USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 755 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 2 HIS : no HE2:sc= -0.166 X(o=-0.17,f=-0.45) USER MOD Set 1.2: A 32 ASN : amide:sc= 0 X(o=-0.17,f=-0.45) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 5 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=-0.26) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 82:sc= 0.00463 USER MOD Single : A -1 SER OG : rot 50:sc= 0.177 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.051) USER MOD Single : A 16 MET CE :methyl -165:sc= -0.659 (180deg=-1.38) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -137:sc= -0.372 (180deg=-1.53!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.325 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 CYS SG : rot -160:sc= -0.458 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.105 K(o=-0.1,f=-0.69) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -122:sc= -0.0115 (180deg=-1.11) USER MOD Single : A 53 TYR OH : rot -44:sc= 0.335 USER MOD Single : A 55 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-0.15) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.42) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.12) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 27.630 -13.217 -27.069 1.00 0.00 N ATOM 2 CA MET A -4 28.549 -12.548 -26.154 1.00 0.00 C ATOM 3 C MET A -4 28.041 -11.155 -25.796 1.00 0.00 C ATOM 4 O MET A -4 28.143 -10.223 -26.592 1.00 0.00 O ATOM 5 CB MET A -4 29.942 -12.450 -26.778 1.00 0.00 C ATOM 6 CG MET A -4 30.935 -11.674 -25.929 1.00 0.00 C ATOM 7 SD MET A -4 32.644 -12.160 -26.240 1.00 0.00 S ATOM 8 CE MET A -4 33.304 -10.647 -26.936 1.00 0.00 C ATOM 0 H1 MET A -4 27.996 -14.163 -27.299 1.00 0.00 H new ATOM 0 H2 MET A -4 26.696 -13.307 -26.619 1.00 0.00 H new ATOM 0 H3 MET A -4 27.542 -12.659 -27.942 1.00 0.00 H new ATOM 0 HA MET A -4 28.608 -13.140 -25.241 1.00 0.00 H new ATOM 0 HB2 MET A -4 30.328 -13.456 -26.945 1.00 0.00 H new ATOM 0 HB3 MET A -4 29.861 -11.973 -27.755 1.00 0.00 H new ATOM 0 HG2 MET A -4 30.822 -10.608 -26.128 1.00 0.00 H new ATOM 0 HG3 MET A -4 30.704 -11.827 -24.875 1.00 0.00 H new ATOM 0 HE1 MET A -4 34.357 -10.788 -27.181 1.00 0.00 H new ATOM 0 HE2 MET A -4 32.752 -10.391 -27.840 1.00 0.00 H new ATOM 0 HE3 MET A -4 33.206 -9.840 -26.210 1.00 0.00 H new ATOM 18 N GLY A -3 27.492 -11.022 -24.592 1.00 0.00 N ATOM 19 CA GLY A -3 26.976 -9.740 -24.150 1.00 0.00 C ATOM 20 C GLY A -3 27.393 -9.405 -22.731 1.00 0.00 C ATOM 21 O GLY A -3 28.581 -9.264 -22.443 1.00 0.00 O ATOM 0 H GLY A -3 27.396 -11.779 -23.915 1.00 0.00 H new ATOM 0 HA2 GLY A -3 27.328 -8.958 -24.823 1.00 0.00 H new ATOM 0 HA3 GLY A -3 25.888 -9.748 -24.213 1.00 0.00 H new ATOM 25 N SER A -2 26.413 -9.275 -21.843 1.00 0.00 N ATOM 26 CA SER A -2 26.683 -8.949 -20.448 1.00 0.00 C ATOM 27 C SER A -2 25.423 -9.097 -19.601 1.00 0.00 C ATOM 28 O SER A -2 24.315 -9.189 -20.128 1.00 0.00 O ATOM 29 CB SER A -2 27.226 -7.523 -20.331 1.00 0.00 C ATOM 30 OG SER A -2 28.007 -7.369 -19.159 1.00 0.00 O ATOM 0 H SER A -2 25.424 -9.391 -22.065 1.00 0.00 H new ATOM 0 HA SER A -2 27.433 -9.647 -20.076 1.00 0.00 H new ATOM 0 HB2 SER A -2 27.830 -7.287 -21.207 1.00 0.00 H new ATOM 0 HB3 SER A -2 26.397 -6.815 -20.315 1.00 0.00 H new ATOM 0 HG SER A -2 28.344 -6.450 -19.109 1.00 0.00 H new ATOM 36 N SER A -1 25.602 -9.118 -18.284 1.00 0.00 N ATOM 37 CA SER A -1 24.480 -9.258 -17.362 1.00 0.00 C ATOM 38 C SER A -1 24.142 -7.921 -16.711 1.00 0.00 C ATOM 39 O SER A -1 24.666 -7.584 -15.649 1.00 0.00 O ATOM 40 CB SER A -1 24.804 -10.295 -16.285 1.00 0.00 C ATOM 41 OG SER A -1 26.092 -10.074 -15.736 1.00 0.00 O ATOM 0 H SER A -1 26.513 -9.040 -17.831 1.00 0.00 H new ATOM 0 HA SER A -1 23.614 -9.594 -17.931 1.00 0.00 H new ATOM 0 HB2 SER A -1 24.055 -10.249 -15.494 1.00 0.00 H new ATOM 0 HB3 SER A -1 24.754 -11.296 -16.713 1.00 0.00 H new ATOM 0 HG SER A -1 26.182 -9.132 -15.482 1.00 0.00 H new ATOM 47 N HIS A 0 23.261 -7.162 -17.356 1.00 0.00 N ATOM 48 CA HIS A 0 22.851 -5.860 -16.840 1.00 0.00 C ATOM 49 C HIS A 0 21.413 -5.906 -16.332 1.00 0.00 C ATOM 50 O HIS A 0 20.502 -5.378 -16.969 1.00 0.00 O ATOM 51 CB HIS A 0 22.987 -4.792 -17.926 1.00 0.00 C ATOM 52 CG HIS A 0 22.992 -3.393 -17.391 1.00 0.00 C ATOM 53 ND1 HIS A 0 22.060 -2.445 -17.757 1.00 0.00 N ATOM 54 CD2 HIS A 0 23.822 -2.784 -16.513 1.00 0.00 C ATOM 55 CE1 HIS A 0 22.317 -1.312 -17.127 1.00 0.00 C ATOM 56 NE2 HIS A 0 23.382 -1.491 -16.366 1.00 0.00 N ATOM 0 H HIS A 0 22.818 -7.426 -18.236 1.00 0.00 H new ATOM 0 HA HIS A 0 23.504 -5.604 -16.006 1.00 0.00 H new ATOM 0 HB2 HIS A 0 23.910 -4.964 -18.480 1.00 0.00 H new ATOM 0 HB3 HIS A 0 22.165 -4.899 -18.634 1.00 0.00 H new ATOM 0 HD2 HIS A 0 24.672 -3.231 -16.020 1.00 0.00 H new ATOM 0 HE1 HIS A 0 21.753 -0.396 -17.219 1.00 0.00 H new ATOM 0 HE2 HIS A 0 23.808 -0.784 -15.767 1.00 0.00 H new ATOM 64 N HIS A 1 21.217 -6.542 -15.181 1.00 0.00 N ATOM 65 CA HIS A 1 19.890 -6.657 -14.587 1.00 0.00 C ATOM 66 C HIS A 1 18.928 -7.360 -15.540 1.00 0.00 C ATOM 67 O HIS A 1 17.914 -6.792 -15.946 1.00 0.00 O ATOM 68 CB HIS A 1 19.348 -5.273 -14.227 1.00 0.00 C ATOM 69 CG HIS A 1 19.870 -4.746 -12.926 1.00 0.00 C ATOM 70 ND1 HIS A 1 20.790 -3.722 -12.843 1.00 0.00 N ATOM 71 CD2 HIS A 1 19.594 -5.105 -11.650 1.00 0.00 C ATOM 72 CE1 HIS A 1 21.059 -3.476 -11.573 1.00 0.00 C ATOM 73 NE2 HIS A 1 20.345 -4.302 -10.829 1.00 0.00 N ATOM 0 H HIS A 1 21.960 -6.985 -14.641 1.00 0.00 H new ATOM 0 HA HIS A 1 19.976 -7.253 -13.679 1.00 0.00 H new ATOM 0 HB2 HIS A 1 19.604 -4.573 -15.022 1.00 0.00 H new ATOM 0 HB3 HIS A 1 18.260 -5.318 -14.181 1.00 0.00 H new ATOM 0 HD2 HIS A 1 18.910 -5.880 -11.337 1.00 0.00 H new ATOM 0 HE1 HIS A 1 21.745 -2.727 -11.206 1.00 0.00 H new ATOM 0 HE2 HIS A 1 20.351 -4.337 -9.810 1.00 0.00 H new ATOM 81 N HIS A 2 19.253 -8.600 -15.893 1.00 0.00 N ATOM 82 CA HIS A 2 18.418 -9.381 -16.798 1.00 0.00 C ATOM 83 C HIS A 2 18.095 -10.746 -16.197 1.00 0.00 C ATOM 84 O HIS A 2 18.987 -11.458 -15.734 1.00 0.00 O ATOM 85 CB HIS A 2 19.116 -9.557 -18.147 1.00 0.00 C ATOM 86 CG HIS A 2 18.960 -8.380 -19.060 1.00 0.00 C ATOM 87 ND1 HIS A 2 19.784 -8.151 -20.141 1.00 0.00 N ATOM 88 CD2 HIS A 2 18.065 -7.364 -19.049 1.00 0.00 C ATOM 89 CE1 HIS A 2 19.405 -7.045 -20.755 1.00 0.00 C ATOM 90 NE2 HIS A 2 18.364 -6.548 -20.113 1.00 0.00 N ATOM 0 H HIS A 2 20.089 -9.085 -15.566 1.00 0.00 H new ATOM 0 HA HIS A 2 17.484 -8.840 -16.949 1.00 0.00 H new ATOM 0 HB2 HIS A 2 20.178 -9.736 -17.977 1.00 0.00 H new ATOM 0 HB3 HIS A 2 18.718 -10.444 -18.640 1.00 0.00 H new ATOM 0 HD1 HIS A 2 20.565 -8.744 -20.423 1.00 0.00 H new ATOM 0 HD2 HIS A 2 17.266 -7.222 -18.337 1.00 0.00 H new ATOM 0 HE1 HIS A 2 19.868 -6.619 -21.633 1.00 0.00 H new ATOM 98 N HIS A 3 16.815 -11.105 -16.208 1.00 0.00 N ATOM 99 CA HIS A 3 16.375 -12.384 -15.664 1.00 0.00 C ATOM 100 C HIS A 3 15.831 -13.286 -16.768 1.00 0.00 C ATOM 101 O HIS A 3 16.294 -14.412 -16.950 1.00 0.00 O ATOM 102 CB HIS A 3 15.306 -12.167 -14.594 1.00 0.00 C ATOM 103 CG HIS A 3 15.788 -11.375 -13.417 1.00 0.00 C ATOM 104 ND1 HIS A 3 16.964 -11.654 -12.754 1.00 0.00 N ATOM 105 CD2 HIS A 3 15.247 -10.307 -12.787 1.00 0.00 C ATOM 106 CE1 HIS A 3 17.125 -10.793 -11.765 1.00 0.00 C ATOM 107 NE2 HIS A 3 16.096 -9.964 -11.764 1.00 0.00 N ATOM 0 H HIS A 3 16.065 -10.528 -16.588 1.00 0.00 H new ATOM 0 HA HIS A 3 17.237 -12.873 -15.211 1.00 0.00 H new ATOM 0 HB2 HIS A 3 14.454 -11.655 -15.042 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.949 -13.137 -14.247 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.320 -9.816 -13.041 1.00 0.00 H new ATOM 0 HE1 HIS A 3 17.956 -10.771 -11.075 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.955 -9.194 -11.110 1.00 0.00 H new ATOM 115 N HIS A 4 14.844 -12.783 -17.503 1.00 0.00 N ATOM 116 CA HIS A 4 14.236 -13.543 -18.590 1.00 0.00 C ATOM 117 C HIS A 4 13.725 -14.891 -18.090 1.00 0.00 C ATOM 118 O HIS A 4 13.689 -15.869 -18.838 1.00 0.00 O ATOM 119 CB HIS A 4 15.244 -13.754 -19.720 1.00 0.00 C ATOM 120 CG HIS A 4 15.375 -12.574 -20.633 1.00 0.00 C ATOM 121 ND1 HIS A 4 15.526 -11.281 -20.175 1.00 0.00 N ATOM 122 CD2 HIS A 4 15.380 -12.496 -21.984 1.00 0.00 C ATOM 123 CE1 HIS A 4 15.616 -10.460 -21.206 1.00 0.00 C ATOM 124 NE2 HIS A 4 15.530 -11.172 -22.315 1.00 0.00 N ATOM 0 H HIS A 4 14.448 -11.853 -17.366 1.00 0.00 H new ATOM 0 HA HIS A 4 13.390 -12.971 -18.971 1.00 0.00 H new ATOM 0 HB2 HIS A 4 16.219 -13.979 -19.289 1.00 0.00 H new ATOM 0 HB3 HIS A 4 14.945 -14.624 -20.305 1.00 0.00 H new ATOM 0 HD2 HIS A 4 15.284 -13.322 -22.674 