USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=31 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 57 THR OG1 : rot -35:sc= 0.788 USER MOD Set 1.2: A 94 THR OG1 : rot 73:sc= 0.886 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 2:sc= 1.09 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0555 X(o=-0.055,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -178:sc= -0.574 (180deg=-0.643) USER MOD Single : A 20 ASN : amide:sc= 0.737 K(o=0.74,f=-7.6!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 27 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.63) USER MOD Single : A 28 SER OG : rot 180:sc= 0.104 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.085) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -45:sc= 1.2 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.408 K(o=-0.41,f=-3.9!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 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 56 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.19) USER MOD Single : A 58 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.6) USER MOD Single : A 59 SER OG : rot -0:sc= 0.0755 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.184 K(o=0.18,f=-4.8!) USER MOD Single : A 67 HIS : no HD1:sc=-0.00803 X(o=-0.008,f=-0.008) 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 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0305 USER MOD Single : A 81 HIS : no HE2:sc= 0.991 K(o=0.99,f=-3.9!) USER MOD Single : A 83 MET CE :methyl 135:sc= -5.28! (180deg=-6.82!) USER MOD Single : A 91 SER OG : rot 129:sc= -0.217 USER MOD Single : A 92 HIS :FLIP no HD1:sc= -0.0802 F(o=-0.82,f=-0.08) USER MOD Single : A 93 TYR OH : rot 6:sc= 1.41 USER MOD Single : A 96 ASN : amide:sc= -0.183 K(o=-0.18,f=-0.89) USER MOD Single : A 101 ASN : amide:sc= 0.659 K(o=0.66,f=-8.1!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 72:sc= 2.01 USER MOD Single : A 115 ASN : amide:sc= -0.0692 X(o=-0.069,f=-0.39) USER MOD Single : A 116 THR OG1 : rot -170:sc= 1.34 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc=-0.00169 USER MOD Single : A 124 SER OG : rot 18:sc= 0.808 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.324 -28.965 -18.512 1.00 0.00 N ATOM 2 CA GLY A 1 -4.113 -29.453 -17.149 1.00 0.00 C ATOM 3 C GLY A 1 -2.954 -28.691 -16.549 1.00 0.00 C ATOM 4 O GLY A 1 -1.811 -29.030 -16.843 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.119 -29.477 -18.945 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.540 -27.948 -18.487 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.463 -29.123 -19.074 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.013 -29.310 -16.550 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.902 -30.522 -17.156 1.00 0.00 H new ATOM 8 N SER A 2 -3.216 -27.644 -15.767 1.00 0.00 N ATOM 9 CA SER A 2 -2.178 -26.784 -15.204 1.00 0.00 C ATOM 10 C SER A 2 -2.820 -25.889 -14.143 1.00 0.00 C ATOM 11 O SER A 2 -3.008 -24.686 -14.348 1.00 0.00 O ATOM 12 CB SER A 2 -1.487 -25.986 -16.327 1.00 0.00 C ATOM 13 OG SER A 2 -2.405 -25.573 -17.332 1.00 0.00 O ATOM 0 H SER A 2 -4.162 -27.368 -15.505 1.00 0.00 H new ATOM 0 HA SER A 2 -1.397 -27.373 -14.723 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.998 -25.110 -15.901 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.706 -26.598 -16.779 1.00 0.00 H new ATOM 0 HG SER A 2 -1.928 -25.069 -18.024 1.00 0.00 H new ATOM 19 N SER A 3 -3.286 -26.494 -13.052 1.00 0.00 N ATOM 20 CA SER A 3 -3.879 -25.819 -11.906 1.00 0.00 C ATOM 21 C SER A 3 -3.745 -26.769 -10.715 1.00 0.00 C ATOM 22 O SER A 3 -4.733 -27.354 -10.271 1.00 0.00 O ATOM 23 CB SER A 3 -5.342 -25.461 -12.220 1.00 0.00 C ATOM 24 OG SER A 3 -5.387 -24.443 -13.204 1.00 0.00 O ATOM 0 H SER A 3 -3.258 -27.508 -12.941 1.00 0.00 H new ATOM 0 HA SER A 3 -3.377 -24.880 -11.672 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.874 -26.344 -12.573 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.846 -25.126 -11.314 1.00 0.00 H new ATOM 0 HG SER A 3 -4.475 -24.213 -13.479 1.00 0.00 H new ATOM 30 N GLY A 4 -2.518 -26.968 -10.234 1.00 0.00 N ATOM 31 CA GLY A 4 -2.182 -27.992 -9.254 1.00 0.00 C ATOM 32 C GLY A 4 -1.021 -27.599 -8.353 1.00 0.00 C ATOM 33 O GLY A 4 -0.310 -28.491 -7.890 1.00 0.00 O ATOM 0 H GLY A 4 -1.716 -26.408 -10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.058 -28.199 -8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.933 -28.917 -9.775 1.00 0.00 H new ATOM 37 N SER A 5 -0.801 -26.304 -8.106 1.00 0.00 N ATOM 38 CA SER A 5 0.278 -25.833 -7.247 1.00 0.00 C ATOM 39 C SER A 5 -0.169 -24.653 -6.389 1.00 0.00 C ATOM 40 O SER A 5 -1.076 -23.910 -6.770 1.00 0.00 O ATOM 41 CB SER A 5 1.486 -25.430 -8.101 1.00 0.00 C ATOM 42 OG SER A 5 1.892 -26.487 -8.951 1.00 0.00 O ATOM 0 H SER A 5 -1.370 -25.555 -8.499 1.00 0.00 H new ATOM 0 HA SER A 5 0.559 -26.648 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.234 -24.555 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.314 -25.144 -7.452 1.00 0.00 H new ATOM 0 HG SER A 5 2.663 -26.200 -9.484 1.00 0.00 H new ATOM 48 N SER A 6 0.521 -24.456 -5.267 1.00 0.00 N ATOM 49 CA SER A 6 0.480 -23.256 -4.439 1.00 0.00 C ATOM 50 C SER A 6 1.828 -23.121 -3.730 1.00 0.00 C ATOM 51 O SER A 6 2.420 -22.042 -3.736 1.00 0.00 O ATOM 52 CB SER A 6 -0.683 -23.341 -3.438 1.00 0.00 C ATOM 53 OG SER A 6 -1.003 -22.078 -2.880 1.00 0.00 O ATOM 0 H SER A 6 1.154 -25.164 -4.894 1.00 0.00 H new ATOM 0 HA SER A 6 0.309 -22.371 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.562 -23.748 -3.938 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.422 -24.034 -2.638 1.00 0.00 H new ATOM 0 HG SER A 6 -1.748 -22.177 -2.251 1.00 0.00 H new ATOM 59 N GLY A 7 2.313 -24.227 -3.161 1.00 0.00 N ATOM 60 CA GLY A 7 3.400 -24.292 -2.200 1.00 0.00 C ATOM 61 C GLY A 7 2.841 -24.853 -0.894 1.00 0.00 C ATOM 62 O GLY A 7 1.623 -25.027 -0.759 1.00 0.00 O ATOM 0 H GLY A 7 1.932 -25.149 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.203 -24.927 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.826 -23.302 -2.038 1.00 0.00 H new ATOM 66 N HIS A 8 3.712 -25.171 0.063 1.00 0.00 N ATOM 67 CA HIS A 8 3.318 -25.460 1.435 1.00 0.00 C ATOM 68 C HIS A 8 4.557 -25.265 2.311 1.00 0.00 C ATOM 69 O HIS A 8 5.503 -26.057 2.224 1.00 0.00 O ATOM 70 CB HIS A 8 2.711 -26.877 1.554 1.00 0.00 C ATOM 71 CG HIS A 8 1.442 -26.913 2.368 1.00 0.00 C ATOM 72 ND1 HIS A 8 1.255 -27.590 3.555 1.00 0.00 N ATOM 73 CD2 HIS A 8 0.262 -26.295 2.045 1.00 0.00 C ATOM 74 CE1 HIS A 8 -0.006 -27.363 3.954 1.00 0.00 C ATOM 75 NE2 HIS A 8 -0.658 -26.604 3.054 1.00 0.00 N ATOM 0 H HIS A 8 4.717 -25.235 -0.097 1.00 0.00 H new ATOM 0 HA HIS A 8 2.531 -24.784 1.770 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.505 -27.262 0.555 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.445 -27.543 2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.076 -25.684 1.174 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.438 -27.738 4.870 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.634 -26.311 3.098 1.00 0.00 H new ATOM 83 N SER A 9 4.601 -24.183 3.088 1.00 0.00 N ATOM 84 CA SER A 9 5.657 -23.899 4.054 1.00 0.00 C ATOM 85 C SER A 9 5.146 -22.904 5.103 1.00 0.00 C ATOM 86 O SER A 9 4.144 -22.215 4.882 1.00 0.00 O ATOM 87 CB SER A 9 6.880 -23.330 3.319 1.00 0.00 C ATOM 88 OG SER A 9 8.021 -23.380 4.144 1.00 0.00 O ATOM 0 H SER A 9 3.882 -23.461 3.060 1.00 0.00 H new ATOM 0 HA SER A 9 5.948 -24.818 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.059 -23.898 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.685 -22.300 3.020 1.00 0.00 H new ATOM 0 HG SER A 9 8.791 -23.015 3.660 1.00 0.00 H new ATOM 94 N GLY A 10 5.864 -22.768 6.214 1.00 0.00 N ATOM 95 CA GLY A 10 5.750 -21.679 7.169 1.00 0.00 C ATOM 96 C GLY A 10 4.984 -22.068 8.424 1.00 0.00 C ATOM 97 O GLY A 10 3.900 -22.661 8.364 1.00 0.00 O ATOM 0 H GLY A 10 6.574 -23.449 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.748 -21.342 7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.251 -20.835 6.692 1.00 0.00 H new ATOM 101 N GLU A 11 5.556 -21.733 9.577 1.00 0.00 N ATOM 102 CA GLU A 11 4.934 -21.875 10.888 1.00 0.00 C ATOM 103 C GLU A 11 4.248 -20.579 11.299 1.00 0.00 C ATOM 104 O GLU A 11 3.276 -20.626 12.055 1.00 0.00 O ATOM 105 CB GLU A 11 5.992 -22.124 11.962 1.00 0.00 C ATOM 106 CG GLU A 11 6.763 -23.438 11.845 1.00 0.00 C ATOM 107 CD GLU A 11 7.717 -23.586 13.036 1.00 0.00 C ATOM 108 OE1 GLU A 11 8.181 -22.566 13.592 1.00 0.00 O ATOM 109 OE2 GLU A 11 8.034 -24.736 13.418 1.00 0.00 O ATOM 0 H GLU A 11 6.497 -21.342 9.625 1.00 0.00 H new ATOM 0 HA GLU A 11 4.229 -22.703 10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.707 -21.302 11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.506 -22.095 12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.068 -24.277 11.817 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.325 -23.459 10.912 1.00 0.00 H new ATOM 116 N ASP A 12 4.779 -19.428 10.877 1.00 0.00 N ATOM 117 CA ASP A 12 4.376 -18.137 11.425 1.00 0.00 C ATOM 118 C ASP A 12 4.166 -17.088 10.340 1.00 0.00 C ATOM 119 O ASP A 12 3.392 -16.172 10.565 1.00 0.00 O ATOM 120 CB ASP A 12 5.380 -17.659 12.482 1.00 0.00 C ATOM 121 CG ASP A 12 4.672 -16.813 13.543 1.00 0.00 C ATOM 122 OD1 ASP A 12 4.131 -17.447 14.491 1.00 0.00 O ATOM 123 OD2 ASP A 12 4.661 -15.576 13.431 1.00 0.00 O ATOM 0 H ASP A 12 5.494 -19.368 10.152 1.00 0.00 H new ATOM 0 HA ASP A 12 3.410 -18.277 11.911 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.860 -18.517 12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.168 -17.074 12.007 1.00 0.00 H new ATOM 128 N LEU A 13 4.787 -17.204 9.157 1.00 0.00 N ATOM 129 CA LEU A 13 4.576 -16.239 8.069 1.00 0.00 C ATOM 130 C LEU A 13 3.137 -16.284 7.526 1.00 0.00 C ATOM 131 O LEU A 13 2.569 -17.380 7.459 1.00 0.00 O ATOM 132 CB LEU A 13 5.564 -16.499 6.914 1.00 0.00 C ATOM 133 CG LEU A 13 6.983 -15.982 7.192 1.00 0.00 C ATOM 134 CD1 LEU A 13 7.970 -16.394 6.106 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.016 -14.454 7.258 1.00 0.00 C ATOM 0 H LEU A 13 5.438 -17.955 8.930 1.00 0.00 H new ATOM 0 HA LEU A 13 4.751 -15.248 8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.608 -17.570 6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.184 -16.025 6.009 1.00 0.00 H new ATOM 0 HG LEU A 13 7.269 -16.422 8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.959 -16.005 6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.012 -17.482 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.645 -15.990 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.035 -14.120 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.677 -14.041 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.360 -14.110 8.057 1.00 0.00 H new ATOM 147 N PRO A 14 2.585 -15.155 7.026 1.00 0.00 N ATOM 148 CA PRO A 14 1.270 -15.134 6.400 1.00 0.00 C ATOM 149 C PRO A 14 1.177 -16.071 5.194 1.00 0.00 C ATOM 150 O PRO A 14 2.184 -16.388 4.545 1.00 0.00 O ATOM 151 CB PRO A 14 0.998 -13.690 5.968 1.00 0.00 C ATOM 152 CG PRO A 14 2.140 -12.844 6.522 1.00 0.00 C ATOM 153 CD PRO A 14 3.187 -13.830 7.038 1.00 0.00 C ATOM 0 HA PRO A 14 0.528 -15.487 7.116 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.951 -13.613 4.882 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.039 -13.345 6.353 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.559 -12.200 5.748 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.790 -12.193 7.323 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.077 -13.808 6.409 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.502 -13.561 8.046 1.00 0.00 H new ATOM 161 N MET A 15 -0.053 -16.449 4.841 1.00 0.00 N ATOM 162 CA MET A 15 -0.345 -17.460 3.828 1.00 0.00 C ATOM 163 C MET A 15 -1.201 -16.941 2.679 1.00 0.00 C ATOM 164 O MET A 15 -1.020 -17.411 1.554 1.00 0.00 O ATOM 165 CB MET A 15 -1.022 -18.678 4.472 1.00 0.00 C ATOM 166 CG MET A 15 -0.159 -19.332 5.560 1.00 0.00 C ATOM 167 SD MET A 15 -0.688 -20.982 6.097 1.00 0.00 S ATOM 168 CE MET A 15 -2.331 -20.585 6.736 1.00 0.00 C ATOM 0 H MET A 15 -0.892 -16.050 5.262 1.00 0.00 H new ATOM 0 HA MET A 15 0.615 -17.746 3.399 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.974 -18.372 4.905 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.245 -19.414 3.700 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.865 -19.400 5.193 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.143 -18.675 6.429 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.791 -21.486 7.143 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.244 -19.835 7.522 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.951 -20.195 5.929 1.00 0.00 H new ATOM 178 N VAL A 16 -2.098 -15.979 2.926 1.00 0.00 N ATOM 179 CA VAL A 16 -2.999 -15.456 1.900 1.00 0.00 C ATOM 180 C VAL A 16 -3.183 -13.938 2.028 1.00 0.00 C ATOM 181 O VAL A 16 -2.959 -13.353 3.091 1.00 0.00 O ATOM 182 CB VAL A 16 -4.352 -16.214 1.884 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.193 -17.702 1.526 1.00 0.00 C ATOM 184 CG2 VAL A 16 -5.195 -16.135 3.158 1.00 0.00 C ATOM 0 H VAL A 16 -2.217 -15.544 3.841 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.529 -15.634 0.933 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.892 -15.672 1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.171 -18.184 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.748 -17.792 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.548 -18.186 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.115 -16.704 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.632 -16.551 3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.440 -15.094 3.368 1.00 0.00 H new ATOM 194 N ALA A 17 -3.587 -13.324 0.921 1.00 0.00 N ATOM 195 CA ALA A 17 -3.849 -11.925 0.678 1.00 0.00 C ATOM 196 C ALA A 17 -5.337 -11.585 0.835 1.00 0.00 C ATOM 197 O ALA A 17 -6.184 -12.481 0.726 1.00 0.00 O ATOM 198 CB ALA A 17 -3.454 -11.645 -0.774 1.00 0.00 C ATOM 0 H ALA A 17 -3.756 -13.869 0.076 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.287 -11.327 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.635 -10.595 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.397 -11.870 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.049 -12.271 -1.440 1.00 0.00 H new ATOM 204 N PRO A 18 -5.663 -10.296 1.045 1.00 0.00 N ATOM 205 CA PRO A 18 -7.029 -9.872 1.309 1.00 0.00 C ATOM 206 C PRO A 18 -7.889 -9.954 0.054 1.00 0.00 C ATOM 207 O PRO A 18 -7.444 -9.640 -1.055 1.00 0.00 O ATOM 208 CB PRO A 18 -6.941 -8.460 1.884 1.00 0.00 C ATOM 209 CG PRO A 18 -5.578 -7.943 1.493 1.00 0.00 C ATOM 210 CD PRO A 18 -4.736 -9.188 1.217 1.00 0.00 C ATOM 0 HA PRO A 18 -7.521 -10.531 2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.730 -7.824 1.483 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.060 -8.471 2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.638 -7.306 0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.142 -7.343 2.291 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.127 -9.052 0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.051 -9.382 2.043 1.00 0.00 H new ATOM 218 N GLY A 19 -9.137 -10.373 0.248 1.00 0.00 N ATOM 219 CA GLY A 19 -10.118 -10.515 -0.809 1.00 0.00 C ATOM 220 C GLY A 19 -10.724 -9.173 -1.193 1.00 0.00 C ATOM 221 O GLY A 19 -10.666 -8.203 -0.430 1.00 0.00 O ATOM 0 H GLY A 19 -9.496 -10.628 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.649 -10.967 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.908 -11.192 -0.485 1.00 0.00 H new ATOM 225 N ASN A 20 -11.417 -9.192 -2.333 1.00 0.00 N ATOM 226 CA ASN A 20 -12.497 -8.281 -2.684 1.00 0.00 C ATOM 227 C ASN A 20 -12.128 -6.812 -2.461 1.00 0.00 C ATOM 228 O ASN A 20 -12.790 -6.067 -1.739 1.00 0.00 O ATOM 229 CB ASN A 20 -13.736 -8.768 -1.924 1.00 0.00 C ATOM 230 CG ASN A 20 -14.992 -7.952 -2.151 1.00 0.00 C ATOM 231 OD1 ASN A 20 -15.231 -7.430 -3.240 1.00 0.00 O ATOM 232 ND2 ASN A 20 -15.815 -7.847 -1.128 1.00 0.00 N ATOM 0 H ASN A 20 -11.229 -9.875 -3.067 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.709 -8.300 -3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.936 -9.801 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.511 -8.771 -0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.683 -7.320 -1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.584 -8.293 -0.240 1.00 0.00 H new ATOM 239 N VAL A 21 -11.017 -6.411 -3.071 1.00 0.00 N ATOM 240 CA VAL A 21 -10.428 -5.085 -2.938 1.00 0.00 C ATOM 241 C VAL A 21 -11.219 -4.089 -3.801 1.00 0.00 C ATOM 242 O VAL A 21 -11.472 -4.348 -4.981 1.00 0.00 O ATOM 243 CB VAL A 21 -8.930 -5.187 -3.292 1.00 0.00 C ATOM 244 CG1 VAL A 21 -8.166 -3.877 -3.078 1.00 0.00 C ATOM 245 CG2 VAL A 21 -8.250 -6.194 -2.356 1.00 0.00 C ATOM 0 H VAL A 21 -10.485 -7.021 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.488 -4.706 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.899 -5.471 -4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.119 -4.019 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.599 -3.097 -3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.236 -3.582 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.192 -6.266 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.357 -5.861 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.718 -7.172 -2.472 1.00 0.00 H new ATOM 255 N ARG A 22 -11.634 -2.971 -3.196 1.00 0.00 N ATOM 256 CA ARG A 22 -12.513 -1.938 -3.779 1.00 0.00 C ATOM 257 C ARG A 22 -12.078 -0.547 -3.323 1.00 0.00 C ATOM 258 O ARG A 22 -12.160 -0.244 -2.138 1.00 0.00 O ATOM 259 CB ARG A 22 -14.005 -2.148 -3.419 1.00 0.00 C ATOM 260 CG ARG A 22 -14.296 -3.428 -2.637 1.00 0.00 C ATOM 261 CD ARG A 22 -15.776 -3.586 -2.289 1.00 0.00 C ATOM 262 NE ARG A 22 -16.350 -4.812 -2.871 1.00 0.00 N ATOM 263 CZ ARG A 22 -17.521 -4.937 -3.504 1.00 0.00 C ATOM 264 NH1 ARG A 22 -18.282 -3.873 -3.724 1.00 0.00 N ATOM 265 NH2 ARG A 22 -17.917 -6.124 -3.949 1.00 0.00 N ATOM 0 H ARG A 22 -11.356 -2.746 -2.241 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.416 -2.026 -4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.348 -1.295 -2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.589 -2.159 -4.339 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.971 -4.288 -3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.709 -3.428 -1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.894 -3.609 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.329 -2.719 -2.651 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.791 -5.661 -2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.975 -2.953 -3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.174 -3.975 -4.208 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.327 -6.944 -3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.811 -6.215 -4.431 1.00 0.00 H new ATOM 279 N VAL A 23 -11.644 0.308 -4.240 1.00 0.00 N ATOM 280 CA VAL A 23 -11.099 1.642 -3.935 1.00 0.00 C ATOM 281 C VAL A 23 -12.113 2.702 -4.364 1.00 0.00 C ATOM 282 O VAL A 23 -12.773 2.559 -5.399 1.00 0.00 O ATOM 283 CB VAL A 23 -9.652 1.822 -4.477 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.262 0.799 -5.540 1.00 0.00 C ATOM 285 CG2 VAL A 23 -9.202 3.237 -4.836 1.00 0.00 C ATOM 0 H VAL A 23 -11.657 0.098 -5.238 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.966 1.766 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.069 1.607 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.240 0.988 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.328 -0.205 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.939 0.882 -6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.175 3.211 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.852 3.639 -5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.258 3.872 -3.952 1.00 0.00 H new ATOM 295 N ASN A 24 -12.294 3.723 -3.530 1.00 0.00 N ATOM 296 CA ASN A 24 -13.262 4.816 -3.666 1.00 0.00 C ATOM 297 C ASN A 24 -12.550 6.162 -3.630 1.00 0.00 C ATOM 298 O ASN A 24 -11.826 6.451 -2.683 1.00 0.00 O ATOM 299 CB ASN A 24 -14.310 4.741 -2.549 1.00 0.00 C ATOM 300 CG ASN A 24 -15.180 5.995 -2.506 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.638 6.468 -3.538 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.453 6.531 -1.330 1.00 0.00 N ATOM 0 H ASN A 24 -11.732 3.818 -2.684 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.767 4.714 -4.627 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.941 3.865 -2.700 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -13.810 4.612 -1.589 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -16.054 7.353 -1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -15.062 6.123 -0.481 1.00 0.00 H new ATOM 309 N VAL A 25 -12.750 6.991 -4.644 1.00 0.00 N ATOM 310 CA VAL A 25 -12.146 8.315 -4.724 1.00 0.00 C ATOM 311 C VAL A 25 -13.023 9.271 -3.922 1.00 0.00 C ATOM 312 O VAL A 25 -14.103 9.665 -4.363 1.00 0.00 O ATOM 313 CB VAL A 25 -11.959 8.719 -6.193 1.00 0.00 C ATOM 314 CG1 VAL A 25 -11.330 10.112 -6.343 1.00 0.00 C ATOM 315 CG2 VAL A 25 -11.031 7.696 -6.866 1.00 0.00 C ATOM 0 H VAL A 25 -13.342 6.762 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.146 8.336 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.944 8.743 -6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.220 10.349 -7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.973 10.854 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.351 10.122 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.887 7.968 -7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.067 7.689 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.479 6.704 -6.808 1.00 0.00 H new ATOM 325 N VAL A 26 -12.574 9.604 -2.713 1.00 0.00 N ATOM 326 CA VAL A 26 -13.282 10.527 -1.842 1.00 0.00 C ATOM 327 C VAL A 26 -13.131 11.943 -2.395 1.00 0.00 C ATOM 328 O VAL A 26 -14.119 12.663 -2.507 1.00 0.00 O ATOM 329 CB VAL A 26 -12.737 10.417 -0.402 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.436 11.380 0.556 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.807 8.972 0.137 1.00 0.00 C ATOM 0 H VAL A 26 -11.709 9.239 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.343 10.278 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.687 10.704 -0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.018 11.265 1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.286 12.405 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.503 11.158 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.413 8.943 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.843 8.635 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.214 8.317 -0.501 1.00 0.00 H new ATOM 341 N ASN A 27 -11.903 12.353 -2.722 1.00 0.00 N ATOM 342 CA ASN A 27 -11.593 13.716 -3.131 1.00 0.00 C ATOM 343 C ASN A 27 -10.618 13.674 -4.301 1.00 0.00 C ATOM 344 O ASN A 27 -10.151 12.620 -4.729 1.00 0.00 O ATOM 345 CB ASN A 27 -10.953 14.517 -1.975 1.00 0.00 C ATOM 346 CG ASN A 27 -11.662 14.478 -0.633 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.855 14.733 -0.509 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.897 14.179 0.396 1.00 0.00 N ATOM 0 H ASN A 27 -11.090 11.737 -2.709 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.522 14.208 -3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.936 14.151 -1.832 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.876 15.559 -2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.293 14.154 1.336 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.908 13.973 0.254 1.00 0.00 H new ATOM 355 N SER A 28 -10.221 14.847 -4.778 1.00 0.00 N ATOM 356 CA SER A 28 -9.258 14.959 -5.866 1.00 0.00 C ATOM 357 C SER A 28 -7.879 14.452 -5.453 1.00 0.00 C ATOM 358 O SER A 28 -7.207 13.820 -6.268 1.00 0.00 O ATOM 359 CB SER A 28 -9.184 16.400 -6.382 1.00 0.00 C ATOM 360 OG SER A 28 -9.730 17.326 -5.459 1.00 0.00 O ATOM 0 H SER A 28 -10.555 15.743 -4.424 1.00 0.00 H new ATOM 0 HA SER A 28 -9.606 14.323 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.145 16.660 -6.583 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.720 16.474 -7.328 1.00 0.00 H new ATOM 0 HG SER A 28 -9.662 18.232 -5.826 1.00 0.00 H new ATOM 366 N THR A 29 -7.490 14.670 -4.194 1.00 0.00 N ATOM 367 CA THR A 29 -6.160 14.359 -3.678 1.00 0.00 C ATOM 368 C THR A 29 -6.229 13.340 -2.532 1.00 0.00 C ATOM 369 O THR A 29 -5.297 13.273 -1.728 1.00 0.00 O ATOM 370 CB THR A 29 -5.442 15.673 -3.292 1.00 0.00 C ATOM 371 OG1 THR A 29 -5.989 16.237 -2.111 1.00 0.00 O ATOM 372 CG2 THR A 29 -5.532 16.723 -4.407 1.00 0.00 C ATOM 0 H THR A 29 -8.107 15.077 -3.491 1.00 0.00 H new ATOM 0 HA THR A 29 -5.566 13.877 -4.455 1.00 0.00 H new ATOM 0 HB THR A 29 -4.398 15.406 -3.127 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.513 17.065 -1.893 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.015 17.630 -4.095 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.067 16.333 -5.312 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.579 16.952 -4.607 1.00 0.00 H new ATOM 380 N LEU A 30 -7.355 12.627 -2.406 1.00 0.00 N ATOM 381 CA LEU A 30 -7.602 11.567 -1.448 1.00 0.00 C ATOM 382 C LEU A 30 -8.362 10.445 -2.148 1.00 0.00 C ATOM 383 O LEU A 30 -9.378 10.705 -2.794 1.00 0.00 O ATOM 384 CB LEU A 30 -8.420 12.100 -0.262 1.00 0.00 C ATOM 385 CG LEU A 30 -8.499 11.193 0.972 1.00 0.00 C ATOM 386 CD1 LEU A 30 -9.464 10.027 0.794 1.00 0.00 C ATOM 387 CD2 LEU A 30 -7.119 10.705 1.414 1.00 0.00 C ATOM 0 H LEU A 30 -8.160 12.792 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.654 11.190 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.996 13.057 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.435 12.297 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.904 11.815 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.475 9.422 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.466 10.410 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.142 9.413 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.223 10.066 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.657 10.139 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.492 11.562 1.661 1.00 0.00 H new ATOM 399 N ALA A 31 -7.995 9.195 -1.883 1.00 0.00 N ATOM 400 CA ALA A 31 -8.770 8.019 -2.242 1.00 0.00 C ATOM 401 C ALA A 31 -8.746 7.105 -1.025 1.00 0.00 C ATOM 402 O ALA A 31 -7.785 7.115 -0.258 1.00 0.00 O ATOM 403 CB ALA A 31 -8.198 7.338 -3.490 1.00 0.00 C ATOM 0 H ALA A 31 -7.126 8.969 -1.399 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.796 8.281 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.799 6.462 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.218 8.036 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.170 7.031 -3.298 1.00 0.00 H new ATOM 409 N GLU A 32 -9.784 6.311 -0.840 1.00 0.00 N ATOM 410 CA GLU A 32 -9.931 5.309 0.182 1.00 0.00 C ATOM 411 C GLU A 32 -9.824 3.952 -0.504 1.00 0.00 C ATOM 412 O GLU A 32 -10.280 3.771 -1.629 1.00 0.00 O ATOM 413 CB GLU A 32 -11.298 5.520 0.846 1.00 0.00 C ATOM 414 CG GLU A 32 -11.337 4.784 2.182 1.00 0.00 C ATOM 415 CD GLU A 32 -12.551 5.116 3.054 1.00 0.00 C ATOM 416 OE1 GLU A 32 -13.445 5.878 2.611 1.00 0.00 O ATOM 417 OE2 GLU A 32 -12.563 4.669 4.220 1.00 0.00 O ATOM 0 H GLU A 32 -10.602 6.358 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.166 5.369 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.478 6.584 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.091 5.153 0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.325 3.711 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.430 5.019 2.739 1.00 0.00 H new ATOM 424 N VAL A 33 -9.218 2.979 0.150 1.00 0.00 N ATOM 425 CA VAL A 33 -8.948 1.659 -0.383 1.00 0.00 C ATOM 426 C VAL A 33 -9.576 0.708 0.618 1.00 0.00 C ATOM 427 O VAL A 33 -9.186 0.740 1.781 1.00 0.00 O ATOM 428 CB VAL A 33 -7.425 1.476 -0.514 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.082 0.102 -1.078 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.810 2.476 -1.494 1.00 0.00 C ATOM 0 H VAL A 33 -8.887 3.093 1.108 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.358 1.485 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.031 1.616 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.000 0.002 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.469 -0.671 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.532 -0.009 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.734 2.311 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.255 2.340 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.002 3.491 -1.146 1.00 0.00 H new ATOM 440 N HIS A 34 -10.546 -0.099 0.189 1.00 0.00 N ATOM 441 CA HIS A 34 -11.229 -1.070 1.045 1.00 0.00 C ATOM 442 C HIS A 34 -10.776 -2.466 0.645 1.00 0.00 C ATOM 443 O HIS A 34 -10.426 -2.694 -0.520 1.00 0.00 O ATOM 444 CB HIS A 34 -12.763 -0.974 0.916 1.00 0.00 C ATOM 445 CG HIS A 34 -13.349 0.370 1.285 1.00 0.00 C ATOM 446 ND1 HIS A 34 -14.313 0.603 2.243 1.00 0.00 N ATOM 447 CD2 HIS A 34 -13.047 1.576 0.711 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.555 1.924 2.268 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.823 2.552 1.334 1.00 0.00 N ATOM 0 H HIS A 34 -10.884 -0.097 -0.773 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.973 -0.856 2.083 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -13.042 -1.206 -0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.215 -1.738 1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.334 1.742 -0.083 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -15.241 2.412 2.944 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.833 3.550 1.122 1.00 0.00 H new ATOM 457 N TRP A 35 -10.815 -3.407 1.581 1.00 0.00 N ATOM 458 CA TRP A 35 -10.554 -4.811 1.329 1.00 0.00 C ATOM 459 C TRP A 35 -11.275 -5.662 2.374 1.00 0.00 C ATOM 460 O TRP A 35 -11.687 -5.164 3.427 1.00 0.00 O ATOM 461 CB TRP A 35 -9.035 -5.038 1.331 1.00 0.00 C ATOM 462 CG TRP A 35 -8.286 -4.625 2.567 1.00 0.00 C ATOM 463 CD1 TRP A 35 -8.158 -5.369 3.690 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.578 -3.374 2.839 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.434 -4.672 4.634 1.00 0.00 N ATOM 466 CE2 TRP A 35 -7.042 -3.442 4.160 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.347 -2.175 2.123 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.318 -2.393 4.740 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.619 -1.118 2.697 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.088 -1.226 3.995 1.00 0.00 C ATOM 0 H TRP A 35 -11.034 -3.206 2.557 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.937 -5.110 0.353 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.851 -6.099 1.162 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.611 -4.501 0.482 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.563 -6.361 3.827 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.217 -5.024 5.566 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.736 -2.071 1.