.374 -14.581 1.00 0.00 H new ATOM 0 HA HIS A 67 12.000 4.100 -13.701 1.00 0.00 H new ATOM 0 HB2 HIS A 67 13.604 6.251 -12.364 1.00 0.00 H new ATOM 0 HB3 HIS A 67 12.916 4.974 -11.381 1.00 0.00 H new ATOM 0 HD2 HIS A 67 13.923 3.359 -14.607 1.00 0.00 H new ATOM 0 HE1 HIS A 67 17.307 2.990 -12.044 1.00 0.00 H new ATOM 0 HE2 HIS A 67 16.237 2.123 -14.220 1.00 0.00 H new ATOM 1040 N ILE A 68 9.914 4.441 -12.452 1.00 0.00 N ATOM 1041 CA ILE A 68 8.546 4.599 -11.989 1.00 0.00 C ATOM 1042 C ILE A 68 8.574 5.000 -10.521 1.00 0.00 C ATOM 1043 O ILE A 68 9.165 4.330 -9.673 1.00 0.00 O ATOM 1044 CB ILE A 68 7.698 3.334 -12.262 1.00 0.00 C ATOM 1045 CG1 ILE A 68 7.600 3.140 -13.793 1.00 0.00 C ATOM 1046 CG2 ILE A 68 6.292 3.446 -11.633 1.00 0.00 C ATOM 1047 CD1 ILE A 68 6.650 2.033 -14.251 1.00 0.00 C ATOM 0 H ILE A 68 10.167 3.472 -12.648 1.00 0.00 H new ATOM 0 HA ILE A 68 8.053 5.392 -12.551 1.00 0.00 H new ATOM 0 HB ILE A 68 8.179 2.470 -11.803 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.280 4.080 -14.242 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.596 2.925 -14.180 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.725 2.540 -11.845 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.385 3.572 -10.554 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.772 4.306 -12.055 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.653 1.978 -15.340 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.978 1.079 -13.839 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.641 2.252 -13.902 1.00 0.00 H new ATOM 1059 N GLU A 69 7.886 6.100 -10.248 1.00 0.00 N ATOM 1060 CA GLU A 69 7.657 6.675 -8.939 1.00 0.00 C ATOM 1061 C GLU A 69 6.654 5.787 -8.209 1.00 0.00 C ATOM 1062 O GLU A 69 5.436 5.945 -8.308 1.00 0.00 O ATOM 1063 CB GLU A 69 7.198 8.121 -9.133 1.00 0.00 C ATOM 1064 CG GLU A 69 8.403 8.949 -9.611 1.00 0.00 C ATOM 1065 CD GLU A 69 7.977 10.217 -10.350 1.00 0.00 C ATOM 1066 OE1 GLU A 69 7.295 10.099 -11.398 1.00 0.00 O ATOM 1067 OE2 GLU A 69 8.267 11.346 -9.897 1.00 0.00 O ATOM 0 H GLU A 69 7.446 6.647 -10.988 1.00 0.00 H new ATOM 0 HA GLU A 69 8.553 6.713 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.391 8.168 -9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.807 8.524 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.018 9.220 -8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.023 8.339 -10.268 1.00 0.00 H new ATOM 1074 N LYS A 70 7.212 4.785 -7.537 1.00 0.00 N ATOM 1075 CA LYS A 70 6.507 3.856 -6.660 1.00 0.00 C ATOM 1076 C LYS A 70 6.519 4.441 -5.261 1.00 0.00 C ATOM 1077 O LYS A 70 7.604 4.723 -4.747 1.00 0.00 O ATOM 1078 CB LYS A 70 7.207 2.487 -6.628 1.00 0.00 C ATOM 1079 CG LYS A 70 6.966 1.621 -7.870 1.00 0.00 C ATOM 1080 CD LYS A 70 7.489 0.198 -7.632 1.00 0.00 C ATOM 1081 CE LYS A 70 7.644 -0.533 -8.968 1.00 0.00 C ATOM 1082 NZ LYS A 70 8.418 -1.782 -8.829 1.00 0.00 N ATOM 0 H LYS A 70 8.212 4.590 -7.591 1.00 0.00 H new ATOM 0 HA LYS A 70 5.491 3.714 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.279 2.644 -6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.868 1.940 -5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.901 1.591 -8.101 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.467 2.061 -8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.448 0.236 -7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.801 -0.348 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.658 -0.761 -9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.139 0.122 -9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.499 -2.245 -9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.368 -1.563 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.933 -2.419 -8.165 1.00 0.00 H new ATOM 1096 N LYS A 71 5.364 4.590 -4.618 1.00 0.00 N ATOM 1097 CA LYS A 71 5.285 4.964 -3.206 1.00 0.00 C ATOM 1098 C LYS A 71 4.694 3.813 -2.410 1.00 0.00 C ATOM 1099 O LYS A 71 4.158 2.863 -2.985 1.00 0.00 O ATOM 1100 CB LYS A 71 4.455 6.245 -3.016 1.00 0.00 C ATOM 1101 CG LYS A 71 5.263 7.464 -2.577 1.00 0.00 C ATOM 1102 CD LYS A 71 5.808 7.282 -1.152 1.00 0.00 C ATOM 1103 CE LYS A 71 6.658 8.482 -0.745 1.00 0.00 C ATOM 1104 NZ LYS A 71 7.217 8.313 0.610 1.00 0.00 N ATOM 0 H LYS A 71 4.455 4.455 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 71 6.291 5.172 -2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.950 6.478 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.679 6.053 -2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.090 7.624 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.636 8.354 -2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.980 7.162 -0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.405 6.372 -1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.469 8.614 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.052 9.387 -0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.789 9.146 0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.441 8.211 1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.815 7.462 0.635 1.00 0.00 H new ATOM 1118 N ILE A 72 4.784 3.905 -1.087 1.00 0.00 N ATOM 1119 CA ILE A 72 4.260 2.939 -0.139 1.00 0.00 C ATOM 1120 C ILE A 72 3.389 3.703 0.856 1.00 0.00 C ATOM 1121 O ILE A 72 3.518 4.925 1.011 1.00 0.00 O ATOM 1122 CB ILE A 72 5.425 2.157 0.528 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.400 1.506 -0.459 1.00 0.00 C ATOM 1124 CG2 ILE A 72 4.964 1.127 1.577 1.00 0.00 C ATOM 1125 CD1 ILE A 72 5.755 0.483 -1.343 1.00 0.00 C ATOM 0 H ILE A 72 5.246 4.692 -0.630 1.00 0.00 H new ATOM 0 HA ILE A 72 3.644 2.184 -0.627 1.00 0.00 H new ATOM 0 HB ILE A 72 5.974 2.941 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.849 2.281 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.210 1.035 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.834 0.622 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.420 1.636 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.312 0.393 1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.501 0.062 -2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.330 -0.312 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.964 0.953 -1.927 1.00 0.00 H new ATOM 1137 N LEU A 73 2.498 2.973 1.520 1.00 0.00 N ATOM 1138 CA LEU A 73 1.746 3.393 2.684 1.00 0.00 C ATOM 1139 C LEU A 73 1.756 2.256 3.691 1.00 0.00 C ATOM 1140 O LEU A 73 1.908 1.080 3.335 1.00 0.00 O ATOM 1141 CB LEU A 73 0.306 3.717 2.301 1.00 0.00 C ATOM 1142 CG LEU A 73 0.136 5.163 1.851 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -0.942 5.208 0.806 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.340 6.111 2.946 1.00 0.00 C ATOM 0 H LEU A 73 2.273 2.019 1.239 1.00 0.00 H new ATOM 0 HA LEU A 73 2.200 4.288 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.013 3.050 