1.00 0.00 H new ATOM 0 HE1 HIS A 4 15.739 -9.388 -21.151 1.00 0.00 H new ATOM 0 HE2 HIS A 4 15.569 -10.799 -23.263 1.00 0.00 H new ATOM 132 N HIS A 5 13.331 -14.936 -16.821 1.00 0.00 N ATOM 133 CA HIS A 5 12.822 -16.165 -16.221 1.00 0.00 C ATOM 134 C HIS A 5 11.641 -16.710 -17.019 1.00 0.00 C ATOM 135 O HIS A 5 11.406 -17.917 -17.050 1.00 0.00 O ATOM 136 CB HIS A 5 12.403 -15.914 -14.773 1.00 0.00 C ATOM 137 CG HIS A 5 11.333 -14.876 -14.630 1.00 0.00 C ATOM 138 ND1 HIS A 5 9.987 -15.170 -14.684 1.00 0.00 N ATOM 139 CD2 HIS A 5 11.417 -13.540 -14.432 1.00 0.00 C ATOM 140 CE1 HIS A 5 9.289 -14.059 -14.527 1.00 0.00 C ATOM 141 NE2 HIS A 5 10.133 -13.055 -14.372 1.00 0.00 N ATOM 0 H HIS A 5 13.354 -14.136 -16.188 1.00 0.00 H new ATOM 0 HA HIS A 5 13.621 -16.907 -16.236 1.00 0.00 H new ATOM 0 HB2 HIS A 5 12.051 -16.849 -14.338 1.00 0.00 H new ATOM 0 HB3 HIS A 5 13.277 -15.605 -14.199 1.00 0.00 H new ATOM 0 HD2 HIS A 5 12.325 -12.962 -14.339 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.212 -13.985 -14.526 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.874 -12.079 -14.231 1.00 0.00 H new ATOM 149 N SER A 6 10.902 -15.811 -17.661 1.00 0.00 N ATOM 150 CA SER A 6 9.742 -16.201 -18.454 1.00 0.00 C ATOM 151 C SER A 6 10.169 -16.695 -19.833 1.00 0.00 C ATOM 152 O SER A 6 10.392 -15.901 -20.747 1.00 0.00 O ATOM 153 CB SER A 6 8.776 -15.024 -18.597 1.00 0.00 C ATOM 154 OG SER A 6 7.467 -15.473 -18.906 1.00 0.00 O ATOM 0 H SER A 6 11.086 -14.808 -17.648 1.00 0.00 H new ATOM 0 HA SER A 6 9.235 -17.015 -17.936 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.758 -14.450 -17.671 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.128 -14.353 -19.381 1.00 0.00 H new ATOM 0 HG SER A 6 6.868 -14.702 -18.991 1.00 0.00 H new ATOM 160 N SER A 7 10.280 -18.011 -19.975 1.00 0.00 N ATOM 161 CA SER A 7 10.684 -18.612 -21.241 1.00 0.00 C ATOM 162 C SER A 7 9.822 -19.829 -21.565 1.00 0.00 C ATOM 163 O SER A 7 9.271 -20.469 -20.670 1.00 0.00 O ATOM 164 CB SER A 7 12.159 -19.017 -21.191 1.00 0.00 C ATOM 165 OG SER A 7 13.002 -17.893 -21.376 1.00 0.00 O ATOM 0 H SER A 7 10.096 -18.682 -19.229 1.00 0.00 H new ATOM 0 HA SER A 7 10.545 -17.870 -22.027 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.378 -19.486 -20.232 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.362 -19.759 -21.963 1.00 0.00 H new ATOM 0 HG SER A 7 13.107 -17.419 -20.525 1.00 0.00 H new ATOM 171 N GLY A 8 9.710 -20.142 -22.852 1.00 0.00 N ATOM 172 CA GLY A 8 8.914 -21.280 -23.272 1.00 0.00 C ATOM 173 C GLY A 8 8.289 -21.077 -24.638 1.00 0.00 C ATOM 174 O GLY A 8 8.864 -20.412 -25.500 1.00 0.00 O ATOM 0 H GLY A 8 10.156 -19.628 -23.611 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.541 -22.171 -23.292 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.128 -21.460 -22.539 1.00 0.00 H new ATOM 178 N LEU A 9 7.109 -21.654 -24.838 1.00 0.00 N ATOM 179 CA LEU A 9 6.404 -21.535 -26.110 1.00 0.00 C ATOM 180 C LEU A 9 5.312 -20.473 -26.030 1.00 0.00 C ATOM 181 O LEU A 9 5.316 -19.505 -26.791 1.00 0.00 O ATOM 182 CB LEU A 9 5.795 -22.881 -26.506 1.00 0.00 C ATOM 183 CG LEU A 9 6.700 -23.817 -27.307 1.00 0.00 C ATOM 184 CD1 LEU A 9 7.920 -24.210 -26.489 1.00 0.00 C ATOM 185 CD2 LEU A 9 5.930 -25.054 -27.748 1.00 0.00 C ATOM 0 H LEU A 9 6.620 -22.209 -24.136 1.00 0.00 H new ATOM 0 HA LEU A 9 7.124 -21.232 -26.870 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.484 -23.398 -25.598 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.894 -22.692 -27.090 1.00 0.00 H new ATOM 0 HG LEU A 9 7.041 -23.288 -28.197 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.552 -24.876 -27.076 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.484 -23.316 -26.223 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.600 -24.720 -25.580 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.589 -25.709 -28.317 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.560 -25.584 -26.871 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.088 -24.755 -28.373 1.00 0.00 H new ATOM 197 N VAL A 10 4.379 -20.660 -25.102 1.00 0.00 N ATOM 198 CA VAL A 10 3.282 -19.716 -24.921 1.00 0.00 C ATOM 199 C VAL A 10 3.371 -19.024 -23.565 1.00 0.00 C ATOM 200 O VAL A 10 3.580 -19.657 -22.530 1.00 0.00 O ATOM 201 CB VAL A 10 1.915 -20.416 -25.038 1.00 0.00 C ATOM 202 CG1 VAL A 10 1.800 -21.539 -24.019 1.00 0.00 C ATOM 203 CG2 VAL A 10 0.786 -19.411 -24.865 1.00 0.00 C ATOM 0 H VAL A 10 4.361 -21.456 -24.464 1.00 0.00 H new ATOM 0 HA VAL A 10 3.370 -18.972 -25.713 1.00 0.00 H new ATOM 0 HB VAL A 10 1.834 -20.852 -26.034 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.827 -22.021 -24.117 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.588 -22.272 -24.194 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.902 -21.130 -23.014 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.173 -19.922 -24.951 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.862 -18.944 -23.883 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.859 -18.645 -25.637 1.00 0.00 H new ATOM 213 N PRO A 11 3.210 -17.693 -23.569 1.00 0.00 N ATOM 214 CA PRO A 11 3.267 -16.885 -22.347 1.00 0.00 C ATOM 215 C PRO A 11 2.068 -17.126 -21.436 1.00 0.00 C ATOM 216 O PRO A 11 0.939 -17.267 -21.905 1.00 0.00 O ATOM 217 CB PRO A 11 3.259 -15.447 -22.872 1.00 0.00 C ATOM 218 CG PRO A 11 2.587 -15.531 -24.199 1.00 0.00 C ATOM 219 CD PRO A 11 2.959 -16.873 -24.766 1.00 0.00 C ATOM 0 HA PRO A 11 4.139 -17.127 -21.739 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.720 -14.782 -22.197 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.271 -15.054 -22.965 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.506 -15.437 -24.096 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.916 -14.725 -24.855 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.156 -17.288 -25.376 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.842 -16.810 -25.402 1.00 0.00 H new ATOM 227 N ARG A 12 2.321 -17.171 -20.132 1.00 0.00 N ATOM 228 CA ARG A 12 1.262 -17.396 -19.156 1.00 0.00 C ATOM 229 C ARG A 12 1.114 -16.193 -18.228 1.00 0.00 C ATOM 230 O ARG A 12 1.908 -15.256 -18.279 1.00 0.00 O ATOM 231 CB ARG A 12 1.554 -18.654 -18.335 1.00 0.00 C ATOM 232 CG ARG A 12 1.656 -19.918 -19.173 1.00 0.00 C ATOM 233 CD ARG A 12 1.702 -21.162 -18.301 1.00 0.00 C ATOM 234 NE ARG A 12 0.425 -21.414 -17.638 1.00 0.00 N ATOM 235 CZ ARG A 12 0.092 -22.584 -17.106 1.00 0.00 C ATOM 236 NH1 ARG A 12 0.937 -23.605 -17.158 1.00 0.00 N ATOM 237 NH2 ARG A 12 -1.089 -22.735 -16.519 1.00 0.00 N ATOM 0 H ARG A 12 3.250 -17.055 -19.727 1.00 0.00 H new ATOM 0 HA ARG A 12 0.326 -17.533 -19.698 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.487 -18.513 -17.790 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.767 -18.783 -17.592 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.803 -19.978 -19.849 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.551 -19.874 -19.793 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.969 -22.024 -18.913 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.484 -21.050 -17.550 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.248 -20.649 -17.581 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.846 -23.493 -17.608 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.678 -24.503 -16.748 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.741 -21.952 -16.476 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.344 -23.634 -16.111 1.00 0.00 H new ATOM 251 N GLY A 13 0.089 -16.228 -17.382 1.00 0.00 N ATOM 252 CA GLY A 13 -0.145 -15.136 -16.455 1.00 0.00 C ATOM 253 C GLY A 13 -0.330 -13.807 -17.161 1.00 0.00 C ATOM 254 O GLY A 13 0.478 -12.893 -16.999 1.00 0.00 O ATOM 0 H GLY A 13 -0.583 -16.993 -17.322 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.031 -15.353 -15.858 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.695 -15.063 -15.764 1.00 0.00 H new ATOM 258 N SER A 14 -1.396 -13.700 -17.948 1.00 0.00 N ATOM 259 CA SER A 14 -1.681 -12.475 -18.685 1.00 0.00 C ATOM 260 C SER A 14 -2.862 -11.732 -18.069 1.00 0.00 C ATOM 261 O SER A 14 -3.813 -12.346 -17.585 1.00 0.00 O ATOM 262 CB SER A 14 -1.975 -12.794 -20.152 1.00 0.00 C ATOM 263 OG SER A 14 -2.851 -13.902 -20.267 1.00 0.00 O ATOM 0 H SER A 14 -2.076 -14.447 -18.091 1.00 0.00 H new ATOM 0 HA SER A 14 -0.801 -11.834 -18.629 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.419 -11.924 -20.635 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.043 -13.008 -20.675 1.00 0.00 H new ATOM 0 HG SER A 14 -3.025 -14.085 -21.214 1.00 0.00 H new ATOM 269 N HIS A 15 -2.794 -10.404 -18.090 1.00 0.00 N ATOM 270 CA HIS A 15 -3.858 -9.575 -17.533 1.00 0.00 C ATOM 271 C HIS A 15 -4.940 -9.308 -18.575 1.00 0.00 C ATOM 272 O HIS A 15 -6.115 -9.598 -18.351 1.00 0.00 O ATOM 273 CB HIS A 15 -3.288 -8.252 -17.022 1.00 0.00 C ATOM 274 CG HIS A 15 -2.743 -8.332 -15.629 1.00 0.00 C ATOM 275 ND1 HIS A 15 -1.989 -7.330 -15.057 1.00 0.00 N ATOM 276 CD2 HIS A 15 -2.849 -9.303 -14.692 1.00 0.00 C ATOM 277 CE1 HIS A 15 -1.652 -7.681 -13.829 1.00 0.00 C ATOM 278 NE2 HIS A 15 -2.162 -8.875 -13.583 1.00 0.00 N ATOM 0 H HIS A 15 -2.014 -9.879 -18.486 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.307 -10.115 -16.699 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.496 -7.923 -17.695 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.069 -7.493 -17.054 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.376 -10.240 -14.797 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.061 -7.093 -13.143 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.062 -9.394 -12.711 1.00 0.00 H new ATOM 286 N MET A 16 -4.535 -8.754 -19.713 1.00 0.00 N ATOM 287 CA MET A 16 -5.470 -8.448 -20.789 1.00 0.00 C ATOM 288 C MET A 16 -5.270 -9.395 -21.968 1.00 0.00 C ATOM 289 O MET A 16 -4.391 -10.255 -21.943 1.00 0.00 O ATOM 290 CB MET A 16 -5.297 -6.999 -21.248 1.00 0.00 C ATOM 291 CG MET A 16 -6.020 -5.992 -20.368 1.00 0.00 C ATOM 292 SD MET A 16 -6.251 -4.399 -21.181 1.00 0.00 S ATOM 293 CE MET A 16 -8.010 -4.441 -21.514 1.00 0.00 C ATOM 0 H MET A 16 -3.566 -8.508 -19.914 1.00 0.00 H new ATOM 0 HA MET A 16 -6.482 -8.581 -20.406 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.234 -6.757 -21.266 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.663 -6.904 -22.270 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.992 -6.395 -20.084 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.454 -5.847 -19.448 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.262 -3.666 -22.238 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.281 -5.416 -21.918 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.560 -4.266 -20.589 1.00 0.00 H new ATOM 303 N SER A 17 -6.092 -9.230 -23.000 1.00 0.00 N ATOM 304 CA SER A 17 -6.008 -10.073 -24.187 1.00 0.00 C ATOM 305 C SER A 17 -6.217 -9.249 -25.454 1.00 0.00 C ATOM 306 O SER A 17 -6.279 -8.020 -25.407 1.00 0.00 O ATOM 307 CB SER A 17 -7.046 -11.194 -24.117 1.00 0.00 C ATOM 308 OG SER A 17 -6.952 -11.900 -22.891 1.00 0.00 O ATOM 0 H SER A 17 -6.824 -8.520 -23.038 1.00 0.00 H new ATOM 0 HA SER A 17 -5.011 -10.513 -24.220 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.047 -10.775 -24.223 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.899 -11.883 -24.949 1.00 0.00 H new ATOM 0 HG SER A 17 -7.627 -12.610 -22.870 1.00 0.00 H new ATOM 314 N VAL A 18 -6.326 -9.935 -26.587 1.00 0.00 N ATOM 315 CA VAL A 18 -6.530 -9.269 -27.868 1.00 0.00 C ATOM 316 C VAL A 18 -7.904 -8.611 -27.933 1.00 0.00 C ATOM 317 O VAL A 18 -8.178 -7.809 -28.825 1.00 0.00 O ATOM 318 CB VAL A 18 -6.389 -10.256 -29.042 1.00 0.00 C ATOM 319 CG1 VAL A 18 -7.488 -11.306 -28.992 1.00 0.00 C ATOM 320 CG2 VAL A 18 -6.412 -9.511 -30.369 1.00 0.00 C ATOM 0 H VAL A 18 -6.276 -10.952 -26.644 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.760 -8.503 -27.953 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.429 -10.765 -28.953 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.372 -11.994 -29.829 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.420 -11.859 -28.055 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.461 -10.818 -29.056 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.311 -10.223 -31.188 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.356 -8.974 -30.469 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.586 -8.801 -30.402 1.00 0.00 H new ATOM 330 N ASP A 19 -8.764 -8.956 -26.981 1.00 0.00 N ATOM 331 CA ASP A 19 -10.110 -8.398 -26.929 1.00 0.00 C ATOM 332 C ASP A 19 -10.064 -6.876 -26.835 1.00 0.00 C ATOM 333 O ASP A 19 -11.008 -6.191 -27.229 1.00 0.00 O ATOM 334 CB ASP A 19 -10.877 -8.972 -25.736 1.00 0.00 C ATOM 335 CG ASP A 19 -12.379 -8.844 -25.898 1.00 0.00 C ATOM 336 OD1 ASP A 19 -12.928 -9.453 -26.840 1.00 0.00 O ATOM 337 OD2 ASP A 19 -13.006 -8.134 -25.084 1.00 0.00 O ATOM 0 H ASP A 19 -8.553 -9.619 -26.235 