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.941 -2.481 5.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.465 -0.210 2.133 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.508 -0.417 4.415 1.00 0.00 H new ATOM 481 N ASP A 36 -11.421 -6.955 2.099 1.00 0.00 N ATOM 482 CA ASP A 36 -11.896 -7.924 3.080 1.00 0.00 C ATOM 483 C ASP A 36 -10.722 -8.300 3.979 1.00 0.00 C ATOM 484 O ASP A 36 -9.616 -8.498 3.469 1.00 0.00 O ATOM 485 CB ASP A 36 -12.402 -9.204 2.412 1.00 0.00 C ATOM 486 CG ASP A 36 -13.803 -9.123 1.810 1.00 0.00 C ATOM 487 OD1 ASP A 36 -14.304 -8.013 1.500 1.00 0.00 O ATOM 488 OD2 ASP A 36 -14.372 -10.215 1.604 1.00 0.00 O ATOM 0 H ASP A 36 -11.212 -7.361 1.187 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.717 -7.474 3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.703 -9.482 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.388 -10.007 3.149 1.00 0.00 H new ATOM 493 N PRO A 37 -10.937 -8.472 5.292 1.00 0.00 N ATOM 494 CA PRO A 37 -9.908 -8.944 6.200 1.00 0.00 C ATOM 495 C PRO A 37 -9.579 -10.391 5.848 1.00 0.00 C ATOM 496 O PRO A 37 -10.481 -11.191 5.564 1.00 0.00 O ATOM 497 CB PRO A 37 -10.523 -8.840 7.600 1.00 0.00 C ATOM 498 CG PRO A 37 -12.020 -9.005 7.341 1.00 0.00 C ATOM 499 CD PRO A 37 -12.214 -8.373 5.971 1.00 0.00 C ATOM 0 HA PRO A 37 -8.983 -8.370 6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.142 -9.615 8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.299 -7.881 8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.315 -10.054 7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.617 -8.504 8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.993 -8.890 5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.525 -7.333 6.063 1.00 0.00 H new ATOM 507 N VAL A 38 -8.301 -10.753 5.911 1.00 0.00 N ATOM 508 CA VAL A 38 -7.931 -12.161 5.914 1.00 0.00 C ATOM 509 C VAL A 38 -8.168 -12.743 7.325 1.00 0.00 C ATOM 510 O VAL A 38 -8.188 -11.998 8.315 1.00 0.00 O ATOM 511 CB VAL A 38 -6.491 -12.352 5.413 1.00 0.00 C ATOM 512 CG1 VAL A 38 -6.351 -12.029 3.933 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.497 -11.485 6.166 1.00 0.00 C ATOM 0 H VAL A 38 -7.517 -10.102 5.960 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.561 -12.715 5.218 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.270 -13.405 5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.316 -12.178 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.001 -12.685 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.635 -10.991 3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.494 -11.657 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.761 -10.435 6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.521 -11.740 7.225 1.00 0.00 H new ATOM 523 N PRO A 39 -8.355 -14.067 7.444 1.00 0.00 N ATOM 524 CA PRO A 39 -8.620 -14.731 8.708 1.00 0.00 C ATOM 525 C PRO A 39 -7.315 -14.933 9.470 1.00 0.00 C ATOM 526 O PRO A 39 -6.292 -15.228 8.852 1.00 0.00 O ATOM 527 CB PRO A 39 -9.234 -16.075 8.317 1.00 0.00 C ATOM 528 CG PRO A 39 -8.708 -16.374 6.910 1.00 0.00 C ATOM 529 CD PRO A 39 -8.244 -15.027 6.362 1.00 0.00 C ATOM 0 HA PRO A 39 -9.280 -14.156 9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.944 -16.857 9.018 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.323 -16.026 8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.887 -17.091 6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.487 -16.807 6.282 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.216 -15.089 6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.857 -14.724 5.513 1.00 0.00 H new ATOM 537 N LEU A 40 -7.346 -14.880 10.802 1.00 0.00 N ATOM 538 CA LEU A 40 -6.161 -15.042 11.647 1.00 0.00 C ATOM 539 C LEU A 40 -5.438 -16.370 11.424 1.00 0.00 C ATOM 540 O LEU A 40 -4.212 -16.408 11.529 1.00 0.00 O ATOM 541 CB LEU A 40 -6.527 -14.828 13.129 1.00 0.00 C ATOM 542 CG LEU A 40 -6.115 -13.449 13.674 1.00 0.00 C ATOM 543 CD1 LEU A 40 -4.592 -13.363 13.813 1.00 0.00 C ATOM 544 CD2 LEU A 40 -6.686 -12.289 12.843 1.00 0.00 C ATOM 0 H LEU A 40 -8.204 -14.722 11.331 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.448 -14.272 11.351 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.603 -14.950 13.250 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.049 -15.603 13.728 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.553 -13.344 14.666 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.317 -12.382 14.200 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.245 -14.134 14.501 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.129 -13.512 12.838 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.364 -11.341 13.273 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.325 -12.364 11.817 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.775 -12.339 12.849 1.00 0.00 H new ATOM 556 N LYS A 41 -6.158 -17.427 11.025 1.00 0.00 N ATOM 557 CA LYS A 41 -5.552 -18.670 10.552 1.00 0.00 C ATOM 558 C LYS A 41 -4.502 -18.391 9.474 1.00 0.00 C ATOM 559 O LYS A 41 -3.379 -18.861 9.601 1.00 0.00 O ATOM 560 CB LYS A 41 -6.624 -19.650 10.038 1.00 0.00 C ATOM 561 CG LYS A 41 -6.787 -20.903 10.910 1.00 0.00 C ATOM 562 CD LYS A 41 -7.445 -20.626 12.267 1.00 0.00 C ATOM 563 CE LYS A 41 -7.773 -21.940 12.985 1.00 0.00 C ATOM 564 NZ LYS A 41 -6.570 -22.681 13.413 1.00 0.00 N ATOM 0 H LYS A 41 -7.178 -17.440 11.023 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.050 -19.140 11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.581 -19.131 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.367 -19.955 9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.385 -21.637 10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.807 -21.350 11.076 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.778 -20.024 12.885 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.357 -20.046 12.124 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.390 -21.726 13.857 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.365 -22.571 12.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.855 -23.559 13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.991 -22.913 12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.015 -22.094 14.068 1.00 0.00 H new ATOM 578 N SER A 42 -4.840 -17.605 8.443 1.00 0.00 N ATOM 579 CA SER A 42 -3.904 -17.301 7.360 1.00 0.00 C ATOM 580 C SER A 42 -2.641 -16.603 7.865 1.00 0.00 C ATOM 581 O SER A 42 -1.561 -16.847 7.340 1.00 0.00 O ATOM 582 CB SER A 42 -4.564 -16.450 6.276 1.00 0.00 C ATOM 583 OG SER A 42 -4.820 -15.124 6.694 1.00 0.00 O ATOM 0 H SER A 42 -5.756 -17.169 8.339 1.00 0.00 H new ATOM 0 HA SER A 42 -3.612 -18.259 6.931 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.921 -16.430 5.396 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.502 -16.918 5.975 1.00 0.00 H new ATOM 0 HG SER A 42 -5.218 -15.134 7.589 1.00 0.00 H new ATOM 589 N ILE A 43 -2.785 -15.708 8.848 1.00 0.00 N ATOM 590 CA ILE A 43 -1.720 -14.812 9.282 1.00 0.00 C ATOM 591 C ILE A 43 -0.638 -15.608 10.007 1.00 0.00 C ATOM 592 O ILE A 43 0.495 -15.140 10.049 1.00 0.00 O ATOM 593 CB ILE A 43 -2.271 -13.669 10.171 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.522 -13.029 9.523 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.198 -12.590 10.442 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.097 -11.845 10.298 1.00 0.00 C ATOM 0 H ILE A 43 -3.655 -15.588 9.367 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.278 -14.345 8.402 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.554 -14.107 11.128 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.266 -12.699 8.516 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.294 -13.791 9.422 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.621 -11.805 11.069 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.348 -13.043 10.952 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.867 -12.160 9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.971 -11.457 9.774 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.388 -12.171 11.297 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.344 -11.061 10.377 1.00 0.00 H new ATOM 608 N ARG A 44 -0.974 -16.785 10.560 1.00 0.00 N ATOM 609 CA ARG A 44 -0.090 -17.740 11.237 1.00 0.00 C ATOM 610 C ARG A 44 0.614 -17.222 12.491 1.00 0.00 C ATOM 611 O ARG A 44 1.012 -18.047 13.310 1.00 0.00 O ATOM 612 CB ARG A 44 0.892 -18.328 10.216 1.00 0.00 C ATOM 613 CG ARG A 44 0.220 -19.373 9.323 1.00 0.00 C ATOM 614 CD ARG A 44 0.564 -20.814 9.693 1.00 0.00 C ATOM 615 NE ARG A 44 0.677 -21.042 11.149 1.00 0.00 N ATOM 616 CZ ARG A 44 -0.191 -21.587 12.004 1.00 0.00 C ATOM 617 NH1 ARG A 44 -1.370 -22.046 11.600 1.00 0.00 N ATOM 618 NH2 ARG A 44 0.142 -21.675 13.285 1.00 0.00 N ATOM 0 H ARG A 44 -1.939 -17.115 10.543 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.734 -18.525 11.634 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.297 -17.527 9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.733 -18.783 10.740 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.861 -19.242 9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.511 -19.194 8.288 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.201 -21.476 9.289 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.506 -21.087 9.217 1.00 0.00 H new ATOM 0 HE ARG A 44 1.556 -20.735 11.566 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.630 -21.987 10.616 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.015 -22.458 12.274 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.048 -21.329 13.601 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.508 -22.088 13.954 1.00 0.00 H new ATOM 632 N GLY A 45 0.637 -15.917 12.719 1.00 0.00 N ATOM 633 CA GLY A 45 1.103 -15.212 13.892 1.00 0.00 C ATOM 634 C GLY A 45 0.389 -13.863 13.964 1.00 0.00 C ATOM 635 O GLY A 45 -0.650 -13.668 13.326 1.00 0.00 O ATOM 0 H GLY A 45 0.294 -15.266 12.013 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.901 -15.796 14.790 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.182 -15.067 13.843 1.00 0.00 H new ATOM 639 N HIS A 46 0.911 -12.939 14.768 1.00 0.00 N ATOM 640 CA HIS A 46 0.284 -11.649 15.037 1.00 0.00 C ATOM 641 C HIS A 46 0.494 -10.670 13.888 1.00 0.00 C ATOM 642 O HIS A 46 1.625 -10.287 13.584 1.00 0.00 O ATOM 643 CB HIS A 46 0.838 -11.064 16.344 1.00 0.00 C ATOM 644 CG HIS A 46 0.235 -11.734 17.552 1.00 0.00 C ATOM 645 ND1 HIS A 46 0.635 -12.913 18.138 1.00 0.00 N ATOM 646 CD2 HIS A 46 -0.881 -11.303 18.207 1.00 0.00 C ATOM 647 CE1 HIS A 46 -0.231 -13.193 19.128 1.00 0.00 C ATOM 648 NE2 HIS A 46 -1.208 -12.265 19.168 1.00 0.00 N ATOM 0 H HIS A 46 1.796 -13.069 15.258 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.789 -11.810 15.138 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.921 -11.181 16.365 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.632 -9.994 16.380 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.416 -10.384 18.018 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.155 -14.039 19.795 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.025 -12.265 19.779 1.00 0.00 H new ATOM 656 N LEU A 47 -0.619 -10.254 13.274 1.00 0.00 N ATOM 657 CA LEU A 47 -0.685 -9.243 12.224 1.00 0.00 C ATOM 658 C LEU A 47 -0.081 -7.936 12.721 1.00 0.00 C ATOM 659 O LEU A 47 -0.434 -7.478 13.806 1.00 0.00 O ATOM 660 CB LEU A 47 -2.153 -8.995 11.844 1.00 0.00 C ATOM 661 CG LEU A 47 -2.338 -8.044 10.642 1.00 0.00 C ATOM 662 CD1 LEU A 47 -1.858 -8.615 9.299 1.00 0.00 C ATOM 663 CD2 LEU A 47 -3.814 -7.678 10.514 1.00 0.00 C ATOM 0 H LEU A 47 -1.537 -10.632 13.509 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.127 -9.598 11.357 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.625 -9.950 11.614 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.676 -8.581 12.706 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.716 -7.174 10.851 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.026 -7.881 8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.794 -8.845 9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.413 -9.525 9.071 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.950 -7.006 9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.401 -8.583 10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.147 -7.183 11.426 1.00 0.00 H new ATOM 675 N GLN A 48 0.772 -7.320 11.911 1.00 0.00 N ATOM 676 CA GLN A 48 1.375 -6.018 12.160 1.00 0.00 C ATOM 677 C GLN A 48 0.698 -4.941 11.303 1.00 0.00 C ATOM 678 O GLN A 48 0.685 -3.768 11.679 1.00 0.00 O ATOM 679 CB GLN A 48 2.884 -6.111 11.887 1.00 0.00 C ATOM 680 CG GLN A 48 3.641 -7.055 12.842 1.00 0.00 C ATOM 681 CD GLN A 48 3.733 -6.651 14.315 1.00 0.00 C ATOM 682 OE1 GLN A 48 2.782 -6.169 14.917 1.00 0.00 O ATOM 683 NE2 GLN A 48 4.844 -6.941 14.967 1.00 0.00 N ATOM 0 H GLN A 48 1.074 -7.731 11.028 1.00 0.00 H new ATOM 0 HA GLN A 48 1.230 -5.728 13.201 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.036 -6.450 10.862 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.317 -5.114 11.961 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.166 -8.035 12.792 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.656 -7.173 12.462 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.638 -7.343 14.468 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.908 -6.763 15.969 1.00 0.00 H new ATOM 692 N GLY A 49 0.071 -5.310 10.185 1.00 0.00 N ATOM 693 CA GLY A 49 -0.814 -4.419 9.455 1.00 0.00 C ATOM 694 C GLY A 49 -0.855 -4.745 7.979 1.00 0.00 C ATOM 695 O GLY A 49 -0.394 -5.810 7.545 1.00 0.00 O ATOM 0 H GLY A 49 0.166 -6.235 9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.820 -4.488 9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.483 -3.389 9.590 1.00 0.00 H new ATOM 699 N TYR A 50 -1.380 -3.796 7.210 1.00 0.00 N ATOM 700 CA TYR A 50 -1.470 -3.862 5.761 1.00 0.00 C ATOM 701 C TYR A 50 -0.536 -2.801 