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.346 3.526 3.153 1.00 0.00 H new ATOM 0 HG LEU A 73 1.121 5.482 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.080 6.236 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.654 4.585 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.875 4.836 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.434 7.118 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.309 5.778 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.382 6.115 3.763 1.00 0.00 H new ATOM 1156 N THR A 74 1.498 2.640 4.932 1.00 0.00 N ATOM 1157 CA THR A 74 1.518 1.801 6.107 1.00 0.00 C ATOM 1158 C THR A 74 0.152 1.918 6.765 1.00 0.00 C ATOM 1159 O THR A 74 -0.418 3.015 6.808 1.00 0.00 O ATOM 1160 CB THR A 74 2.640 2.334 7.004 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.878 1.936 6.454 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.536 1.867 8.448 1.00 0.00 C ATOM 0 H THR A 74 1.255 3.606 5.152 1.00 0.00 H new ATOM 0 HA THR A 74 1.706 0.749 5.893 1.00 0.00 H new ATOM 0 HB THR A 74 2.552 3.420 7.034 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.608 2.271 7.015 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.362 2.282 9.025 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.591 2.205 8.873 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.580 0.778 8.482 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.340 0.793 7.284 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.599 0.700 7.998 1.00 0.00 C ATOM 1172 C PHE A 75 -1.415 -0.348 9.080 1.00 0.00 C ATOM 1173 O PHE A 75 -1.288 -1.531 8.765 1.00 0.00 O ATOM 1174 CB PHE A 75 -2.706 0.295 7.019 1.00 0.00 C ATOM 1175 CG PHE A 75 -2.877 1.285 5.896 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.489 2.522 6.160 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.296 1.035 4.641 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.537 3.511 5.165 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.356 2.018 3.645 1.00 0.00 C ATOM 1180 CZ PHE A 75 -2.978 3.247 3.904 1.00 0.00 C ATOM 0 H PHE A 75 0.146 -0.101 7.213 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.884 1.652 8.445 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.476 -0.686 6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.647 0.199 7.560 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.923 2.712 7.130 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.807 0.092 4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.999 4.466 5.367 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.922 1.828 2.675 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.028 3.997 3.128 1.00 0.00 H new ATOM 1190 N GLN A 76 -1.272 0.038 10.342 1.00 0.00 N ATOM 1191 CA GLN A 76 -1.299 -0.928 11.424 1.00 0.00 C ATOM 1192 C GLN A 76 -2.747 -1.346 11.714 1.00 0.00 C ATOM 1193 O GLN A 76 -3.691 -0.820 11.116 1.00 0.00 O ATOM 1194 CB GLN A 76 -0.617 -0.327 12.659 1.00 0.00 C ATOM 1195 CG GLN A 76 0.847 0.081 12.414 1.00 0.00 C ATOM 1196 CD GLN A 76 1.088 1.457 11.793 1.00 0.00 C ATOM 1197 OE1 GLN A 76 0.174 2.245 11.567 1.00 0.00 O ATOM 1198 NE2 GLN A 76 2.339 1.811 11.547 1.00 0.00 N ATOM 0 H GLN A 76 -1.137 1.005 10.636 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.750 -1.826 11.140 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.180 0.547 12.986 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.653 -1.051 13.473 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.374 0.042 13.367 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.304 -0.668 11.767 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.100 1.158 11.734 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.542 2.737 11.170 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.917 -2.304 12.626 1.00 0.00 N ATOM 1208 CA GLY A 77 -4.209 -2.773 13.094 1.00 0.00 C ATOM 1209 C GLY A 77 -4.955 -3.609 12.059 1.00 0.00 C ATOM 1210 O GLY A 77 -4.709 -3.548 10.851 1.00 0.00 O ATOM 0 H GLY A 77 -2.133 -2.785 13.068 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.068 -3.366 13.997 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.822 -1.915 13.369 1.00 0.00 H new ATOM 1214 N SER A 78 -5.920 -4.382 12.544 1.00 0.00 N ATOM 1215 CA SER A 78 -6.774 -5.259 11.750 1.00 0.00 C ATOM 1216 C SER A 78 -7.889 -4.511 10.997 1.00 0.00 C ATOM 1217 O SER A 78 -8.882 -5.132 10.605 1.00 0.00 O ATOM 1218 CB SER A 78 -7.314 -6.345 12.683 1.00 0.00 C ATOM 1219 OG SER A 78 -6.286 -7.243 13.046 1.00 0.00 O ATOM 0 H SER A 78 -6.138 -4.417 13.540 1.00 0.00 H new ATOM 0 HA SER A 78 -6.184 -5.711 10.953 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.737 -5.887 13.577 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.121 -6.887 12.190 1.00 0.00 H new ATOM 0 HG SER A 78 -6.648 -7.930 13.644 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.739 -3.198 10.766 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.540 -2.436 9.822 1.00 0.00 C ATOM 1227 C LYS A 79 -8.618 -3.148 8.476 1.00 0.00 C ATOM 1228 O LYS A 79 -7.689 -3.849 8.071 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.869 -1.072 9.609 1.00 0.00 C ATOM 1230 CG LYS A 79 -8.363 0.031 10.531 1.00 0.00 C ATOM 1231 CD LYS A 79 -8.089 -0.167 12.023 1.00 0.00 C ATOM 1232 CE LYS A 79 -8.504 1.133 12.717 1.00 0.00 C ATOM 1233 NZ LYS A 79 -8.373 1.055 14.182 1.00 0.00 N ATOM 0 H LYS A 79 -7.039 -2.632 11.246 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.548 -2.326 10.222 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.794 -1.186 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.028 -0.762 8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.905 0.970 10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.439 0.139 10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.656 -1.013 12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.035 -0.381 12.199 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.890 1.953 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.537 1.365 12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.666 1.959 14.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.978 0.291 14.