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.626 -8.672 -27.849 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.616 -10.023 -25.612 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.567 -8.457 -24.827 1.00 0.00 H new ATOM 342 N ASP A 20 -8.961 -6.354 -26.310 1.00 0.00 N ATOM 343 CA ASP A 20 -8.792 -4.913 -26.164 1.00 0.00 C ATOM 344 C ASP A 20 -7.936 -4.349 -27.294 1.00 0.00 C ATOM 345 O ASP A 20 -7.438 -3.227 -27.207 1.00 0.00 O ATOM 346 CB ASP A 20 -8.153 -4.587 -24.813 1.00 0.00 C ATOM 347 CG ASP A 20 -6.640 -4.549 -24.882 1.00 0.00 C ATOM 348 OD1 ASP A 20 -6.052 -5.437 -25.535 1.00 0.00 O ATOM 349 OD2 ASP A 20 -6.042 -3.630 -24.284 1.00 0.00 O ATOM 0 H ASP A 20 -8.171 -6.907 -25.978 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.778 -4.450 -26.212 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.522 -3.623 -24.463 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.462 -5.332 -24.079 1.00 0.00 H new ATOM 354 N ILE A 21 -7.769 -5.136 -28.352 1.00 0.00 N ATOM 355 CA ILE A 21 -6.974 -4.715 -29.498 1.00 0.00 C ATOM 356 C ILE A 21 -7.824 -4.650 -30.763 1.00 0.00 C ATOM 357 O ILE A 21 -8.708 -5.482 -30.972 1.00 0.00 O ATOM 358 CB ILE A 21 -5.787 -5.666 -29.740 1.00 0.00 C ATOM 359 CG1 ILE A 21 -4.890 -5.721 -28.501 1.00 0.00 C ATOM 360 CG2 ILE A 21 -4.991 -5.221 -30.957 1.00 0.00 C ATOM 361 CD1 ILE A 21 -3.693 -6.632 -28.662 1.00 0.00 C ATOM 0 H ILE A 21 -8.174 -6.068 -28.439 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.592 -3.721 -29.268 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.175 -6.667 -29.930 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.542 -4.714 -28.269 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.481 -6.058 -27.649 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.156 -5.903 -31.115 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.636 -5.228 -31.836 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.610 -4.213 -30.794 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.102 -6.622 -27.746 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.033 -7.648 -28.863 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.080 -6.284 -29.493 1.00 0.00 H new ATOM 373 N ILE A 22 -7.550 -3.658 -31.603 1.00 0.00 N ATOM 374 CA ILE A 22 -8.288 -3.487 -32.849 1.00 0.00 C ATOM 375 C ILE A 22 -7.347 -3.167 -34.005 1.00 0.00 C ATOM 376 O ILE A 22 -6.125 -3.194 -33.851 1.00 0.00 O ATOM 377 CB ILE A 22 -9.338 -2.366 -32.731 1.00 0.00 C ATOM 378 CG1 ILE A 22 -8.651 -1.008 -32.572 1.00 0.00 C ATOM 379 CG2 ILE A 22 -10.270 -2.635 -31.560 1.00 0.00 C ATOM 380 CD1 ILE A 22 -9.618 0.149 -32.463 1.00 0.00 C ATOM 0 H ILE A 22 -6.823 -2.961 -31.444 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.796 -4.431 -33.048 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.931 -2.346 -33.645 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.022 -1.030 -31.682 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.992 -0.841 -33.424 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.006 -1.834 -31.490 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.781 -3.586 -31.713 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.692 -2.678 -30.637 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.061 1.079 -32.353 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.230 0.197 -33.363 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.261 0.006 -31.594 1.00 0.00 H new ATOM 392 N ILE A 23 -7.923 -2.863 -35.163 1.00 0.00 N ATOM 393 CA ILE A 23 -7.136 -2.536 -36.345 1.00 0.00 C ATOM 394 C ILE A 23 -6.747 -1.061 -36.355 1.00 0.00 C ATOM 395 O ILE A 23 -7.561 -0.191 -36.045 1.00 0.00 O ATOM 396 CB ILE A 23 -7.903 -2.862 -37.640 1.00 0.00 C ATOM 397 CG1 ILE A 23 -8.517 -4.261 -37.557 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.978 -2.755 -38.844 1.00 0.00 C ATOM 399 CD1 ILE A 23 -7.501 -5.354 -37.314 1.00 0.00 C ATOM 0 H ILE A 23 -8.932 -2.836 -35.308 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.234 -3.147 -36.303 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.709 -2.138 -37.759 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.255 -4.278 -36.755 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.049 -4.471 -38.485 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.534 -2.988 -39.752 