5.165 1.00 0.00 C ATOM 702 O TYR A 50 -0.384 -1.698 5.704 1.00 0.00 O ATOM 703 CB TYR A 50 -2.935 -3.709 5.333 1.00 0.00 C ATOM 704 CG TYR A 50 -3.829 -4.867 5.762 1.00 0.00 C ATOM 705 CD1 TYR A 50 -3.997 -5.986 4.923 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.506 -4.828 6.997 1.00 0.00 C ATOM 707 CE1 TYR A 50 -4.858 -7.035 5.293 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.358 -5.882 7.377 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.548 -6.989 6.521 1.00 0.00 C ATOM 710 OH TYR A 50 -6.398 -7.999 6.853 1.00 0.00 O ATOM 0 H TYR A 50 -1.766 -2.933 7.594 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.141 -4.829 5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.331 -2.783 5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.978 -3.612 4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.460 -6.039 3.987 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.370 -3.984 7.657 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.991 -7.880 4.633 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.869 -5.844 8.328 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.794 -7.818 7.731 1.00 0.00 H new ATOM 720 N ARG A 51 0.134 -3.148 4.066 1.00 0.00 N ATOM 721 CA ARG A 51 1.156 -2.360 3.386 1.00 0.00 C ATOM 722 C ARG A 51 0.636 -2.176 1.976 1.00 0.00 C ATOM 723 O ARG A 51 0.736 -3.092 1.169 1.00 0.00 O ATOM 724 CB ARG A 51 2.543 -3.048 3.454 1.00 0.00 C ATOM 725 CG ARG A 51 3.570 -2.322 2.569 1.00 0.00 C ATOM 726 CD ARG A 51 5.048 -2.655 2.842 1.00 0.00 C ATOM 727 NE ARG A 51 5.473 -4.067 2.679 1.00 0.00 N ATOM 728 CZ ARG A 51 6.214 -4.727 3.580 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.252 -4.288 4.825 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.921 -5.808 3.272 1.00 0.00 N ATOM 0 H ARG A 51 -0.034 -4.040 3.601 1.00 0.00 H new ATOM 0 HA ARG A 51 1.323 -1.392 3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.894 -3.062 4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.453 -4.086 3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.352 -2.555 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.431 -1.248 2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.659 -2.041 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.279 -2.350 3.863 1.00 0.00 H new ATOM 0 HE ARG A 51 5.186 -4.563 1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.722 -3.458 5.089 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.811 -4.779 5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.914 -6.167 2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.471 -6.279 3.990 1.00 0.00 H new ATOM 744 N ILE A 52 0.004 -1.033 1.712 1.00 0.00 N ATOM 745 CA ILE A 52 -0.448 -0.702 0.383 1.00 0.00 C ATOM 746 C ILE A 52 0.797 -0.241 -0.364 1.00 0.00 C ATOM 747 O ILE A 52 1.438 0.738 0.037 1.00 0.00 O ATOM 748 CB ILE A 52 -1.577 0.352 0.397 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.822 -0.171 1.142 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.950 0.772 -1.036 1.00 0.00 C ATOM 751 CD1 ILE A 52 -3.924 0.887 1.256 1.00 0.00 C ATOM 0 H ILE A 52 -0.203 -0.323 2.415 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.901 -1.559 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.205 1.226 0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.214 -1.044 0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.533 -0.499 2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.747 1.515 -1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.077 1.199 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.291 -0.100 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.777 0.467 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.544 1.751 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.235 1.197 0.258 1.00 0.00 H new ATOM 763 N TYR A 53 1.128 -0.923 -1.447 1.00 0.00 N ATOM 764 CA TYR A 53 2.060 -0.461 -2.460 1.00 0.00 C ATOM 765 C TYR A 53 1.223 0.259 -3.503 1.00 0.00 C ATOM 766 O TYR A 53 0.114 -0.178 -3.789 1.00 0.00 O ATOM 767 CB TYR A 53 2.775 -1.657 -3.087 1.00 0.00 C ATOM 768 CG TYR A 53 3.872 -2.253 -2.233 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.514 -3.114 -1.177 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.231 -2.002 -2.523 1.00 0.00 C ATOM 771 CE1 TYR A 53 4.505 -3.739 -0.406 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.227 -2.620 -1.741 1.00 0.00 C ATOM 773 CZ TYR A 53 5.863 -3.488 -0.686 1.00 0.00 C ATOM 774 OH TYR A 53 6.807 -4.139 0.038 1.00 0.00 O ATOM 0 H TYR A 53 0.742 -1.845 -1.652 1.00 0.00 H new ATOM 0 HA TYR A 53 2.821 0.197 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.039 -2.432 -3.303 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.202 -1.349 -4.041 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.471 -3.294 -0.960 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.504 -1.344 -3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.229 -4.408 0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.270 -2.430 -1.948 1.00 0.00 H new ATOM 0 HH TYR A 53 7.698 -3.867 -0.267 1.00 0.00 H new ATOM 784 N TYR A 54 1.705 1.363 -4.066 1.00 0.00 N ATOM 785 CA TYR A 54 1.083 2.030 -5.194 1.00 0.00 C ATOM 786 C TYR A 54 2.126 2.756 -6.026 1.00 0.00 C ATOM 787 O TYR A 54 3.283 2.896 -5.603 1.00 0.00 O ATOM 788 CB TYR A 54 -0.006 2.989 -4.701 1.00 0.00 C ATOM 789 CG TYR A 54 0.473 4.193 -3.932 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.878 5.367 -4.591 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.459 4.131 -2.535 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.272 6.490 -3.841 1.00 0.00 C ATOM 793 CE2 TYR A 54 0.914 5.229 -1.778 1.00 0.00 C ATOM 794 CZ TYR A 54 1.285 6.425 -2.429 1.00 0.00 C ATOM 795 OH TYR A 54 1.644 7.501 -1.682 1.00 0.00 O ATOM 0 H TYR A 54 2.555 1.824 -3.741 1.00 0.00 H new ATOM 0 HA TYR A 54 0.613 1.283 -5.834 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.574 3.336 -5.564 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.696 2.430 -4.069 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.887 5.407 -5.670 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.100 3.243 -2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.564 7.400 -4.343 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.979 5.156 -0.702 1.00 0.00 H new ATOM 0 HH TYR A 54 1.592 7.271 -0.731 1.00 0.00 H new ATOM 805 N TRP A 55 1.740 3.163 -7.231 1.00 0.00 N ATOM 806 CA TRP A 55 2.545 4.021 -8.074 1.00 0.00 C ATOM 807 C TRP A 55 1.674 4.906 -8.963 1.00 0.00 C ATOM 808 O TRP A 55 0.513 4.577 -9.247 1.00 0.00 O ATOM 809 CB TRP A 55 3.526 3.151 -8.857 1.00 0.00 C ATOM 810 CG TRP A 55 2.975 2.089 -9.766 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.792 2.190 -11.102 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.541 0.739 -9.411 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.300 0.997 -11.598 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.097 0.077 -10.592 1.00 0.00 C ATOM 815 CE3 TRP A 55 2.475 0.009 -8.204 1.00 0.00 C ATOM 816 CZ2 TRP A 55 1.577 -1.227 -10.565 1.00 0.00 C ATOM 817 CZ3 TRP A 55 1.923 -1.282 -8.155 1.00 0.00 C ATOM 818 CH2 TRP A 55 1.459 -1.891 -9.331 1.00 0.00 C ATOM 0 H TRP A 55 0.848 2.900 -7.649 1.00 0.00 H new ATOM 0 HA TRP A 55 3.122 4.716 -7.463 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.148 3.813 -9.460 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.184 2.663 -8.138 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.999 3.070 -11.693 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.111 0.820 -12.585 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.858 0.454 -7.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.272 -1.714 -11.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.856 -1.805 -7.213 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.010 -2.872 -9.288 1.00 0.00 H new ATOM 829 N LYS A 56 2.256 6.006 -9.447 1.00 0.00 N ATOM 830 CA LYS A 56 1.627 6.881 -10.421 1.00 0.00 C ATOM 831 C LYS A 56 1.563 6.099 -11.721 1.00 0.00 C ATOM 832 O LYS A 56 2.517 5.401 -12.066 1.00 0.00 O ATOM 833 CB LYS A 56 2.504 8.145 -10.557 1.00 0.00 C ATOM 834 CG LYS A 56 1.916 9.294 -11.392 1.00 0.00 C ATOM 835 CD LYS A 56 0.756 10.003 -10.679 1.00 0.00 C ATOM 836 CE LYS A 56 0.552 11.474 -11.084 1.00 0.00 C ATOM 837 NZ LYS A 56 1.286 12.406 -10.196 1.00 0.00 N ATOM 0 H LYS A 56 3.188 6.312 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 56 0.623 7.194 -10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.717 8.523 -9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.457 7.854 -10.998 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.701 10.018 -11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.567 8.903 -12.348 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.165 9.455 -10.879 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.927 9.957 -9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.886 11.616 -12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.511 11.712 -11.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.232 13.370 -10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.860 12.389 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.282 12.114 -10.133 1.00 0.00 H new ATOM 851 N THR A 57 0.439 6.159 -12.420 1.00 0.00 N ATOM 852 CA THR A 57 0.226 5.413 -13.645 1.00 0.00 C ATOM 853 C THR A 57 -0.142 6.423 -14.727 1.00 0.00 C ATOM 854 O THR A 57 -0.827 7.412 -14.469 1.00 0.00 O ATOM 855 CB THR A 57 -0.852 4.350 -13.384 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.462 3.518 -12.302 1.00 0.00 O ATOM 857 CG2 THR A 57 -1.098 3.438 -14.585 1.00 0.00 C ATOM 0 H THR A 57 -0.358 6.734 -12.147 1.00 0.00 H new ATOM 0 HA THR A 57 1.111 4.874 -13.984 1.00 0.00 H new ATOM 0 HB THR A 57 -1.767 4.901 -13.167 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.509 3.390 -12.321 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.870 2.710 -14.337 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.424 4.037 -15.436 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.176 2.916 -14.841 1.00 0.00 H new ATOM 865 N GLN A 58 0.344 6.205 -15.944 1.00 0.00 N ATOM 866 CA GLN A 58 0.093 7.079 -17.089 1.00 0.00 C ATOM 867 C GLN A 58 0.018 6.272 -18.391 1.00 0.00 C ATOM 868 O GLN A 58 -0.089 6.850 -19.472 1.00 0.00 O ATOM 869 CB GLN A 58 1.130 8.221 -17.111 1.00 0.00 C ATOM 870 CG GLN A 58 2.591 7.770 -16.947 1.00 0.00 C ATOM 871 CD GLN A 58 3.575 8.926 -16.767 1.00 0.00 C ATOM 872 OE1 GLN A 58 3.250 10.003 -16.270 1.00 0.00 O ATOM 873 NE2 GLN A 58 4.829 8.698 -17.108 1.00 0.00 N ATOM 0 H GLN A 58 0.933 5.403 -16.168 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.885 7.551 -16.990 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.035 8.761 -18.053 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.891 8.925 -16.314 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.662 7.106 -16.085 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.883 7.189 -17.822 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.091 7.802 -17.520 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.537 9.418 -16.960 1.00 0.00 H new ATOM 882 N SER A 59 0.053 4.942 -18.297 1.00 0.00 N ATOM 883 CA SER A 59 -0.272 4.000 -19.349 1.00 0.00 C ATOM 884 C SER A 59 -0.912 2.773 -18.712 1.00 0.00 C ATOM 885 O SER A 59 -0.565 2.401 -17.586 1.00 0.00 O ATOM 886 CB SER A 59 0.993 3.530 -20.070 1.00 0.00 C ATOM 887 OG SER A 59 1.683 4.573 -20.728 1.00 0.00 O ATOM 0 H SER A 59 0.325 4.475 -17.432 1.00 0.00 H new ATOM 0 HA SER A 59 -0.938 4.489 -20.060 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.661 3.061 -19.348 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.724 2.765 -20.799 1.00 0.00 H new ATOM 0 HG SER A 59 1.202 5.417 -20.597 1.00 0.00 H new ATOM 893 N SER A 60 -1.756 2.098 -19.484 1.00 0.00 N ATOM 894 CA SER A 60 -2.217 0.748 -19.210 1.00 0.00 C ATOM 895 C SER A 60 -2.251 -0.091 -20.497 1.00 0.00 C ATOM 896 O SER A 60 -2.720 -1.229 -20.476 1.00 0.00 O ATOM 897 CB SER A 60 -3.575 0.821 -18.505 1.00 0.00 C ATOM 898 OG SER A 60 -3.779 -0.322 -17.702 1.00 0.00 O ATOM 0 H SER A 60 -2.148 2.488 -20.341 1.00 0.00 H new ATOM 0 HA SER A 60 -1.520 0.240 -18.543 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.623 1.719 -17.889 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.371 0.899 -19.245 1.00 0.00 H new ATOM 0 HG SER A 60 -4.650 -0.258 -17.258 1.00 0.00 H new ATOM 904 N SER A 61 -1.791 0.454 -21.630 1.00 0.00 N ATOM 905 CA SER A 61 -1.862 -0.154 -22.947 1.00 0.00 C ATOM 906 C SER A 61 -0.488 -0.011 -23.612 1.00 0.00 C ATOM 907 O SER A 61 -0.187 1.019 -24.221 1.00 0.00 O ATOM 908 CB SER A 61 -3.014 0.491 -23.741 1.00 0.00 C ATOM 909 OG SER A 61 -3.791 -0.492 -24.394 1.00 0.00 O ATOM 0 H SER A 61 -1.342 1.370 -21.645 1.00 0.00 H new ATOM 0 HA SER A 61 -2.088 -1.219 -22.899 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.645 1.070 -23.067 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.609 1.187 -24.476 1.00 0.00 H new ATOM 0 HG SER A 61 -4.517 -0.059 -24.890 1.00 0.00 H new ATOM 915 N LYS A 62 0.331 -1.059 -23.454 1.00 0.00 N ATOM 916 CA LYS A 62 1.691 -1.312 -23.956 1.00 0.00 C ATOM 917 C LYS A 62 2.743 -0.888 -22.937 1.00 0.00 C ATOM 918 O LYS A 62 2.789 0.268 -22.508 1.00 0.00 O ATOM 919 CB LYS A 62 2.006 -0.737 -25.347 1.00 0.00 C ATOM 920 CG LYS A 62 1.119 -1.371 -26.428 1.00 0.00 C ATOM 921 CD LYS A 62 1.748 -1.263 -27.821 1.00 0.00 C ATOM 922 CE LYS A 62 1.017 -2.203 -28.784 1.00 0.00 C ATOM 923 NZ LYS A 62 1.732 -2.373 -30.063 1.00 0.00 N ATOM 0 H LYS A 62 0.014 -1.854 -22.898 1.00 0.00 H new ATOM 0 HA LYS A 62 1.730 -2.393 -24.094 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.857 0.343 -25.339 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.055 -0.912 -25.586 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.948 -2.420 -26.188 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.145 -0.882 -26.431 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.687 -0.236 -28.181 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.806 -1.522 -27.775 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.891 -3.177 -28.310 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.018 -1.812 -28.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.195 -3.018 -30.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.830 -1.450 -30.