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.382 0.860 14.432 1.00 0.00 H new ATOM 1247 N THR A 80 -9.689 -2.860 7.744 1.00 0.00 N ATOM 1248 CA THR A 80 -9.932 -3.416 6.422 1.00 0.00 C ATOM 1249 C THR A 80 -10.017 -2.312 5.365 1.00 0.00 C ATOM 1250 O THR A 80 -10.404 -2.565 4.231 1.00 0.00 O ATOM 1251 CB THR A 80 -11.154 -4.340 6.479 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.337 -3.620 6.783 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.961 -5.438 7.528 1.00 0.00 C ATOM 0 H THR A 80 -10.422 -2.224 8.059 1.00 0.00 H new ATOM 0 HA THR A 80 -9.089 -4.032 6.108 1.00 0.00 H new ATOM 0 HB THR A 80 -11.256 -4.790 5.492 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.098 -4.237 6.810 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.842 -6.080 7.549 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.084 -6.033 7.274 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.820 -4.984 8.509 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.681 -1.074 5.727 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.564 0.038 4.805 1.00 0.00 C ATOM 1263 C HIS A 81 -8.460 0.971 5.288 1.00 0.00 C ATOM 1264 O HIS A 81 -7.973 0.848 6.418 1.00 0.00 O ATOM 1265 CB HIS A 81 -10.910 0.760 4.611 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.539 1.400 5.824 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -12.563 2.313 5.761 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -11.230 1.219 7.146 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -12.899 2.652 7.013 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -12.100 2.018 7.891 1.00 0.00 N ATOM 0 H HIS A 81 -9.479 -0.818 6.694 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.289 -0.336 3.819 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.771 1.534 3.857 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.621 0.042 4.203 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -12.993 2.671 4.908 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.456 0.577 7.540 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -13.694 3.333 7.278 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.056 1.885 4.419 1.00 0.00 N ATOM 1279 CA GLY A 82 -7.005 2.869 4.598 1.00 0.00 C ATOM 1280 C GLY A 82 -7.221 3.964 3.561 1.00 0.00 C ATOM 1281 O GLY A 82 -8.263 3.986 2.897 1.00 0.00 O ATOM 0 H GLY A 82 -8.490 1.962 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.036 3.284 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.024 2.410 4.472 1.00 0.00 H new ATOM 1285 N MET A 83 -6.269 4.886 3.418 1.00 0.00 N ATOM 1286 CA MET A 83 -6.401 6.007 2.496 1.00 0.00 C ATOM 1287 C MET A 83 -5.095 6.258 1.759 1.00 0.00 C ATOM 1288 O MET A 83 -4.029 5.885 2.240 1.00 0.00 O ATOM 1289 CB MET A 83 -6.829 7.282 3.236 1.00 0.00 C ATOM 1290 CG MET A 83 -8.086 7.101 4.089 1.00 0.00 C ATOM 1291 SD MET A 83 -8.984 8.640 4.366 1.00 0.00 S ATOM 1292 CE MET A 83 -10.015 8.592 2.881 1.00 0.00 C ATOM 0 H MET A 83 -5.390 4.875 3.936 1.00 0.00 H new ATOM 0 HA MET A 83 -7.172 5.746 1.771 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.011 7.613 3.875 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.005 8.073 2.507 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.748 6.384 3.602 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.806 6.673 5.052 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.568 9.527 2.791 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.383 8.458 2.003 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.717 7.761 2.952 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.176 6.945 0.624 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.072 7.371 -0.223 1.00 0.00 C ATOM 1304 C LEU A 84 -4.007 8.898 -0.156 1.00 0.00 C ATOM 1305 O LEU A 84 -4.578 9.550 -1.028 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.309 6.862 -1.666 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.637 5.535 -2.035 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.137 5.706 -2.238 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.911 4.441 -1.015 1.00 0.00 C ATOM 0 H LEU A 84 -6.078 7.238 0.248 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.120 6.959 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.383 6.756 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.961 7.627 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.081 5.221 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.693 4.745 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.958 6.419 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.685 6.077 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.412 3.522 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.533 4.749 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.985 4.266 -0.949 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.394 9.493 0.880 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.185 10.931 0.953 1.00 0.00 C ATOM 1323 C PRO A 85 -1.914 11.342 0.200 1.00 0.00 C ATOM 1324 O PRO A 85 -0.967 10.557 0.080 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.049 11.219 2.449 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.359 9.961 2.980 1.00 0.00 C ATOM 1327 CD PRO A 85 -2.939 8.852 2.102 1.00 0.00 C ATOM 0 HA PRO A 85 -4.000 11.491 0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.456 12.114 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.019 11.376 2.920 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.275 10.025 2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.578 9.796 4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.186 8.094 1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.763 8.348 2.607 1.00 0.00 H new ATOM 1335 N GLY A 86 -1.854 12.602 -0.238 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.700 13.157 -0.937 1.00 0.00 C ATOM 1337 C GLY A 86 -0.707 12.852 -2.437 1.00 0.00 C ATOM 1338 O GLY A 86 0.338 12.971 -3.085 1.00 0.00 O ATOM 0 H GLY A 86 -2.615 13.270 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.679 14.237 -0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.213 12.758 -0.495 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.847 12.446 -3.001 1.00 0.00 N ATOM 1343 CA LEU A 87 -1.987 12.030 -4.392 1.00 0.00 C ATOM 1344 C LEU A 87 -2.376 13.221 -5.272 1.00 0.00 C ATOM 1345 O LEU A 87 -2.643 14.310 -4.758 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.045 10.919 -4.471 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.562 9.488 -4.154 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -1.690 8.899 -5.258 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -1.749 9.396 -2.858 1.00 0.00 C ATOM 0 H LEU A 87 -2.724 12.397 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.035 11.648 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.853 11.167 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.469 10.922 -5.475 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.489 8.923 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.381 7.892 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.257 8.860 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.808 9.524 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.441 8.363 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.866 10.030 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.361 9.729 -2.020 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.413 13.018 -6.590 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.676 14.049 -7.590 1.00 0.00 C ATOM 1363 C GLU A 88 -3.987 13.777 -8.348 