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.583 -1.741 -38.911 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.153 -3.459 -38.733 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.008 -6.318 -37.267 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.776 -5.365 -38.128 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.985 -5.169 -36.372 1.00 0.00 H new ATOM 411 N LYS A 24 -5.498 -0.786 -36.716 1.00 0.00 N ATOM 412 CA LYS A 24 -5.001 0.583 -36.770 1.00 0.00 C ATOM 413 C LYS A 24 -5.009 1.221 -35.385 1.00 0.00 C ATOM 414 O LYS A 24 -5.234 2.423 -35.246 1.00 0.00 O ATOM 415 CB LYS A 24 -5.849 1.418 -37.732 1.00 0.00 C ATOM 416 CG LYS A 24 -6.099 0.739 -39.068 1.00 0.00 C ATOM 417 CD LYS A 24 -6.439 1.749 -40.151 1.00 0.00 C ATOM 418 CE LYS A 24 -5.185 2.312 -40.802 1.00 0.00 C ATOM 419 NZ LYS A 24 -4.651 3.484 -40.055 1.00 0.00 N ATOM 0 H LYS A 24 -4.811 -1.494 -36.976 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.973 0.555 -37.132 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.807 1.638 -37.261 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.352 2.372 -37.906 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.214 0.174 -39.361 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.915 0.024 -38.967 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.062 1.275 -40.909 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.023 2.562 -39.721 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.422 1.535 -40.853 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.409 2.606 -41.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.369 4.225 -40.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.386 3.854 -39.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.824 3.192 -39.496 1.00 0.00 H new ATOM 433 N CYS A 25 -4.761 0.408 -34.363 1.00 0.00 N ATOM 434 CA CYS A 25 -4.740 0.893 -32.988 1.00 0.00 C ATOM 435 C CYS A 25 -3.325 1.281 -32.570 1.00 0.00 C ATOM 436 O CYS A 25 -2.347 0.818 -33.156 1.00 0.00 O ATOM 437 CB CYS A 25 -5.291 -0.173 -32.040 1.00 0.00 C ATOM 438 SG CYS A 25 -5.997 0.490 -30.514 1.00 0.00 S ATOM 0 H CYS A 25 -4.572 -0.589 -34.461 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.372 1.779 -32.932 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.056 -0.748 -32.562 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.490 -0.867 -31.786 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.438 -0.488 -29.779 1.00 0.00 H new ATOM 444 N GLN A 26 -3.226 2.133 -31.555 1.00 0.00 N ATOM 445 CA GLN A 26 -1.930 2.585 -31.061 1.00 0.00 C ATOM 446 C GLN A 26 -1.429 1.679 -29.941 1.00 0.00 C ATOM 447 O GLN A 26 -2.083 1.533 -28.908 1.00 0.00 O ATOM 448 CB GLN A 26 -2.025 4.027 -30.563 1.00 0.00 C ATOM 449 CG GLN A 26 -3.033 4.218 -29.441 1.00 0.00 C ATOM 450 CD GLN A 26 -3.838 5.494 -29.590 1.00 0.00 C ATOM 451 OE1 GLN A 26 -3.312 6.596 -29.428 1.00 0.00 O ATOM 452 NE2 GLN A 26 -5.121 5.353 -29.902 1.00 0.00 N ATOM 0 H GLN A 26 -4.027 2.524 -31.059 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.219 2.540 -31.886 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.043 4.348 -30.216 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.296 4.674 -31.398 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.712 3.365 -29.419 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.509 4.233 -28.486 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.516 4.421 -30.027 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.711 6.177 -30.017 1.00 0.00 H new ATOM 461 N CYS A 27 -0.267 1.072 -30.153 1.00 0.00 N ATOM 462 CA CYS A 27 0.322 0.179 -29.161 1.00 0.00 C ATOM 463 C CYS A 27 1.744 0.610 -28.817 1.00 0.00 C ATOM 464 O CYS A 27 2.605 0.699 -29.693 1.00 0.00 O ATOM 465 CB CYS A 27 0.323 -1.260 -29.678 1.00 0.00 C ATOM 466 SG CYS A 27 -1.294 -2.067 -29.618 1.00 0.00 S ATOM 0 H CYS A 27 0.286 1.182 -31.003 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.283 0.232 -28.256 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.681 -1.265 -30.707 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.031 -1.845 -29.091 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.137 -3.357 -29.663 1.00 0.00 H new ATOM 472 N TRP A 28 1.982 0.877 -27.539 1.00 0.00 N ATOM 473 CA TRP A 28 3.300 1.301 -27.079 1.00 0.00 C ATOM 474 C TRP A 