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.676 -2.772 -29.883 1.00 0.00 H new ATOM 937 N ARG A 63 3.575 -1.858 -22.541 1.00 0.00 N ATOM 938 CA ARG A 63 4.618 -1.723 -21.528 1.00 0.00 C ATOM 939 C ARG A 63 5.799 -0.956 -22.117 1.00 0.00 C ATOM 940 O ARG A 63 6.777 -1.560 -22.565 1.00 0.00 O ATOM 941 CB ARG A 63 5.079 -3.106 -21.041 1.00 0.00 C ATOM 942 CG ARG A 63 3.965 -4.010 -20.499 1.00 0.00 C ATOM 943 CD ARG A 63 4.541 -5.406 -20.238 1.00 0.00 C ATOM 944 NE ARG A 63 3.485 -6.426 -20.176 1.00 0.00 N ATOM 945 CZ ARG A 63 3.623 -7.721 -20.495 1.00 0.00 C ATOM 946 NH1 ARG A 63 4.783 -8.198 -20.943 1.00 0.00 N ATOM 947 NH2 ARG A 63 2.588 -8.541 -20.372 1.00 0.00 N ATOM 0 H ARG A 63 3.535 -2.797 -22.937 1.00 0.00 H new ATOM 0 HA ARG A 63 4.216 -1.176 -20.675 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.572 -3.619 -21.867 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.826 -2.968 -20.259 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.556 -3.593 -19.579 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.145 -4.068 -21.215 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.248 -5.661 -21.027 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.098 -5.401 -19.301 1.00 0.00 H new ATOM 0 HE ARG A 63 2.564 -6.121 -19.862 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.584 -7.575 -21.048 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.870 -9.186 -21.181 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.693 -8.186 -20.036 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.687 -9.527 -20.613 1.00 0.00 H new ATOM 961 N ASN A 64 5.698 0.364 -22.168 1.00 0.00 N ATOM 962 CA ASN A 64 6.773 1.218 -22.673 1.00 0.00 C ATOM 963 C ASN A 64 7.902 1.296 -21.633 1.00 0.00 C ATOM 964 O ASN A 64 7.779 0.753 -20.532 1.00 0.00 O ATOM 965 CB ASN A 64 6.202 2.604 -23.008 1.00 0.00 C ATOM 966 CG ASN A 64 6.892 3.274 -24.190 1.00 0.00 C ATOM 967 OD1 ASN A 64 8.091 3.118 -24.416 1.00 0.00 O ATOM 968 ND2 ASN A 64 6.146 4.060 -24.949 1.00 0.00 N ATOM 0 H ASN A 64 4.871 0.877 -21.862 1.00 0.00 H new ATOM 0 HA ASN A 64 7.196 0.799 -23.586 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.138 2.508 -23.225 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.292 3.247 -22.132 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.563 4.551 -25.740 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.154 4.175 -24.743 1.00 0.00 H new ATOM 975 N ARG A 65 8.993 2.002 -21.935 1.00 0.00 N ATOM 976 CA ARG A 65 9.878 2.536 -20.896 1.00 0.00 C ATOM 977 C ARG A 65 9.168 3.711 -20.228 1.00 0.00 C ATOM 978 O ARG A 65 8.495 4.470 -20.932 1.00 0.00 O ATOM 979 CB ARG A 65 11.233 2.972 -21.494 1.00 0.00 C ATOM 980 CG ARG A 65 11.104 4.102 -22.531 1.00 0.00 C ATOM 981 CD ARG A 65 12.416 4.418 -23.256 1.00 0.00 C ATOM 982 NE ARG A 65 13.169 5.527 -22.643 1.00 0.00 N ATOM 983 CZ ARG A 65 14.424 5.508 -22.170 1.00 0.00 C ATOM 984 NH1 ARG A 65 15.137 4.388 -22.092 1.00 0.00 N ATOM 985 NH2 ARG A 65 14.980 6.640 -21.767 1.00 0.00 N ATOM 0 H ARG A 65 9.285 2.217 -22.888 1.00 0.00 H new ATOM 0 HA ARG A 65 10.093 1.764 -20.157 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.889 3.301 -20.688 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.710 2.111 -21.962 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.349 3.825 -23.267 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.747 5.003 -22.032 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.041 3.525 -23.266 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.198 4.666 -24.295 1.00 0.00 H new ATOM 0 HE ARG A 65 12.676 6.417 -22.570 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.732 3.503 -22.398 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.089 4.414 -21.726 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.455 7.513 -21.818 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.934 6.639 -21.405 1.00 0.00 H new ATOM 999 N ARG A 66 9.389 3.932 -18.929 1.00 0.00 N ATOM 1000 CA ARG A 66 9.335 5.253 -18.305 1.00 0.00 C ATOM 1001 C ARG A 66 9.900 5.188 -16.888 1.00 0.00 C ATOM 1002 O ARG A 66 10.014 4.105 -16.305 1.00 0.00 O ATOM 1003 CB ARG A 66 7.889 5.800 -18.275 1.00 0.00 C ATOM 1004 CG ARG A 66 7.817 7.269 -18.705 1.00 0.00 C ATOM 1005 CD ARG A 66 8.161 7.479 -20.194 1.00 0.00 C ATOM 1006 NE ARG A 66 8.488 8.873 -20.537 1.00 0.00 N ATOM 1007 CZ ARG A 66 7.706 9.951 -20.413 1.00 0.00 C ATOM 1008 NH1 ARG A 66 6.462 9.846 -19.951 1.00 0.00 N ATOM 1009 NH2 ARG A 66 8.181 11.140 -20.753 1.00 0.00 N ATOM 0 H ARG A 66 9.614 3.184 -18.273 1.00 0.00 H new ATOM 0 HA ARG A 66 9.942 5.933 -18.903 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.261 5.199 -18.933 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.484 5.698 -17.268 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.814 7.649 -18.512 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.503 7.855 -18.093 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.006 6.842 -20.455 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.317 7.153 -20.802 1.00 0.00 H new ATOM 0 HE ARG A 66 9.422 9.036 -20.914 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.092 8.933 -19.685 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.879 10.678 -19.863 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.134 11.227 -21.105 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.593 11.969 -20.663 1.00 0.00 H new ATOM 1023 N HIS A 67 10.207 6.348 -16.312 1.00 0.00 N ATOM 1024 CA HIS A 67 10.346 6.495 -14.868 1.00 0.00 C ATOM 1025 C HIS A 67 8.961 6.331 -14.245 1.00 0.00 C ATOM 1026 O HIS A 67 7.965 6.744 -14.845 1.00 0.00 O ATOM 1027 CB HIS A 67 10.899 7.887 -14.528 1.00 0.00 C ATOM 1028 CG HIS A 67 12.193 8.229 -15.223 1.00 0.00 C ATOM 1029 ND1 HIS A 67 12.545 9.478 -15.683 1.00 0.00 N ATOM 1030 CD2 HIS A 67 13.206 7.363 -15.545 1.00 0.00 C ATOM 1031 CE1 HIS A 67 13.751 9.372 -16.263 1.00 0.00 C ATOM 1032 NE2 HIS A 67 14.188 8.100 -16.214 1.00 0.00 N ATOM 0 H HIS A 67 10.366 7.210 -16.833 1.00 0.00 H new ATOM 0 HA HIS A 67 11.036 5.745 -14.480 1.00 0.00 H new ATOM 0 HB2 HIS A 67 10.151 8.636 -14.789 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.051 7.951 -13.451 1.00 0.00 H new ATOM 0 HD2 HIS A 67 13.239 6.307 -15.323 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.295 10.193 -16.707 1.00 0.00 H new ATOM 0 HE2 HIS A 67 15.066 7.743 -16.592 1.00 0.00 H new ATOM 1040 N ILE A 68 8.886 5.765 -13.043 1.00 0.00 N ATOM 1041 CA ILE A 68 7.658 5.619 -12.278 1.00 0.00 C ATOM 1042 C ILE A 68 7.989 6.062 -10.862 1.00 0.00 C ATOM 1043 O ILE A 68 8.931 5.557 -10.253 1.00 0.00 O ATOM 1044 CB ILE A 68 7.130 4.169 -12.339 1.00 0.00 C ATOM 1045 CG1 ILE A 68 6.801 3.758 -13.794 1.00 0.00 C ATOM 1046 CG2 ILE A 68 5.897 4.007 -11.438 1.00 0.00 C ATOM 1047 CD1 ILE A 68 6.222 2.346 -13.949 1.00 0.00 C ATOM 0 H ILE A 68 9.703 5.386 -12.564 1.00 0.00 H new ATOM 0 HA ILE A 68 6.853 6.230 -12.687 1.00 0.00 H new ATOM 0 HB ILE A 68 7.915 3.507 -11.973 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.090 4.474 -14.207 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.710 3.830 -14.391 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.538 2.979 -11.493 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.165 4.243 -10.408 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.111 4.684 -11.772 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.023 2.148 -15.002 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.938 1.616 -13.571 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.293 2.270 -13.384 1.00 0.00 H new ATOM 1059 N GLU A 69 7.227 7.019 -10.347 1.00 0.00 N ATOM 1060 CA GLU A 69 7.205 7.376 -8.954 1.00 0.00 C ATOM 1061 C GLU A 69 6.402 6.306 -8.232 1.00 0.00 C ATOM 1062 O GLU A 69 5.169 6.238 -8.329 1.00 0.00 O ATOM 1063 CB GLU A 69 6.595 8.763 -8.814 1.00 0.00 C ATOM 1064 CG GLU A 69 6.622 9.204 -7.357 1.00 0.00 C ATOM 1065 CD GLU A 69 5.965 10.569 -7.139 1.00 0.00 C ATOM 1066 OE1 GLU A 69 4.716 10.657 -7.235 1.00 0.00 O ATOM 1067 OE2 GLU A 69 6.682 11.550 -6.830 1.00 0.00 O ATOM 0 H GLU A 69 6.591 7.579 -10.914 1.00 0.00 H new ATOM 0 HA GLU A 69 8.202 7.420 -8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.147 9.475 -9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.568 8.756 -9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.112 8.459 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.656 9.244 -7.013 1.00 0.00 H new ATOM 1074 N LYS A 70 7.130 5.428 -7.561 1.00 0.00 N ATOM 1075 CA LYS A 70 6.603 4.392 -6.698 1.00 0.00 C ATOM 1076 C LYS A 70 6.593 4.847 -5.248 1.00 0.00 C ATOM 1077 O LYS A 70 7.326 5.763 -4.870 1.00 0.00 O ATOM 1078 CB LYS A 70 7.488 3.149 -6.859 1.00 0.00 C ATOM 1079 CG LYS A 70 6.640 2.030 -7.443 1.00 0.00 C ATOM 1080 CD LYS A 70 7.438 0.743 -7.575 1.00 0.00 C ATOM 1081 CE LYS A 70 8.195 0.802 -8.912 1.00 0.00 C ATOM 1082 NZ LYS A 70 8.975 -0.417 -9.161 1.00 0.00 N ATOM 0 H LYS A 70 8.149 5.421 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 70 5.574 4.166 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.332 3.366 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.900 2.849 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.772 1.858 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.264 2.329 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.136 0.638 -6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.776 -0.123 -7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.483 0.948 -9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.862 1.664 -8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.469 -0.333 -10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.672 -0.544 -8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.337 -1.238 -9.187 1.00 0.00 H new ATOM 1096 N LYS A 71 5.808 4.153 -4.426 1.00 0.00 N ATOM 1097 CA LYS A 71 5.654 4.395 -3.000 1.00 0.00 C ATOM 1098 C LYS A 71 5.367 3.106 -2.265 1.00 0.00 C ATOM 1099 O LYS A 71 5.172 2.055 -2.893 1.00 0.00 O ATOM 1100 CB LYS A 71 4.504 5.409 -2.792 1.00 0.00 C ATOM 1101 CG LYS A 71 4.961 6.868 -2.689 1.00 0.00 C ATOM 1102 CD LYS A 71 5.639 7.138 -1.343 1.00 0.00 C ATOM 1103 CE LYS A 71 5.951 8.633 -1.223 1.00 0.00 C ATOM 1104 NZ LYS A 71 6.763 8.947 -0.032 1.00 0.00 N ATOM 0 H LYS A 71 5.238 3.373 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 71 6.581 4.803 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.801 5.318 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.962 5.145 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.653 7.094 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.104 7.530 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.989 6.824 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.557 6.556 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.480 8.963 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.017 9.193 -1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.946 9.970 0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.249 8.658 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.667 8.435 -0.083 1.00 0.00 H new ATOM 1118 N ILE A 72 5.383 3.229 -0.937 1.00 0.00 N ATOM 1119 CA ILE A 72 4.899 2.289 0.060 1.00 0.00 C ATOM 1120 C ILE A 72 4.062 3.149 1.033 1.00 0.00 C ATOM 1121 O ILE A 72 4.333 4.345 1.173 1.00 0.00 O ATOM 1122 CB ILE A 72 6.086 1.552 0.703 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.921 0.791 -0.358 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.576 0.523 1.710 1.00 0.00 C ATOM 1125 CD1 ILE A 72 8.303 1.388 -0.553 1.00 0.00 C ATOM 0 H ILE A 72 5.770 4.065 -0.499 1.00 0.00 H new ATOM 0 HA ILE A 72 4.277 1.488 -0.340 1.00 0.00 H new ATOM 0 HB ILE A 72 6.708 2.304 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.019 -0.252 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.388 0.800 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.422 0.005 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.003 1.028 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.938 -0.199 1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.844 0.816 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.209 2.423 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.850 1.355 0.389 1.00 0.00 H new ATOM 1137 N LEU A 73 3.025 2.580 1.660 1.00 0.00 N ATOM 1138 CA LEU A 73 2.061 3.261 2.527 1.00 0.00 C ATOM 1139 C LEU A 73 1.872 2.438 3.816 1.00 0.00 C ATOM 1140 O LEU A 73 2.106 1.223 3.792 1.00 0.00 O ATOM 1141 CB LEU A 73 0.741 3.359 1.759 1.00 0.00 C ATOM 1142 CG LEU A 73 -0.250 4.384 2.259 1.00 0.00 C ATOM 1143 CD1 LEU A 73 0.333 5.768 2.277 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -1.382 4.400 1.262 1.00 0.00 C ATOM 0 H LEU A 73 2.828 1.583 1.571 1.00 0.00 H new ATOM 0 HA LEU A 73 2.409 4.257 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.968 3.582 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.261 2.381 1.778 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.554 4.122 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.414 6.473 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.203 5.788 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.633 6.049 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.132 5.127 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.998 4.674 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.836 3.410 1.211 1.00 0.00 H new ATOM 1156 N THR A 74 1.352 3.018 4.906 1.00 0.00 N ATOM 1157 CA THR A 74 1.298 2.367 6.223 1.00 0.00 C ATOM 1158 C THR A 74 -0.101 2.467 6.854 1.00 0.00 C ATOM 1159 O THR A 74 -0.562 3.577 7.120 1.00 0.00 O ATOM 1160 CB THR A 74 2.359 3.013 7.139 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.600 3.107 6.471 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.577 2.223 8.434 1.00 0.00 C ATOM 0 H THR A 74 0.955 3.957 4.899 1.00 0.00 H new ATOM 0 HA THR A 74 1.511 1.305 6.099 1.00 0.00 H new ATOM 0 HB THR A 74 1.979 4.003 7.392 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.261 3.520 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.333 2.721 9.041 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.641 2.171 8.990 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.912 1.214 8.193 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.729 1.323 7.171 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.878 1.198 8.072 1.00 0.00 C ATOM 1172 C PHE A 75 -1.599 -0.020 8.938 1.00 0.00 C ATOM 1173 O PHE A 75 -1.442 -1.128 8.418 1.00 0.00 O ATOM 1174 CB PHE A 75 -3.219 1.043 7.331 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.409 2.118 6.293 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.707 3.441 6.674 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -3.073 1.821 4.966 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.589 4.480 5.736 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.909 2.861 4.049 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.146 4.184 4.435 1.00 0.00 C ATOM 0 H PHE A 75 -0.435 0.424 6.788 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.986 2.110 8.660 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.260 0.064 6.853 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.038 1.081 8.049 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.025 3.656 7.684 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.942 0.795 4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.836 5.495 6.011 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.598 2.643 3.038 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.987 4.985 3.728 1.00 0.00 H new ATOM 1190 N GLN A 76 -1.433 0.194 10.238 1.00 0.00 N ATOM 1191 CA