1.00 0.00 C ATOM 1364 O GLU A 88 -4.306 12.616 -8.646 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.514 14.101 -8.593 1.00 0.00 C ATOM 1366 CG GLU A 88 -0.357 15.006 -8.162 1.00 0.00 C ATOM 1367 CD GLU A 88 -0.337 16.307 -8.959 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -0.151 16.249 -10.200 1.00 0.00 O ATOM 1369 OE2 GLU A 88 -0.442 17.392 -8.337 1.00 0.00 O ATOM 0 H GLU A 88 -2.255 12.099 -7.003 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.771 15.003 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.134 13.091 -8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.893 14.447 -9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.446 15.231 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.588 14.480 -8.299 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.730 14.834 -8.715 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.919 14.716 -9.540 1.00 0.00 C ATOM 1378 C PRO A 89 -5.608 14.353 -11.003 1.00 0.00 C ATOM 1379 O PRO A 89 -4.448 14.245 -11.414 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.656 16.047 -9.417 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.694 17.018 -8.739 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.438 16.225 -8.410 1.00 0.00 C ATOM 0 HA PRO A 89 -6.539 13.890 -9.192 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.953 16.418 -10.398 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.568 15.932 -8.831 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.462 17.856 -9.396 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.137 17.435 -7.835 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.591 16.580 -8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.170 16.343 -7.360 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.689 14.164 -11.764 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.817 13.883 -13.189 1.00 0.00 C ATOM 1392 C PHE A 90 -5.751 12.925 -13.732 1.00 0.00 C ATOM 1393 O PHE A 90 -5.163 13.152 -14.796 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.965 15.207 -13.958 1.00 0.00 C ATOM 1395 CG PHE A 90 -7.641 15.072 -15.307 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -8.983 14.648 -15.391 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -6.931 15.374 -16.484 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -9.610 14.527 -16.642 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -7.561 15.243 -17.734 1.00 0.00 C ATOM 1400 CZ PHE A 90 -8.899 14.826 -17.816 1.00 0.00 C ATOM 0 H PHE A 90 -7.613 14.212 -11.334 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.731 13.313 -13.353 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.536 15.907 -13.347 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.976 15.642 -14.102 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.531 14.415 -14.490 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.905 15.706 -16.427 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.639 14.204 -16.701 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.012 15.465 -18.637 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.380 14.735 -18.779 1.00 0.00 H new ATOM 1410 N SER A 91 -5.528 11.830 -13.006 1.00 0.00 N ATOM 1411 CA SER A 91 -4.500 10.831 -13.255 1.00 0.00 C ATOM 1412 C SER A 91 -5.074 9.421 -13.120 1.00 0.00 C ATOM 1413 O SER A 91 -6.212 9.251 -12.684 1.00 0.00 O ATOM 1414 CB SER A 91 -3.382 11.037 -12.233 1.00 0.00 C ATOM 1415 OG SER A 91 -2.817 12.317 -12.385 1.00 0.00 O ATOM 0 H SER A 91 -6.092 11.608 -12.186 1.00 0.00 H new ATOM 0 HA SER A 91 -4.117 10.942 -14.269 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.776 10.923 -11.223 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.614 10.274 -12.364 1.00 0.00 H new ATOM 0 HG SER A 91 -3.410 12.986 -11.983 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.257 8.419 -13.444 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.514 6.996 -13.267 1.00 0.00 C ATOM 1423 C HIS A 92 -3.402 6.445 -12.358 1.00 0.00 C ATOM 1424 O HIS A 92 -2.297 6.999 -12.348 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.533 6.365 -14.673 1.00 0.00 C ATOM 1426 CG HIS A 92 -4.843 4.891 -14.764 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -4.379 4.047 -15.751 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -5.700 4.169 -13.976 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -4.944 2.845 -15.560 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -5.709 2.857 -14.459 1.00 0.00 N ATOM 0 H HIS A 92 -3.343 8.593 -13.862 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.468 6.771 -12.791 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -5.267 6.902 -15.274 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.559 6.534 -15.132 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -3.724 4.292 -16.493 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.265 4.544 -13.136 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.802 1.989 -16.203 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.680 5.378 -11.601 1.00 0.00 N ATOM 1439 CA TYR A 93 -2.783 4.803 -10.595 1.00 0.00 C ATOM 1440 C TYR A 93 -2.908 3.288 -10.555 1.00 0.00 C ATOM 1441 O TYR A 93 -3.939 2.755 -10.970 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.180 5.322 -9.209 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.962 6.802 -9.045 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -1.698 7.270 -8.645 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -4.001 7.703 -9.338 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -1.462 8.648 -8.549 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -3.769 9.083 -9.243 1.00 0.00 C ATOM 1448 CZ TYR A 93 -2.501 9.557 -8.841 1.00 0.00 C ATOM 1449 OH TYR A 93 -2.270 10.886 -8.724 1.00 0.00 O ATOM 0 H TYR A 93 -4.564 4.875 -11.675 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.763 5.087 -10.856 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.231 5.094 -9.030 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.605 4.790 -8.451 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.910 6.569 -8.412 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.972 7.335 -9.634 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -0.489 9.013 -8.253 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.559 9.782 -9.477 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.124 11.365 -8.696 1.00 0.00 H new ATOM 1459 N THR A 94 -1.919 2.600 -9.986 1.00 0.00 N ATOM 1460 CA THR A 94 -2.077 1.217 -9.519 1.00 0.00 C ATOM 1461 C THR A 94 -1.687 1.188 -8.039 1.00 0.00 C ATOM 1462 O THR A 94 -0.741 1.881 -7.666 1.00 0.00 O ATOM 1463 CB THR A 94 -1.216 0.252 -10.361 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.442 0.445 -11.747 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.491 -1.229 -10.068 1.00 0.00 C ATOM 0 H THR A 94 -0.986 