GLN A 76 -1.140 -0.879 11.170 1.00 0.00 C ATOM 1192 C GLN A 76 -2.422 -1.613 11.549 1.00 0.00 C ATOM 1193 O GLN A 76 -3.532 -1.088 11.399 1.00 0.00 O ATOM 1194 CB GLN A 76 -0.444 -0.307 12.411 1.00 0.00 C ATOM 1195 CG GLN A 76 0.953 0.200 12.044 1.00 0.00 C ATOM 1196 CD GLN A 76 1.627 0.874 13.229 1.00 0.00 C ATOM 1197 OE1 GLN A 76 2.028 0.225 14.194 1.00 0.00 O ATOM 1198 NE2 GLN A 76 1.791 2.180 13.182 1.00 0.00 N ATOM 0 H GLN A 76 -1.498 1.115 10.671 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.470 -1.597 10.697 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.037 0.507 12.827 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.370 -1.074 13.182 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.566 -0.633 11.701 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.880 0.905 11.216 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.454 2.708 12.377 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.255 2.664 13.951 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.237 -2.812 12.092 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.297 -3.621 12.660 1.00 0.00 C ATOM 1209 C GLY A 77 -4.326 -4.102 11.645 1.00 0.00 C ATOM 1210 O GLY A 77 -4.172 -3.952 10.434 1.00 0.00 O ATOM 0 H GLY A 77 -1.320 -3.255 12.148 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.854 -4.488 13.151 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.806 -3.043 13.431 1.00 0.00 H new ATOM 1214 N SER A 78 -5.374 -4.725 12.174 1.00 0.00 N ATOM 1215 CA SER A 78 -6.390 -5.481 11.452 1.00 0.00 C ATOM 1216 C SER A 78 -7.399 -4.629 10.661 1.00 0.00 C ATOM 1217 O SER A 78 -8.431 -5.163 10.251 1.00 0.00 O ATOM 1218 CB SER A 78 -7.076 -6.393 12.476 1.00 0.00 C ATOM 1219 OG SER A 78 -6.121 -7.144 13.221 1.00 0.00 O ATOM 0 H SER A 78 -5.547 -4.715 13.179 1.00 0.00 H new ATOM 0 HA SER A 78 -5.900 -6.058 10.668 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.679 -5.791 13.156 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.756 -7.073 11.963 1.00 0.00 H new ATOM 0 HG SER A 78 -6.586 -7.715 13.867 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.139 -3.332 10.443 1.00 0.00 N ATOM 1226 CA LYS A 79 -7.973 -2.442 9.646 1.00 0.00 C ATOM 1227 C LYS A 79 -8.274 -3.022 8.266 1.00 0.00 C ATOM 1228 O LYS A 79 -7.421 -3.655 7.648 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.237 -1.098 9.507 1.00 0.00 C ATOM 1230 CG LYS A 79 -7.664 -0.089 10.571 1.00 0.00 C ATOM 1231 CD LYS A 79 -7.327 -0.412 12.030 1.00 0.00 C ATOM 1232 CE LYS A 79 -8.098 0.540 12.961 1.00 0.00 C ATOM 1233 NZ LYS A 79 -9.477 0.068 13.225 1.00 0.00 N ATOM 0 H LYS A 79 -6.318 -2.867 10.830 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.932 -2.310 10.148 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.162 -1.266 9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.429 -0.682 8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.209 0.871 10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.744 0.041 10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.588 -1.446 12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.255 -0.311 12.197 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.562 0.636 13.905 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.135 1.533 12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.959 0.740 13.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.999 0.001 12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.443 -0.868 13.677 1.00 0.00 H new ATOM 1247 N THR A 80 -9.453 -2.699 7.751 1.00 0.00 N ATOM 1248 CA THR A 80 -9.980 -3.179 6.482 1.00 0.00 C ATOM 1249 C THR A 80 -10.021 -2.073 5.423 1.00 0.00 C ATOM 1250 O THR A 80 -10.559 -2.270 4.328 1.00 0.00 O ATOM 1251 CB THR A 80 -11.365 -3.771 6.764 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.097 -2.875 7.586 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.211 -5.107 7.495 1.00 0.00 C ATOM 0 H THR A 80 -10.096 -2.067 8.228 1.00 0.00 H new ATOM 0 HA THR A 80 -9.326 -3.944 6.063 1.00 0.00 H new ATOM 0 HB THR A 80 -11.892 -3.927 5.823 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.985 -3.249 7.768 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.196 -5.528 7.695 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.641 -5.798 6.874 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.686 -4.948 8.437 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.489 -0.891 5.739 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.358 0.210 4.808 1.00 0.00 C ATOM 1263 C HIS A 81 -8.090 1.001 5.112 1.00 0.00 C ATOM 1264 O HIS A 81 -7.580 0.970 6.238 1.00 0.00 O ATOM 1265 CB HIS A 81 -10.603 1.125 4.818 1.00 0.00 C ATOM 1266 CG HIS A 81 -10.840 1.909 6.095 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -11.295 3.210 6.158 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -10.636 1.492 7.386 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -11.311 3.587 7.446 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -10.902 2.574 8.231 1.00 0.00 N ATOM 0 H HIS A 81 -9.133 -0.677 6.670 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.281 -0.205 3.803 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.518 1.831 3.992 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.482 0.511 4.623 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -11.572 3.786 5.363 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.326 0.505 7.695 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.609 4.562 7.801 1.00 0.00 H new ATOM 1278 N GLY A 82 -7.619 1.750 4.122 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.495 2.668 4.187 1.00 0.00 C ATOM 1280 C GLY A 82 -6.731 3.780 3.171 1.00 0.00 C ATOM 1281 O GLY A 82 -7.666 3.694 2.377 1.00 0.00 O ATOM 0 H GLY A 82 -8.041 1.729 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.400 3.083 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.564 2.145 3.969 1.00 0.00 H new ATOM 1285 N MET A 83 -5.925 4.842 3.198 1.00 0.00 N ATOM 1286 CA MET A 83 -6.232 6.078 2.479 1.00 0.00 C ATOM 1287 C MET A 83 -4.986 6.641 1.811 1.00 0.00 C ATOM 1288 O MET A 83 -3.895 6.575 2.374 1.00 0.00 O ATOM 1289 CB MET A 83 -6.855 7.105 3.439 1.00 0.00 C ATOM 1290 CG MET A 83 -8.103 6.518 4.109 1.00 0.00 C ATOM 1291 SD MET A 83 -9.200 7.667 4.959 1.00 0.00 S ATOM 1292 CE MET A 83 -9.840 8.530 3.508 1.00 0.00 C ATOM 0 H MET A 83 -5.046 4.870 3.716 1.00 0.00 H new ATOM 0 HA MET A 83 -6.955 5.855 1.694 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.127 7.392 4.198 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.119 8.010 2.893 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.683 5.999 3.346 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.778 5.766 4.829 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.921 8.640 3.598 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.379 9.515 3.438 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.607 7.956 2.611 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.149 7.226 0.628 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.110 7.730 -0.265 1.00 0.00 C ATOM 1304 C LEU A 84 -4.180 9.266 -0.284 1.00 0.00 C ATOM 1305 O LEU A 84 -4.859 9.806 -1.151 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.367 7.161 -1.683 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.655 5.864 -2.071 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.158 6.079 -2.185 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.876 4.681 -1.133 1.00 0.00 C ATOM 0 H LEU A 84 -6.081 7.371 0.239 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.120 7.423 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.440 6.999 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.087 7.926 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.109 5.605 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.676 5.141 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.955 6.830 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.765 6.420 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.326 3.816 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.521 4.937 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.939 4.444 -1.090 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.551 9.991 0.657 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.579 11.451 0.700 1.00 0.00 C ATOM 1323 C PRO A 85 -2.411 12.088 -0.058 1.00 0.00 C ATOM 1324 O PRO A 85 -1.327 11.504 -0.161 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.453 11.774 2.194 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.488 10.687 2.676 1.00 0.00 C ATOM 1327 CD PRO A 85 -2.917 9.471 1.855 1.00 0.00 C ATOM 0 HA PRO A 85 -4.482 11.841 0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.057 12.775 2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.414 11.722 2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.448 10.956 2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.583 10.507 3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.058 8.850 1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.608 8.845 2.420 1.00 0.00 H new ATOM 1335 N GLY A 86 -2.587 13.340 -0.485 1.00 0.00 N ATOM 1336 CA GLY A 86 -1.572 14.107 -1.201 1.00 0.00 C ATOM 1337 C GLY A 86 -1.243 13.473 -2.549 1.00 0.00 C ATOM 1338 O GLY A 86 -0.075 13.373 -2.929 1.00 0.00 O ATOM 0 H GLY A 86 -3.455 13.856 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.925 15.127 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.667 14.170 -0.596 1.00 0.00 H new ATOM 1342 N LEU A 87 -2.274 12.997 -3.242 1.00 0.00 N ATOM 1343 CA LEU A 87 -2.219 12.481 -4.599 1.00 0.00 C ATOM 1344 C LEU A 87 -2.616 13.598 -5.559 1.00 0.00 C ATOM 1345 O LEU A 87 -3.202 14.596 -5.139 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.199 11.298 -4.693 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.629 9.951 -4.225 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -1.582 9.371 -5.163 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -2.009 9.995 -2.829 1.00 0.00 C ATOM 0 H LEU A 87 -3.215 12.961 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.217 12.139 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.083 11.529 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.528 11.198 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.511 9.311 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.226 8.420 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.023 9.212 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.746 10.065 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.629 9.007 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.190 10.714 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.766 10.295 -2.104 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.351 13.411 -6.851 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.783 14.377 -7.861 1.00 0.00 C ATOM 1363 C GLU A 88 -4.171 13.995 -8.385 1.00 0.00 C ATOM 1364 O GLU A 88 -4.444 12.800 -8.568 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.820 14.501 -9.055 1.00 0.00 C ATOM 1366 CG GLU A 88 -0.615 15.393 -8.759 1.00 0.00 C ATOM 1367 CD GLU A 88 0.028 15.879 -10.055 1.00 0.00 C ATOM 1368 OE1 GLU A 88 0.756 15.086 -10.698 1.00 0.00 O ATOM 1369 OE2 GLU A 88 -0.176 17.065 -10.414 1.00 0.00 O ATOM 0 H GLU A 88 -1.844 12.607 -7.221 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.801 15.346 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.470 13.508 -9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.361 14.903 -9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.928 16.248 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.116 14.841 -8.169 1.00 0.00 H new ATOM 1376 N PRO A 89 -5.020 14.986 -8.700 1.00 0.00 N ATOM 1377 CA PRO A 89 -6.223 14.785 -9.488 1.00 0.00 C ATOM 1378 C PRO A 89 -5.900 14.457 -10.961 1.00 0.00 C ATOM 1379 O PRO A 89 -4.752 14.574 -11.391 1.00 0.00 O ATOM 1380 CB PRO A 89 -7.011 16.083 -9.373 1.00 0.00 C ATOM 1381 CG PRO A 89 -6.075 17.122 -8.752 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.754 16.404 -8.549 1.00 0.00 C ATOM 0 HA PRO A 89 -6.793 13.932 -9.120 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.357 16.412 -10.353 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.897 15.943 -8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.956 17.985 -9.407 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.471 17.492 -7.806 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -4.016 16.739 -9.278 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.346 16.618 -7.561 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.937 14.098 -11.729 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.963 13.878 -13.178 1.00 0.00 C ATOM 1392 C PHE A 90 -5.787 13.041 -13.706 1.00 0.00 C ATOM 1393 O PHE A 90 -5.327 13.222 -14.840 1.00 0.00 O ATOM 1394 CB PHE A 90 -7.242 15.212 -13.896 1.00 0.00 C ATOM 1395 CG PHE A 90 -8.024 15.180 -15.200 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -8.249 14.007 -15.948 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -8.583 16.390 -15.642 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -9.007 14.058 -17.132 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -9.351 16.446 -16.818 1.00 0.00 C ATOM 1400 CZ PHE A 90 -9.560 15.276 -17.568 1.00 0.00 C ATOM 0 H PHE A 90 -7.856 13.941 -11.316 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.798 13.223 -13.426 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.780 15.857 -13.201 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.282 15.689 -14.096 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.838 13.066 -15.611 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.420 17.291 -15.070 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.165 13.159 -17.709 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -9.778 17.383 -17.143 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.143 15.312 -18.476 1.00 0.00 H new ATOM 1410 N SER A 91 -5.349 12.075 -12.898 1.00 0.00 N ATOM 1411 CA SER A 91 -4.294 11.110 -13.170 1.00 0.00 C ATOM 1412 C SER A 91 -4.877 9.689 -13.141 1.00 0.00 C ATOM 1413 O SER A 91 -6.095 9.510 -13.028 1.00 0.00 O ATOM 1414 CB SER A 91 -3.141 11.342 -12.177 1.00 0.00 C ATOM 1415 OG SER A 91 -2.124 12.087 -12.820 1.00 0.00 O ATOM 0 H SER A 91 -5.754 11.941 -11.971 1.00 0.00 H new ATOM 0 HA SER A 91 -3.877 11.241 -14.169 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.502 11.877 -11.299 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.746 10.388 -11.829 1.00 0.00 H new ATOM 0 HG SER A 91 -1.883 12.858 -12.265 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.016 8.679 -13.288 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.332 7.272 -13.096 1.00 0.00 C ATOM 1423 C HIS A 92 -3.343 6.733 -12.069 1.00 0.00 C ATOM 1424 O HIS A 92 -2.222 7.242 -11.958 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.203 6.517 -14.431 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.187 5.386 -14.620 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -6.539 5.521 -14.790 1.00 0.00 N flip ATOM 1428 CD2 HIS A 92 -4.882 4.054 -14.786 1.00 0.00 C flip ATOM 1429 CE1 HIS A 92 -7.075 4.259 -15.084 1.00 0.00 C flip ATOM 1430 NE2 HIS A 92 -6.028 3.410 -15.059 1.00 0.00 N flip ATOM 0 H HIS A 92 -3.043 8.831 -13.554 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.355 7.139 -12.745 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.328 7.228 -15.247 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.192 6.117 -14.509 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.901 3.609 -14.710 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.108 4.018 -15.287 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -6.098 2.406 -15.226 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.722 5.681 -11.352 1.00 0.00 N ATOM 1439 CA TYR A 93 -2.864 5.049 -10.368 1.00 0.00 C ATOM 1440 C TYR A 93 -3.118 3.555 -10.344 1.00 0.00 C ATOM 1441 O TYR A 93 -4.193 3.099 -10.740 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.132 5.635 -8.985 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.932 7.123 -8.881 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -3.996 8.000 -9.158 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -1.662 7.619 -8.545 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -3.774 9.384 -9.145 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -1.449 9.002 -8.500 1.00 0.00 C ATOM 1448 CZ TYR A 93 -2.498 9.885 -8.818 1.00 0.00 C ATOM 1449 OH TYR A 93 -2.266 11.217 -8.779 1.00 0.00 O ATOM 0 H TYR A 93 -4.639 5.243 -11.441 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.825 5.234 -10.639 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.157 5.399 -8.698 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.478 5.143 -8.265 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.978 7.609 -9.379 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.854 6.938 -8.323 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.578 10.064 -9.385 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.481 9.391 -8.222 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.109 11.700 -8.909 1.00 0.00 H new ATOM 1459 N THR A 94 -2.134 2.818 -9.838 1.00 0.00 N ATOM 1460 CA THR A 94 -2.278 1.410 -9.490 1.00 0.00 C ATOM 1461 C THR A 94 -1.826 1.252 -8.034 1.00 0.00 C ATOM 1462 O THR A 94 -0.871 1.924 -7.632 1.00 0.00 O ATOM 1463 CB THR A 94 -1.481 0.545 -10.485 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.689 0.985 -11.821 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.864 -0.941 -10.431 1.00 0.00 C ATOM 0 H THR A 94 -1.201 3.188 -9.656 1.00 0.00 H new ATOM 0 HA THR A 94 -3.310 1.068 -9.564 1.00 0.00 H new ATOM 0 HB THR A 94 -0.438 0.656 -10.190 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.217 1.832 -11.964 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.268 -1.497 -11.155 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.675 -1.329 -9.430 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.922 -1.053 -10.670 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.504 0.424 -7.235 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.178 0.073 -5.853 1.00 0.00 C ATOM 1475 C LEU A 95 -2.430 -1.425 -5.646 1.00 0.00 C ATOM 1476 O LEU A 95 -3.277 -2.010 -6.319 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.919 0.936 -4.805 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.457 1.106 -4.765 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.162 1.102 -6.118 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -5.079 -0.016 -3.929 1.00 0.00 C ATOM 0 H LEU A 95 -3.348 -0.048 -7.558 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.122 0.291 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.629 0.548 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.502 1.940 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.604 2.097 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.235 1.228 -5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.782 1.921 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.974 0.155 -6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.162 0.107 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.834 -0.980 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.685 0.025 -2.914 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.742 -2.048 -4.691 1.00 0.00 N ATOM 1493 CA ASN A 96 -2.042 -3.384 -4.153 1.00 0.00 C ATOM 1494 C ASN A 96 -1.815 -3.345 -2.646 1.00 0.00 C ATOM 1495 O ASN A 96 -1.196 -2.414 -2.145 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.176 -4.503 -4.772 1.00 0.00 C ATOM 1497 CG ASN A 96 0.312 -4.366 -4.462 1.00 0.00 C ATOM 1498 OD1 ASN A 96 1.024 -3.648 -5.153 1.00 0.00 O ATOM 1499 ND2 ASN A 96 0.811 -5.018 -3.418 1.00 0.00 N ATOM 0 H ASN A 96 -0.926 -1.623 -4.250 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.076 -3.621 -4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.528 -5.468 -4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.315 -4.503 -5.853 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.799 -4.924 -3.183 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.206 -5.613 -2.851 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.288 -4.353 -1.921 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.251 -4.452 -0.467 1.00 0.00 C ATOM 1508 C VAL A 97 -1.339 -5.650 -0.141 1.00 0.00 C ATOM 1509 O VAL A 97 -1.320 -6.624 -0.903 1.00 0.00 O ATOM 1510 CB VAL A 97 -3.711 -4.605 0.057 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -3.858 -4.305 1.553 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.722 -3.679 -0.650 1.00 0.00 C ATOM 0 H VAL A 97 -2.730 -5.164 -2.354 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.846 -3.568 0.025 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.928 -5.652 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.899 -4.431 1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.233 -4.991 2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.546 -3.279 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.716 -3.841 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.430 -2.640 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.735 -3.902 -1.717 1.00 0.00 H new ATOM 1522 N ARG A 98 -0.598 -5.618 0.973 1.00 0.00 N ATOM 1523 CA ARG A 98 0.139 -6.772 1.498 1.00 0.00 C ATOM 1524 C ARG A 98 0.030 -6.862 3.024 1.00 0.00 C ATOM 1525 O ARG A 98 0.437 -5.930 3.725 1.00 0.00 O ATOM 1526 CB ARG A 98 1.599 -6.663 1.025 1.00 0.00 C ATOM 1527 CG ARG A 98 2.415 -7.919 1.353 1.00 0.00 C ATOM 1528 CD ARG A 98 3.903 -7.769 1.018 1.00 0.00 C ATOM 1529 NE ARG A 98 4.155 -7.416 -0.390 1.00 0.00 N ATOM 1530 CZ ARG A 98 3.940 -8.184 -1.462 1.00 0.00 C ATOM 1531 NH1 ARG A 98 3.568 -9.456 -1.359 1.00 0.00 N ATOM 1532 NH2 ARG A 98 4.100 -7.651 -2.664 1.00 0.00 N ATOM 0 H ARG A 98 -0.492 -4.778 1.542 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.295 -7.696 1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.618 -6.492 -0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.066 -5.797 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.308 -8.149 2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.007 -8.765 0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.336 -7.002 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.415 -8.703 1.247 1.00 0.00 H new ATOM 0 HE ARG A 98 4.534 -6.485 -0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.438 -9.876 -0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.413 -10.012 -2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.381 -6.675 -2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.942 -8.217 -3.498 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.494 -7.978 3.538 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.529 -8.313 4.954 1.00 0.00 C ATOM 1548 C VAL A 99 0.908 -8.599 5.388 1.00 0.00 C ATOM 1549 O VAL A 99 1.648 -9.302 4.685 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.520 -9.488 5.255 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.658 -9.713 4.234 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.871 -10.868 5.394 1.00 0.00 C ATOM 0 H VAL A 99 -0.920 -8.696 2.953 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.920 -7.480 5.539 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.917 -9.120 6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.274 -10.553 4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.273 -8.815 4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.231 -9.929 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.640 -11.612 5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.359 -11.124 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.152 -10.851 6.213 1.00 0.00 H new ATOM 1562 N VAL A 100 1.288 -8.078 6.547 1.00 0.00 N ATOM 1563 CA VAL A 100 2.580 -8.295 7.172 1.00 0.00 C ATOM 1564 C VAL A 100 2.307 -8.509 8.648 1.00 0.00 C ATOM 1565 O VAL A 100 1.372 -7.940 9.222 1.00 0.00 O ATOM 1566 CB VAL A 100 3.516 -7.115 6.870 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.848 -7.165 7.629 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.800 -7.035 5.358 1.00 0.00 C ATOM 0 H VAL A 100 0.680 -7.470 7.096 1.00 0.00 H new ATOM 0 HA VAL A 100 3.099 -9.170 6.782 1.00 0.00 H new ATOM 0 HB VAL A 100 2.989 -6.225 7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.452 -6.298 7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.656 -7.156 8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.384 -8.076 7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 100 4.464 -6.195 5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.273 -7.959 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.863 -6.894 4.819 1.00 0.00 H new ATOM 1578 N ASN A 101 3.094 -9.392 9.240 1.00 0.00 N ATOM 1579 CA ASN A 101 2.985 -9.876 10.597 1.00 0.00 C ATOM 1580 C ASN A 101 4.382 -9.795 11.233 1.00 0.00 C ATOM 1581 O ASN A 101 5.280 -9.182 10.645 1.00 0.00 O ATOM 1582 CB ASN A 101 2.298 -11.256 10.558 1.00 0.00 C ATOM 1583 CG ASN A 101 3.227 -12.456 10.488 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.379 -12.381 10.093 1.00 0.00 O ATOM 1585 ND2 ASN A 101 2.733 -13.593 10.927 1.00 0.00 N ATOM 0 H ASN A 101 3.879 -9.816 8.746 1.00 0.00 H new ATOM 0 HA ASN A 101 2.348 -9.277 11.248 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.674 -11.355 11.446 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.632 -11.285 9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.315 -14.430 10.941 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.768 -13.637 11.254 1.00 0.00 H new ATOM 1592 N GLY A 102 4.559 -10.308 12.452 1.00 0.00 N ATOM 1593 CA GLY A 102 5.840 -10.191 13.144 1.00 0.00 C ATOM 1594 C GLY A 102 6.940 -10.995 12.454 1.00 0.00 C ATOM 1595 O GLY A 102 8.078 -10.534 12.370 1.00 0.00 O ATOM 0 H GLY A 102 3.837 -10.804 12.975 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.133 -9.142 13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.729 -10.536 14.172 1.00 0.00 H new ATOM 1599 N LYS A 103 6.615 -12.180 11.936 1.00 0.00 N ATOM 1600 CA LYS A 103 7.564 -12.997 11.194 1.00 0.00 C ATOM 1601 C LYS A 103 7.955 -12.343 9.864 1.00 0.00 C ATOM 1602 O LYS A 103 9.112 -12.481 9.461 1.00 0.00 O ATOM 1603 CB LYS A 103 6.981 -14.406 11.010 1.00 0.00 C ATOM 1604 CG LYS A 103 8.056 -15.416 10.591 1.00 0.00 C ATOM 1605 CD LYS A 103 9.174 -15.539 11.635 1.00 0.00 C ATOM 1606 CE LYS A 103 10.457 -14.891 11.107 1.00 0.00 C ATOM 1607 NZ LYS A 103 11.518 -14.861 12.127 1.00 0.00 N ATOM 0 H LYS A 103 5.688 -12.596 12.021 1.00 0.00 H new ATOM 0 HA LYS A 103 8.490 -13.081 11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.519 -14.733 11.941 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.194 -14.378 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.595 -16.392 10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.485 -15.112 9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.870 -15.058 12.564 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.355 -16.589 11.864 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.808 -15.441 10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.241 -13.875 10.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.369 -14.415 11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.193 -14.315 12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.743 -15.832 12.423 1.00 0.00 H new ATOM 1621 N GLY A 104 7.037 -11.658 9.176 1.00 0.00 N ATOM 1622 CA GLY A 104 7.292 -11.100 7.856 1.00 0.00 C ATOM 1623 C GLY A 104 6.012 -11.039 7.030 1.00 0.00 C ATOM 1624 O GLY A 104 4.949 -10.696 7.550 1.00 0.00 O ATOM 0 H GLY A 104 6.096 -11.477 9.524 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.712 -10.099 7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.034 -11.707 7.338 1.00 0.00 H new ATOM 1628 N GLU A 105 6.109 -11.289 5.725 1.00 0.00 N ATOM 1629 CA GLU A 105 5.068 -10.986 4.748 1.00 0.00 C ATOM 1630 C GLU A 105 4.580 -12.241 4.005 1.00 0.00 C ATOM 1631 O GLU A 105 5.116 -13.339 4.163 1.00 0.00 O ATOM 1632 CB GLU A 105 5.557 -9.868 3.802 1.00 0.00 C ATOM 1633 CG GLU A 105 6.615 -10.326 2.794 1.00 0.00 C ATOM 1634 CD GLU A 105 6.918 -9.324 1.673 1.00 0.00 C ATOM 1635 OE1 GLU A 105 6.733 -8.099 1.847 1.00 0.00 O ATOM 1636 OE2 GLU A 105 7.294 -9.795 0.571 1.00 0.00 O ATOM 0 H GLU A 105 6.935 -11.719 5.309 1.00 0.00 H new ATOM 0 HA GLU A 105 4.188 -10.616 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.702 -9.466 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.967 -9.054 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.539 -10.538 3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.286 -11.263 2.344 1.00 0.00 H new ATOM 1643 N GLY A 106 3.539 -12.075 3.185 1.00 0.00 N ATOM 1644 CA GLY A 106 2.995 -13.098 2.292 1.00 0.00 C ATOM 1645 C GLY A 106 2.603 -12.503 0.929 1.00 0.00 C ATOM 1646 O GLY A 106 3.057 -11.400 0.600 1.00 0.00 O ATOM 0 H GLY A 106 3.034 -11.191 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.733 -13.887 2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.122 -13.559 2.754 1.00 0.00 H new ATOM 1650 N PRO A 107 1.771 -13.205 0.134 1.00 0.00 N ATOM 1651 CA PRO A 107 1.378 -12.781 -1.212 1.00 0.00 C ATOM 1652 C PRO A 107 0.567 -11.503 -1.181 1.00 0.00 C ATOM 1653 O PRO A 107 -0.235 -11.294 -0.277 1.00 0.00 O ATOM 1654 CB PRO A 107 0.516 -13.913 -1.770 1.00 0.00 C ATOM 1655 CG PRO A 107 -0.046 -14.606 -0.530 1.00 0.00 C ATOM 1656 CD PRO A 107 1.039 -14.408 0.526 1.00 0.00 C ATOM 0 HA PRO A 107 2.260 -12.584 -1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.281 -13.529 -2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.106 -14.600 -2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.992 -14.162 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.235 -15.663 -0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.601 -14.292 1.518 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.703 -15.271 0.569 1.00 0.00 H new ATOM 1664 N ALA A 108 0.757 -10.673 -2.200 1.00 0.00 N ATOM 1665 CA ALA A 108 0.003 -9.457 -2.415 1.00 0.00 C ATOM 1666 C ALA A 108 -1.446 -9.780 -2.767 1.00 0.00 C ATOM 1667 O ALA A 108 -1.754 -10.864 -3.277 1.00 0.00 O ATOM 1668 CB ALA A 108 0.662 -8.718 -3.574 1.00 0.00 C ATOM 0 H ALA A 108 1.463 -10.838 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.001 -8.848 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.122 -7.792 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.696 -8.488 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.640 -9.345 -4.465 1.00 0.00 H new ATOM 1674 N SER A 109 -2.338 -8.815 -2.542 1.00 0.00 N ATOM 1675 CA SER A 109 -3.653 -8.818 -3.159 1.00 0.00 C ATOM 1676 C SER A 109 -3.519 -8.765 -4.693 1.00 0.00 C ATOM 1677 O SER A 109 -2.424 -8.511 -5.219 1.00 0.00 O ATOM 1678 CB SER A 109 -4.437 -7.624 -2.590 1.00 0.00 C ATOM 1679 OG SER A 109 -3.956 -6.378 -3.069 1.00 0.00 O ATOM 0 H SER A 109 -2.166 -8.017 -1.930 1.00 0.00 H new ATOM 0 HA SER A 109 -4.197 -9.735 -2.933 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.490 -7.728 -2.851 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.376 -7.639 -1.502 1.00 0.00 H new ATOM 0 HG SER A 109 -4.199 -6.274 -4.013 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.639 -8.865 -5.428 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.698 -8.296 -6.761 1.00 0.00 C ATOM 1687 C PRO A 110 -4.245 -6.838 -6.749 1.00 0.00 C ATOM 1688 O PRO A 110 -4.463 -6.111 -5.770 1.00 0.00 O ATOM 1689 CB PRO A 110 -6.156 -8.424 -7.210 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.935 -8.551 -5.906 1.00 0.00 C ATOM 1691 CD PRO A 110 -5.959 -9.344 -5.037 1.00 0.00 C ATOM 0 HA PRO A 110 -4.031 -8.816 -7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.475 -7.553 -7.782 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.302 -9.295 -7.848 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.171 -7.579 -5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.880 -9.076 -6.043 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.144 -9.172 -3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.058 -10.416 -5.208 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.643 -6.421 -7.859 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.440 -5.016 -8.170 1.00 0.00 C ATOM 1701 C ASP A 111 -4.832 -4.445 -8.469 1.00 0.00 C ATOM 1702 O ASP A 111 -5.666 -5.110 -9.097 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.529 -4.816 -9.404 1.00 0.00 C ATOM 1704 CG ASP A 111 -1.094 -5.380 -9.360 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -0.827 -6.461 -8.781 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -0.227 -4.772 -10.035 1.00 0.00 O ATOM 0 H ASP A 111 -3.281 -7.056 -8.571 1.00 0.00 H new ATOM 0 HA ASP A 111 -2.949 -4.517 -7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.033 -5.259 -10.263 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.458 -3.745 -9.593 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.080 -3.196 -8.091 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.270 -2.416 -8.418 1.00 0.00 C ATOM 1713 C ARG A 112 -5.831 -1.073 -8.955 1.00 0.00 C ATOM 1714 O ARG A 112 -4.658 -0.705 -8.885 1.00 0.00 O ATOM 1715 CB ARG A 112 -7.128 -2.193 -7.166 1.00 0.00 C ATOM 1716 CG ARG A 112 -7.900 -3.450 -6.787 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.214 -3.593 -7.551 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.852 -4.887 -7.282 1.00 0.00 N ATOM 1719 CZ ARG A 112 -9.563 -6.033 -7.909 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -8.503 -6.118 -8.708 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -10.334 -7.099 -7.749 1.00 0.00 N ATOM 0 H ARG A 112 -4.421 -2.671 -7.517 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.860 -2.956 -9.158 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.490 -1.892 -6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.827 -1.375 -7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.277 -4.324 -6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.107 -3.434 -5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.891 -2.786 -7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.028 -3.493 -8.620 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.572 -4.915 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -7.903 -5.305 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -8.291 -6.996 -9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.154 -7.049 -7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -10.107 -7.969 -8.230 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.792 -0.325 -9.463 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.601 0.970 -10.060 1.00 0.00 C ATOM 1737 C VAL A 113 -7.650 1.923 -9.510 1.00 0.00 C ATOM 1738 O VAL A 113 -8.696 1.526 -8.989 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.728 0.749 -11.573 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -7.126 1.946 -12.414 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -5.463 0.087 -12.119 1.00 0.00 C ATOM 0 H VAL A 113 -7.768 -0.623 -9.468 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.632 1.416 -9.836 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.587 0.085 -11.671 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -7.179 1.653 -13.462 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.100 2.311 -12.089 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.385 2.736 -12.296 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.566 -0.064 -13.194 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.603 0.728 -11.924 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.316 -0.876 -11.630 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.383 3.200 -9.719 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.336 4.293 -9.691 1.00 0.00 C ATOM 1753 C PHE A 114 -7.782 5.404 -10.601 1.00 0.00 C ATOM 1754 O PHE A 114 -6.565 5.543 -10.758 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.618 4.744 -8.240 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.437 5.249 -7.437 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.609 4.300 -6.825 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.231 6.620 -7.186 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.624 4.703 -5.919 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -6.202 7.028 -6.314 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.411 6.061 -5.668 1.00 0.00 C ATOM 0 H PHE A 114 -6.437 3.520 -9.925 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.310 3.989 -10.074 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.370 5.533 -8.270 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.059 3.904 -7.703 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.732 3.252 -7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.861 7.357 -7.661 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -5.025 3.962 -5.411 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.022 8.079 -6.142 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.639 6.368 -4.978 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.673 6.162 -11.241 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.386 7.505 -11.757 1.00 0.00 C ATOM 1773 C ASN A 115 -8.638 8.491 -10.628 1.00 0.00 C ATOM 1774 O ASN A 115 -9.211 8.119 -9.610 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.274 7.886 -12.954 1.00 0.00 C ATOM 1776 CG ASN A 115 -10.754 7.880 -12.607 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.290 8.827 -12.038 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.420 6.776 -12.901 1.00 0.00 N ATOM 0 H ASN A 115 -9.630 5.857 -11.419 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.353 7.526 -12.105 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -8.992 8.877 -13.311 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.093 7.189 -13.772 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.406 6.695 -12.655 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.947 6.006 -13.374 1.00 0.00 H new ATOM 1785 N THR A 116 -8.212 9.734 -10.799 1.00 0.00 N ATOM 1786 CA THR A 116 -8.688 10.833 -9.970 1.00 0.00 C ATOM 1787 C THR A 116 -9.420 11.850 -10.869 1.00 0.00 C ATOM 1788 O THR A 116 -9.253 11.793 -12.088 1.00 0.00 O ATOM 1789 CB THR A 116 -7.509 11.371 -9.148 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.392 11.639 -9.976 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.087 10.374 -8.070 1.00 0.00 C ATOM 0 H THR A 116 -7.533 10.008 -11.509 1.00 0.00 H new ATOM 0 HA THR A 116 -9.430 10.527 -9.233 1.00 0.00 H new ATOM 0 HB THR A 116 -7.846 12.295 -8.677 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.608 11.823 -9.418 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.250 10.783 -7.504 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.924 10.190 -7.397 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.785 9.437 -8.539 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.249 12.759 -10.315 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.335 13.381 -11.064 1.00 0.00 C ATOM 1801 C PRO A 117 -10.866 14.488 -12.022 1.00 0.00 C ATOM 1802 O PRO A 117 -10.682 14.215 -13.205 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.384 13.801 -10.024 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.630 13.887 -8.694 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.374 13.043 -8.895 1.00 0.00 C ATOM 0 HA PRO A 117 -11.788 12.680 -11.765 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.832 14.760 -10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.195 13.075 -9.969 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.377 14.919 -8.450 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.235 13.504 -7.872 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.494 13.576 -8.534 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -10.442 12.116 -8.325 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.674 15.724 -11.551 1.00 0.00 N ATOM 1814 CA GLU A 118 -10.231 16.851 -12.360 1.00 0.00 C ATOM 1815 C GLU A 118 -9.281 17.725 -11.546 1.00 0.00 C ATOM 1816 O GLU A 118 -8.153 17.968 -11.973 1.00 0.00 O ATOM 1817 CB GLU A 118 -11.397 17.658 -12.940 1.00 0.00 C ATOM 1818 CG GLU A 118 -10.801 18.786 -13.809 1.00 0.00 C ATOM 1819 CD GLU A 118 -10.727 20.166 -13.143 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -11.013 20.313 -11.931 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -10.373 21.146 -13.839 1.00 0.00 O ATOM 0 H GLU A 118 -10.827 15.969 -10.573 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.694 16.456 -13.222 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -12.046 17.017 -13.537 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.009 18.074 -12.140 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.795 18.494 -14.112 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.396 18.873 -14.718 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.708 18.154 -10.359 1.00 0.00 N ATOM 1829 CA GLY A 119 -8.914 18.995 -9.479 1.00 0.00 C ATOM 1830 C GLY A 119 -9.762 19.995 -8.716 1.00 0.00 C ATOM 1831 O GLY A 119 -10.947 19.764 -8.457 1.00 0.00 O ATOM 0 H GLY A 119 -10.627 17.922 -9.981 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.373 18.367 -8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.168 19.529 -10.067 1.00 0.00 H new ATOM 1835 N SER A 120 -9.093 21.059 -8.284 1.00 0.00 N ATOM 1836 CA SER A 120 -9.617 22.312 -7.764 1.00 0.00 C ATOM 1837 C SER A 120 -8.575 23.383 -8.124 1.00 0.00 C ATOM 1838 O SER A 120 -7.530 23.046 -8.692 1.00 0.00 O ATOM 1839 CB SER A 120 -9.816 22.241 -6.241 1.00 0.00 C ATOM 1840 OG SER A 120 -10.441 21.032 -5.844 1.00 0.00 O ATOM 0 H SER A 120 -8.073 21.063 -8.291 1.00 0.00 H new ATOM 0 HA SER A 120 -10.593 22.539 -8.192 1.00 0.00 H new ATOM 0 HB2 SER A 120 -8.850 22.330 -5.744 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.421 23.087 -5.914 1.00 0.00 H new ATOM 0 HG SER A 120 -10.549 21.024 -4.870 1.00 0.00 H new ATOM 1846 N GLY A 121 -8.809 24.654 -7.799 1.00 0.00 N ATOM 1847 CA GLY A 121 -7.797 25.691 -7.932 1.00 0.00 C ATOM 1848 C GLY A 121 -8.455 27.038 -8.203 1.00 0.00 C ATOM 1849 O GLY A 121 -9.043 27.589 -7.271 1.00 0.00 O ATOM 0 H GLY A 121 -9.702 24.989 -7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -7.201 25.746 -7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -7.115 25.441 -8.745 1.00 0.00 H new ATOM 1853 N PRO A 122 -8.360 27.603 -9.421 1.00 0.00 N ATOM 1854 CA PRO A 122 -8.839 28.949 -9.721 1.00 0.00 C ATOM 1855 C PRO A 122 -10.372 28.984 -9.742 1.00 0.00 C ATOM 1856 O PRO A 122 -10.994 28.788 -10.786 1.00 0.00 O ATOM 1857 CB PRO A 122 -8.198 29.313 -11.066 1.00 0.00 C ATOM 1858 CG PRO A 122 -8.037 27.959 -11.758 1.00 0.00 C ATOM 1859 CD PRO A 122 -7.736 27.010 -10.598 1.00 0.00 C ATOM 0 HA PRO A 122 -8.559 29.681 -8.963 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -8.831 29.987 -11.644 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.239 29.813 -10.932 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -8.942 27.669 -12.292 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -7.227 27.973 -12.488 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -8.138 26.016 -10.793 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.661 26.897 -10.455 1.00 0.00 H new ATOM 1867 N SER A 123 -10.983 29.204 -8.581 1.00 0.00 N ATOM 1868 CA SER A 123 -12.418 29.245 -8.363 1.00 0.00 C ATOM 1869 C SER A 123 -12.683 30.052 -7.083 1.00 0.00 C ATOM 1870 O SER A 123 -11.758 30.621 -6.490 1.00 0.00 O ATOM 1871 CB SER A 123 -12.934 27.801 -8.270 1.00 0.00 C ATOM 1872 OG SER A 123 -14.341 27.769 -8.357 1.00 0.00 O ATOM 0 H SER A 123 -10.457 29.367 -7.722 1.00 0.00 H new ATOM 0 HA SER A 123 -12.947 29.733 -9.182 1.00 0.00 H new ATOM 0 HB2 SER A 123 -12.501 27.202 -9.072 1.00 0.00 H new ATOM 0 HB3 SER A 123 -12.612 27.354 -7.329 1.00 0.00 H new ATOM 0 HG SER A 123 -14.651 26.841 -8.298 1.00 0.00 H new ATOM 1878 N SER A 124 -13.938 30.126 -6.650 1.00 0.00 N ATOM 1879 CA SER A 124 -14.366 30.530 -5.315 1.00 0.00 C ATOM 1880 C SER A 124 -15.665 29.795 -4.976 1.00 0.00 C ATOM 1881 O SER A 124 -16.217 29.083 -5.826 1.00 0.00 O ATOM 1882 CB SER A 124 -14.528 32.055 -5.245 1.00 0.00 C ATOM 1883 OG SER A 124 -13.234 32.635 -5.184 1.00 0.00 O ATOM 0 H SER A 124 -14.726 29.893 -7.254 1.00 0.00 H new ATOM 0 HA SER A 124 -13.612 30.260 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 124 -15.068 32.421 -6.118 1.00 0.00 H new ATOM 0 HB3 SER A 124 -15.112 32.336 -4.369 1.00 0.00 H new ATOM 0 HG SER A 124 -12.567 31.979 -5.477 1.00 0.00 H new ATOM 1889 N GLY A 125 -16.105 29.901 -3.723 1.00 0.00 N ATOM 1890 CA GLY A 125 -17.467 29.561 -3.346 1.00 0.00 C ATOM 1891 C GLY A 125 -18.404 30.547 -4.014 1.00 0.00 C ATOM 1892 O GLY A 125 -19.515 30.101 -4.379 1.00 0.00 O ATOM 0 H GLY A 125 -15.527 30.224 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -17.704 28.543 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -17.583 29.601 -2.263 1.00 0.00 H new TER 1896 GLY A 125