2.982 -9.834 1.00 0.00 H new ATOM 0 HA THR A 94 -3.108 0.883 -9.635 1.00 0.00 H new ATOM 0 HB THR A 94 -0.188 0.486 -10.084 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.884 -0.177 -12.259 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.851 -1.849 -10.695 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.282 -1.437 -9.019 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.536 -1.454 -10.281 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.392 0.417 -7.202 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.057 0.131 -5.809 1.00 0.00 C ATOM 1475 C LEU A 95 -2.413 -1.313 -5.469 1.00 0.00 C ATOM 1476 O LEU A 95 -3.342 -1.875 -6.046 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.727 1.097 -4.825 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.268 1.150 -4.702 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.039 1.036 -6.013 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.822 0.119 -3.711 1.00 0.00 C ATOM 0 H LEU A 95 -3.253 -0.045 -7.496 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.982 0.275 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.333 0.871 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.390 2.102 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.435 2.159 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.109 1.085 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.757 1.856 -6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.803 0.086 -6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.908 0.204 -3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.549 -0.884 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.403 0.304 -2.722 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.720 -1.902 -4.496 1.00 0.00 N ATOM 1493 CA ASN A 96 -1.790 -3.332 -4.183 1.00 0.00 C ATOM 1494 C ASN A 96 -1.693 -3.470 -2.669 1.00 0.00 C ATOM 1495 O ASN A 96 -0.765 -2.905 -2.088 1.00 0.00 O ATOM 1496 CB ASN A 96 -0.645 -4.146 -4.844 1.00 0.00 C ATOM 1497 CG ASN A 96 -0.109 -3.596 -6.168 1.00 0.00 C ATOM 1498 OD1 ASN A 96 -0.869 -3.239 -7.054 1.00 0.00 O ATOM 1499 ND2 ASN A 96 1.198 -3.477 -6.347 1.00 0.00 N ATOM 0 H ASN A 96 -1.080 -1.389 -3.889 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.726 -3.730 -4.574 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.183 -4.210 -4.138 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -0.999 -5.163 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.560 -3.090 -7.219 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.842 -3.772 -5.613 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.599 -4.215 -2.029 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.589 -4.431 -0.583 1.00 0.00 C ATOM 1508 C VAL A 97 -1.733 -5.671 -0.299 1.00 0.00 C ATOM 1509 O VAL A 97 -1.690 -6.607 -1.107 1.00 0.00 O ATOM 1510 CB VAL A 97 -4.030 -4.595 -0.040 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -4.064 -4.641 1.494 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.968 -3.465 -0.494 1.00 0.00 C ATOM 0 H VAL A 97 -3.366 -4.689 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.162 -3.568 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.378 -5.542 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.094 -4.757 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.470 -5.484 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.653 -3.715 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.964 -3.632 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.585 -2.509 -0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.022 -3.452 -1.583 1.00 0.00 H new ATOM 1522 N ARG A 98 -1.040 -5.697 0.844 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.159 -6.795 1.219 1.00 0.00 C ATOM 1524 C ARG A 98 -0.190 -7.008 2.735 1.00 0.00 C ATOM 1525 O ARG A 98 0.032 -6.045 3.470 1.00 0.00 O ATOM 1526 CB ARG A 98 1.240 -6.496 0.659 1.00 0.00 C ATOM 1527 CG ARG A 98 2.058 -7.770 0.424 1.00 0.00 C ATOM 1528 CD ARG A 98 3.208 -7.473 -0.543 1.00 0.00 C ATOM 1529 NE ARG A 98 3.856 -8.722 -0.947 1.00 0.00 N ATOM 1530 CZ ARG A 98 3.978 -9.247 -2.167 1.00 0.00 C ATOM 1531 NH1 ARG A 98 3.675 -8.544 -3.252 1.00 0.00 N ATOM 1532 NH2 ARG A 98 4.397 -10.498 -2.278 1.00 0.00 N ATOM 0 H ARG A 98 -1.079 -4.949 1.536 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.492 -7.740 0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.144 -5.951 -0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.775 -5.846 1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.452 -8.141 1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.420 -8.554 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 98 2.830 -6.949 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.934 -6.814 -0.067 1.00 0.00 H new ATOM 0 HE ARG A 98 4.272 -9.266 -0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.342 -7.584 -3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.775 -8.964 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.618 -11.038 -1.441 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.498 -10.922 -3.200 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.508 -8.210 3.222 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.492 -8.504 4.657 1.00 0.00 C ATOM 1548 C VAL A 99 0.957 -8.513 5.167 1.00 0.00 C ATOM 1549 O VAL A 99 1.885 -8.858 4.430 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.220 -9.838 4.984 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.607 -10.004 4.336 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.395 -11.081 4.619 1.00 0.00 C ATOM 0 H VAL A 99 -0.782 -9.001 2.639 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.042 -7.718 5.175 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.350 -9.765 6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.031 -10.966 4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.264 -9.202 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.509 -9.962 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.959 -11.979 4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.182 -11.075 3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.542 -11.072 5.176 1.00 0.00 H new ATOM 1562 N VAL A 100 1.135 -8.202 6.451 1.00 0.00 N ATOM 1563 CA VAL A 100 2.406 -8.255 7.175 1.00 0.00 C ATOM 1564 C VAL A 100 2.147 -8.854 8.561 1.00 0.00 C ATOM 1565 O VAL A 100 1.039 -8.764 9.103 1.00 0.00 O ATOM 1566 CB VAL A 100 3.007 -6.833 7.244 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.271 -6.739 8.122 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.374 -6.325 5.837 1.00 0.00 C ATOM 0 H VAL A 100 0.363 -7.892 7.041 1.00 0.00 H new ATOM 0 HA VAL A 100 3.132 -8.888 6.666 1.00 0.00 H new ATOM 0 HB VAL A 100 2.229 -6.218 7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.637 -5.712 8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.029 -7.040 9.141 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.041 -7.399 7.722 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.795 -5.322 5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.108 -6.995 5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.479 -6.298 5.215 1.00 0.00 H new ATOM 1578 N ASN A 101 3.149 -9.507 9.143 1.00 0.00 N ATOM 1579 CA ASN A 101 3.155 -9.967 10.527 1.00 0.00 C ATOM 1580 C ASN A 101 4.575 -9.843 11.088 1.00 0.00 C ATOM 1581 O ASN A 101 5.437 -9.205 10.480 1.00 0.00 O ATOM 1582 CB ASN A 101 2.583 -11.386 10.650 1.00 0.00 C ATOM 1583 CG ASN A 101 3.401 -12.443 9.918 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.622 -12.378 9.829 1.00 0.00 O ATOM 1585 ND2 ASN A 101 2.743 -13.440 9.366 1.00 0.00 N ATOM 0 H ASN A 101 4.009 -9.738 8.646 1.00 0.00 H new ATOM 0 HA ASN A 101 2.498 -9.337 11.127 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.522 -11.653 11.705 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.565 -11.393 10.260 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.249 -14.166 8.859 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.727 -13.486 9.445 1.00 0.00 H new ATOM 1592 N GLY A 102 4.815 -10.384 12.281 1.00 0.00 N ATOM 1593 CA GLY A 102 6.072 -10.225 12.992 1.00 0.00 C ATOM 1594 C GLY A 102 7.210 -11.035 12.379 1.00 0.00 C ATOM 1595 O GLY A 102 8.365 -10.758 12.711 1.00 0.00 O ATOM 0 H GLY A 102 4.131 -10.951 12.783 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.347 -9.170 13.000 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.936 -10.527 14.030 1.00 0.00 H new ATOM 1599 N LYS A 103 6.909 -12.003 11.509 1.00 0.00 N ATOM 1600 CA LYS A 103 7.862 -12.920 10.898 1.00 0.00 C ATOM 1601 C LYS A 103 8.221 -12.503 9.470 1.00 0.00 C ATOM 1602 O LYS A 103 9.288 -12.890 8.989 1.00 0.00 O ATOM 1603 CB LYS A 103 7.240 -14.326 10.938 1.00 0.00 C ATOM 1604 CG LYS A 103 8.256 -15.458 10.747 1.00 0.00 C ATOM 1605 CD LYS A 103 9.394 -15.407 11.776 1.00 0.00 C ATOM 1606 CE LYS A 103 10.675 -14.943 11.083 1.00 0.00 C ATOM 1607 NZ LYS A 103 11.798 -14.737 12.013 1.00 0.00 N ATOM 0 H LYS A 103 5.951 -12.172 11.201 1.00 0.00 H new ATOM 0 HA LYS A 103 8.800 -12.906 11.453 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.734 -14.462 11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.479 -14.399 10.161 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.744 -16.418 10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.676 -15.399 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.137 -14.725 12.587 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.543 -16.391 12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.963 -15.681 10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.476 -14.012 10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.635 -14.423 11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.541 -14.012 12.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.012 -15.630 12.502 1.00 0.00 H new ATOM 1621 N GLY A 104 7.362 -11.744 8.785 1.00 0.00 N ATOM 1622 CA GLY A 104 7.578 -11.322 7.411 1.00 0.00 C ATOM 1623 C GLY A 104 6.265 -10.943 6.735 1.00 0.00 C ATOM 1624 O GLY A 104 5.306 -10.525 7.388 1.00 0.00 O ATOM 0 H GLY A 104 6.486 -11.404 9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.258 -10.470 7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.058 -12.126 6.853 1.00 0.00 H new ATOM 1628 N GLU A 105 6.234 -11.053 5.408 1.00 0.00 N ATOM 1629 CA GLU A 105 5.081 -10.763 4.563 1.00 0.00 C ATOM 1630 C GLU A 105 4.873 -11.897 3.552 1.00 0.00 C ATOM 1631 O GLU A 105 5.638 -12.865 3.533 1.00 0.00 O ATOM 1632 CB GLU A 105 5.221 -9.361 3.949 1.00 0.00 C ATOM 1633 CG GLU A 105 6.484 -9.088 3.129 1.00 0.00 C ATOM 1634 CD GLU A 105 6.366 -9.444 1.644 1.00 0.00 C ATOM 1635 OE1 GLU A 105 5.933 -8.559 0.867 1.00 0.00 O ATOM 1636 OE2 GLU A 105 6.812 -10.535 1.237 1.00 0.00 O ATOM 0 H GLU A 105 7.046 -11.359 4.872 1.00 0.00 H new ATOM 0 HA GLU A 105 4.164 -10.731 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.356 -9.183 3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.176 -8.631 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.738 -8.032 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.311 -9.652 3.560 1.00 0.00 H new ATOM 1643 N GLY A 106 3.775 -11.825 2.794 1.00 0.00 N ATOM 1644 CA GLY A 106 3.255 -12.920 1.976 1.00 0.00 C ATOM 1645 C GLY A 106 2.783 -12.457 0.601 1.00 0.00 C ATOM 1646 O GLY A 106 3.270 -11.438 0.104 1.00 0.00 O ATOM 0 H GLY A 106 3.209 -10.979 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 106 4.030 -13.676 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.425 -13.396 2.499 1.00 0.00 H new ATOM 1650 N PRO A 107 1.858 -13.199 -0.038 1.00 0.00 N ATOM 1651 CA PRO A 107 1.306 -12.824 -1.334 1.00 0.00 C ATOM 1652 C PRO A 107 0.496 -11.536 -1.220 1.00 0.00 C ATOM 1653 O PRO A 107 0.054 -11.160 -0.135 1.00 0.00 O ATOM 1654 CB PRO A 107 0.433 -14.005 -1.772 1.00 0.00 C ATOM 1655 CG PRO A 107 0.023 -14.674 -0.461 1.00 0.00 C ATOM 1656 CD PRO A 107 1.161 -14.360 0.506 1.00 0.00 C ATOM 0 HA PRO A 107 2.087 -12.625 -2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.437 -13.669 -2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.985 -14.692 -2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.926 -14.282 -0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.104 -15.749 -0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.775 -14.149 1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.837 -15.210 0.599 1.00 0.00 H new ATOM 1664 N ALA A 108 0.274 -10.876 -2.351 1.00 0.00 N ATOM 1665 CA ALA A 108 -0.453 -9.627 -2.486 1.00 0.00 C ATOM 1666 C ALA A 108 -1.912 -9.868 -2.843 1.00 0.00 C ATOM 1667 O ALA A 108 -2.275 -10.933 -3.343 1.00 0.00 O ATOM 1668 CB ALA A 108 0.178 -8.844 -3.622 1.00 0.00 C ATOM 0 H ALA A 108 0.618 -11.221 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.408 -9.091 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.348 -7.898 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.225 -8.649 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.111 -9.422 -4.544 1.00 0.00 H new ATOM 1674 N SER A 109 -2.735 -8.846 -2.632 1.00 0.00 N ATOM 1675 CA SER A 109 -4.124 -8.831 -3.058 1.00 0.00 C ATOM 1676 C SER A 109 -4.212 -8.796 -4.595 1.00 0.00 C ATOM 1677 O SER A 109 -3.175 -8.742 -5.271 1.00 0.00 O ATOM 1678 CB SER A 109 -4.752 -7.609 -2.381 1.00 0.00 C ATOM 1679 OG SER A 109 -4.350 -6.377 -2.973 1.00 0.00 O ATOM 0 H SER A 109 -2.448 -7.993 -2.152 1.00 0.00 H new ATOM 0 HA SER A 109 -4.667 -9.730 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.838 -7.692 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.479 -7.605 -1.326 1.00 0.00 H new ATOM 0 HG SER A 109 -4.758 -6.292 -3.860 1.00 0.00 H new ATOM 1685 N PRO A 110 -5.416 -8.711 -5.191 1.00 0.00 N ATOM 1686 CA PRO A 110 -5.530 -8.114 -6.508 1.00 0.00 C ATOM 1687 C PRO A 110 -4.907 -6.722 -6.477 1.00 0.00 C ATOM 1688 O PRO A 110 -5.220 -5.923 -5.588 1.00 0.00 O ATOM 1689 CB PRO A 110 -7.024 -8.063 -6.840 1.00 0.00 C ATOM 1690 CG PRO A 110 -7.716 -8.198 -5.487 1.00 0.00 C ATOM 1691 CD PRO A 110 -6.737 -9.048 -4.679 1.00 0.00 C ATOM 0 HA PRO A 110 -5.005 -8.688 -7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.290 -7.127 -7.331 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.309 -8.870 -7.515 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.885 -7.227 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.689 -8.681 -5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.813 -8.829 -3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.946 -10.111 -4.801 1.00 0.00 H new ATOM 1699 N ASP A 111 -4.027 -6.456 -7.440 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.589 -5.117 -7.807 1.00 0.00 C ATOM 1701 C ASP A 111 -4.841 -4.392 -8.284 1.00 0.00 C ATOM 1702 O ASP A 111 -5.616 -4.950 -9.073 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.551 -5.171 -8.942 1.00 0.00 C ATOM 1704 CG ASP A 111 -1.529 -6.289 -8.761 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -0.492 -6.150 -8.072 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -1.797 -7.388 -9.300 1.00 0.00 O ATOM 0 H ASP A 111 -3.589 -7.188 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.116 -4.612 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.067 -5.308 -9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.030 -4.215 -8.997 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.070 -3.176 -7.808 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.220 -2.357 -8.161 1.00 0.00 C ATOM 1713 C ARG A 112 -5.745 -1.117 -8.888 1.00 0.00 C ATOM 1714 O ARG A 112 -4.579 -0.740 -8.789 1.00 0.00 O ATOM 1715 CB ARG A 112 -7.012 -1.981 -6.905 1.00 0.00 C ATOM 1716 CG ARG A 112 -7.974 -3.102 -6.505 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.244 -3.075 -7.357 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.945 -4.368 -7.356 1.00 0.00 N ATOM 1719 CZ ARG A 112 -9.724 -5.390 -8.198 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -8.810 -5.303 -9.157 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -10.432 -6.505 -8.075 1.00 0.00 N ATOM 0 H ARG A 112 -4.442 -2.719 -7.146 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.881 -2.923 -8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.324 -1.778 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.572 -1.064 -7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.479 -4.066 -6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.238 -3.000 -5.452 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.914 -2.301 -6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -8.986 -2.805 -8.381 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.668 -4.501 -6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -8.262 -4.449 -9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -8.656 -6.090 -9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.139 -6.582 -7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -10.269 -7.285 -8.711 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.671 -0.451 -9.565 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.431 0.833 -10.191 1.00 0.00 C ATOM 1737 C VAL A 113 -7.546 1.785 -9.783 1.00 0.00 C ATOM 1738 O VAL A 113 -8.631 1.342 -9.395 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.239 0.686 -11.711 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.173 -0.370 -12.039 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.534 0.341 -12.441 1.00 0.00 C ATOM 0 H VAL A 113 -7.622 -0.796 -9.694 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.493 1.265 -9.843 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.906 1.662 -12.064 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.061 -0.450 -13.120 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.221 -0.076 -11.596 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.479 -1.334 -11.634 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.336 0.250 -13.509 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.924 -0.604 -12.063 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.267 1.130 -12.274 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.286 3.085 -9.886 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.285 4.127 -9.737 1.00 0.00 C ATOM 1753 C PHE A 114 -7.860 5.317 -10.597 1.00 0.00 C ATOM 1754 O PHE A 114 -6.662 5.509 -10.840 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.497 4.488 -8.251 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.306 4.985 -7.439 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.280 4.095 -7.065 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.307 6.288 -6.899 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.274 4.496 -6.168 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -6.318 6.670 -5.973 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.303 5.778 -5.610 1.00 0.00 C ATOM 0 H PHE A 114 -6.352 3.447 -10.080 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.258 3.782 -10.086 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.271 5.254 -8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.893 3.605 -7.750 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.266 3.094 -7.471 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.068 6.994 -7.197 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.478 3.813 -5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.343 7.659 -5.540 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.545 6.078 -4.902 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.828 6.106 -11.066 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.624 7.361 -11.762 1.00 0.00 C ATOM 1773 C ASN A 115 -9.111 8.482 -10.861 1.00 0.00 C ATOM 1774 O ASN A 115 -10.141 8.343 -10.198 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.384 7.394 -13.094 1.00 0.00 C ATOM 1776 CG ASN A 115 -10.894 7.594 -12.941 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.644 6.650 -12.717 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.400 8.813 -13.064 1.00 0.00 N ATOM 0 H ASN A 115 -9.815 5.871 -10.963 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.564 7.478 -11.989 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -8.982 8.197 -13.711 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.203 6.461 -13.628 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.405 8.960 -12.972 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.784 9.604 -13.250 1.00 0.00 H new ATOM 1785 N THR A 116 -8.412 9.607 -10.848 1.00 0.00 N ATOM 1786 CA THR A 116 -8.793 10.728 -10.002 1.00 0.00 C ATOM 1787 C THR A 116 -9.705 11.708 -10.751 1.00 0.00 C ATOM 1788 O THR A 116 -9.731 11.706 -11.988 1.00 0.00 O ATOM 1789 CB THR A 116 -7.545 11.354 -9.365 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.428 11.456 -10.227 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.122 10.500 -8.181 1.00 0.00 C ATOM 0 H THR A 116 -7.578 9.768 -11.413 1.00 0.00 H new ATOM 0 HA THR A 116 -9.404 10.377 -9.170 1.00 0.00 H new ATOM 0 HB THR A 116 -7.833 12.368 -9.088 1.00 0.00 H new ATOM 0 HG1 THR A 116 -6.090 10.559 -10.432 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.235 10.933 -7.718 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.931 10.463 -7.451 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.896 9.490 -8.523 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.501 12.512 -10.022 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.300 13.569 -10.601 1.00 0.00 C ATOM 1801 C PRO A 117 -10.366 14.733 -10.961 1.00 0.00 C ATOM 1802 O PRO A 117 -9.180 14.726 -10.629 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.322 13.905 -9.511 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.570 13.678 -8.205 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.420 12.747 -8.589 1.00 0.00 C ATOM 0 HA PRO A 117 -11.819 13.310 -11.524 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.670 14.935 -9.596 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.202 13.265 -9.580 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.201 14.616 -7.790 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.212 13.226 -7.449 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.461 13.196 -8.329 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -10.491 11.806 -8.043 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.886 15.720 -11.670 1.00 0.00 N ATOM 1814 CA GLU A 118 -10.134 16.716 -12.413 1.00 0.00 C ATOM 1815 C GLU A 118 -9.215 17.607 -11.555 1.00 0.00 C ATOM 1816 O GLU A 118 -8.113 17.964 -11.989 1.00 0.00 O ATOM 1817 CB GLU A 118 -11.155 17.521 -13.208 1.00 0.00 C ATOM 1818 CG GLU A 118 -10.472 18.378 -14.266 1.00 0.00 C ATOM 1819 CD GLU A 118 -11.495 19.349 -14.846 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -12.440 18.906 -15.536 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -11.438 20.551 -14.492 1.00 0.00 O ATOM 0 H GLU A 118 -11.894 15.855 -11.747 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.425 16.211 -13.069 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.864 16.845 -13.685 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.727 18.158 -12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.638 18.926 -13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.060 17.748 -15.054 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.639 17.942 -10.340 1.00 0.00 N ATOM 1829 CA GLY A 119 -8.862 18.684 -9.350 1.00 0.00 C ATOM 1830 C GLY A 119 -9.604 19.939 -8.932 1.00 0.00 C ATOM 1831 O GLY A 119 -10.628 19.828 -8.263 1.00 0.00 O ATOM 0 H GLY A 119 -10.570 17.695 -10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.676 18.056 -8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.890 18.949 -9.765 1.00 0.00 H new ATOM 1835 N SER A 120 -9.123 21.118 -9.319 1.00 0.00 N ATOM 1836 CA SER A 120 -9.894 22.352 -9.273 1.00 0.00 C ATOM 1837 C SER A 120 -9.568 23.093 -10.570 1.00 0.00 C ATOM 1838 O SER A 120 -8.419 23.069 -11.025 1.00 0.00 O ATOM 1839 CB SER A 120 -9.549 23.150 -8.011 1.00 0.00 C ATOM 1840 OG SER A 120 -10.556 24.098 -7.705 1.00 0.00 O ATOM 0 H SER A 120 -8.176 21.242 -9.677 1.00 0.00 H new ATOM 0 HA SER A 120 -10.968 22.177 -9.210 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.423 22.467 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 120 -8.597 23.662 -8.152 1.00 0.00 H new ATOM 0 HG SER A 120 -10.307 24.589 -6.894 1.00 0.00 H new ATOM 1846 N GLY A 121 -10.587 23.681 -11.193 1.00 0.00 N ATOM 1847 CA GLY A 121 -10.492 24.239 -12.533 1.00 0.00 C ATOM 1848 C GLY A 121 -9.761 25.581 -12.527 1.00 0.00 C ATOM 1849 O GLY A 121 -9.446 26.099 -11.449 1.00 0.00 O ATOM 0 H GLY A 121 -11.511 23.783 -10.773 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -9.967 23.540 -13.184 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.492 24.369 -12.946 1.00 0.00 H new ATOM 1853 N PRO A 122 -9.533 26.177 -13.707 1.00 0.00 N ATOM 1854 CA PRO A 122 -8.835 27.446 -13.841 1.00 0.00 C ATOM 1855 C PRO A 122 -9.655 28.580 -13.211 1.00 0.00 C ATOM 1856 O PRO A 122 -10.568 29.121 -13.838 1.00 0.00 O ATOM 1857 CB PRO A 122 -8.592 27.623 -15.346 1.00 0.00 C ATOM 1858 CG PRO A 122 -9.722 26.824 -15.994 1.00 0.00 C ATOM 1859 CD PRO A 122 -9.942 25.675 -15.012 1.00 0.00 C ATOM 0 HA PRO A 122 -7.884 27.466 -13.310 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -8.627 28.673 -15.636 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.614 27.243 -15.641 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -10.622 27.426 -16.118 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -9.443 26.461 -16.983 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -10.987 25.366 -15.001 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -9.355 24.802 -15.296 1.00 0.00 H new ATOM 1867 N SER A 123 -9.321 28.932 -11.972 1.00 0.00 N ATOM 1868 CA SER A 123 -9.723 30.143 -11.273 1.00 0.00 C ATOM 1869 C SER A 123 -8.525 30.604 -10.438 1.00 0.00 C ATOM 1870 O SER A 123 -7.608 29.823 -10.170 1.00 0.00 O ATOM 1871 CB SER A 123 -10.926 29.876 -10.353 1.00 0.00 C ATOM 1872 OG SER A 123 -12.078 29.500 -11.077 1.00 0.00 O ATOM 0 H SER A 123 -8.724 28.339 -11.395 1.00 0.00 H new ATOM 0 HA SER A 123 -10.022 30.906 -11.991 1.00 0.00 H new ATOM 0 HB2 SER A 123 -10.671 29.088 -9.644 1.00 0.00 H new ATOM 0 HB3 SER A 123 -11.141 30.772 -9.770 1.00 0.00 H new ATOM 0 HG SER A 123 -12.817 29.338 -10.454 1.00 0.00 H new ATOM 1878 N SER A 124 -8.554 31.841 -9.957 1.00 0.00 N ATOM 1879 CA SER A 124 -7.742 32.305 -8.844 1.00 0.00 C ATOM 1880 C SER A 124 -8.626 33.266 -8.043 1.00 0.00 C ATOM 1881 O SER A 124 -9.711 33.641 -8.499 1.00 0.00 O ATOM 1882 CB SER A 124 -6.438 32.929 -9.360 1.00 0.00 C ATOM 1883 OG SER A 124 -5.549 33.238 -8.305 1.00 0.00 O ATOM 0 H SER A 124 -9.159 32.566 -10.342 1.00 0.00 H new ATOM 0 HA SER A 124 -7.418 31.496 -8.189 1.00 0.00 H new ATOM 0 HB2 SER A 124 -5.955 32.240 -10.052 1.00 0.00 H new ATOM 0 HB3 SER A 124 -6.666 33.836 -9.920 1.00 0.00 H new ATOM 0 HG SER A 124 -4.730 33.632 -8.672 1.00 0.00 H new ATOM 1889 N GLY A 125 -8.184 33.618 -6.836 1.00 0.00 N ATOM 1890 CA GLY A 125 -9.112 33.738 -5.729 1.00 0.00 C ATOM 1891 C GLY A 125 -9.289 32.323 -5.236 1.00 0.00 C ATOM 1892 O GLY A 125 -10.053 31.552 -5.844 1.00 0.00 O ATOM 0 H GLY A 125 -7.210 33.820 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -8.716 34.385 -4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -10.060 34.169 -6.050 1.00 0.00 H new TER 1896 GLY A 125