28 4.157 0.098 -26.700 1.00 0.00 C ATOM 475 O TRP A 28 3.705 -0.798 -25.987 1.00 0.00 O ATOM 476 CB TRP A 28 3.167 2.246 -25.884 1.00 0.00 C ATOM 477 CG TRP A 28 3.034 3.686 -26.277 1.00 0.00 C ATOM 478 CD1 TRP A 28 1.877 4.354 -26.562 1.00 0.00 C ATOM 479 CD2 TRP A 28 4.095 4.634 -26.430 1.00 0.00 C ATOM 480 NE1 TRP A 28 2.156 5.660 -26.883 1.00 0.00 N ATOM 481 CE2 TRP A 28 3.509 5.858 -26.809 1.00 0.00 C ATOM 482 CE3 TRP A 28 5.483 4.570 -26.282 1.00 0.00 C ATOM 483 CZ2 TRP A 28 4.264 7.004 -27.042 1.00 0.00 C ATOM 484 CZ3 TRP A 28 6.231 5.708 -26.514 1.00 0.00 C ATOM 485 CH2 TRP A 28 5.621 6.912 -26.890 1.00 0.00 C ATOM 0 H TRP A 28 1.280 0.808 -26.802 1.00 0.00 H new ATOM 0 HA TRP A 28 3.790 1.829 -27.897 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.297 1.956 -25.296 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.039 2.132 -25.241 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.889 3.919 -26.538 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.467 6.368 -27.136 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.963 3.647 -25.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.796 7.933 -27.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.305 5.669 -26.404 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.234 7.784 -27.063 1.00 0.00 H new ATOM 496 N VAL A 29 5.397 0.085 -27.179 1.00 0.00 N ATOM 497 CA VAL A 29 6.317 -1.008 -26.889 1.00 0.00 C ATOM 498 C VAL A 29 7.286 -0.629 -25.774 1.00 0.00 C ATOM 499 O VAL A 29 8.143 0.236 -25.951 1.00 0.00 O ATOM 500 CB VAL A 29 7.122 -1.411 -28.138 1.00 0.00 C ATOM 501 CG1 VAL A 29 8.104 -2.524 -27.805 1.00 0.00 C ATOM 502 CG2 VAL A 29 6.187 -1.833 -29.261 1.00 0.00 C ATOM 0 H VAL A 29 5.787 0.819 -27.770 1.00 0.00 H new ATOM 0 HA VAL A 29 5.711 -1.855 -26.568 1.00 0.00 H new ATOM 0 HB VAL A 29 7.692 -0.545 -28.476 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.664 -2.795 -28.700 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.795 -2.181 -27.035 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.558 -3.394 -27.441 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.773 -2.114 -30.136 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.589 -2.684 -28.936 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.528 -1.003 -29.517 1.00 0.00 H new ATOM 512 N GLN A 30 7.142 -1.282 -24.625 1.00 0.00 N ATOM 513 CA GLN A 30 8.005 -1.013 -23.481 1.00 0.00 C ATOM 514 C GLN A 30 9.313 -1.789 -23.591 1.00 0.00 C ATOM 515 O GLN A 30 9.364 -2.986 -23.309 1.00 0.00 O ATOM 516 CB GLN A 30 7.290 -1.378 -22.179 1.00 0.00 C ATOM 517 CG GLN A 30 7.781 -0.593 -20.974 1.00 0.00 C ATOM 518 CD GLN A 30 6.888 -0.766 -19.761 1.00 0.00 C ATOM 519 OE1 GLN A 30 6.243 0.181 -19.311 1.00 0.00 O ATOM 520 NE2 GLN A 30 6.846 -1.980 -19.225 1.00 0.00 N ATOM 0 H GLN A 30 6.436 -2.000 -24.462 1.00 0.00 H new ATOM 0 HA GLN A 30 8.235 0.052 -23.475 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.220 -1.208 -22.302 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.423 -2.443 -21.987 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.793 -0.913 -20.724 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.836 0.465 -21.232 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.397 -2.736 -19.631 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.262 -2.157 -18.407 1.00 0.00 H new ATOM 529 N LYS A 31 10.371 -1.099 -24.004 1.00 0.00 N ATOM 530 CA LYS A 31 11.681 -1.722 -24.151 1.00 0.00 C ATOM 531 C LYS A 31 12.374 -1.858 -22.799 1.00 0.00 C ATOM 532 O LYS A 31 11.967 -1.238 -21.817 1.00 0.00 O ATOM 533 CB LYS A 31 12.555 -0.902 -25.103 1.00 0.00 C ATOM 534 CG LYS A 31 13.432 -1.750 -26.007 1.00 0.00 C ATOM 535 CD LYS A 31 14.899 -1.636 -25.628 1.00 0.00 C ATOM 536 CE LYS A 31 15.608 -2.977 -25.732 1.00 0.00 C ATOM 537 NZ LYS A 31 16.397 -3.091 -26.990 1.00 0.00 N ATOM 0 H LYS A 31 10.347 -0.108 -24.243 1.00 0.00 H new ATOM 0 HA LYS A 31 11.536 -2.719 -24.568 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.914 -0.272 -25.720 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.188 -0.235 -24.518 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.119 -2.792 -25.945 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.298 -1.438 -27.043 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.389 -0.913 -26.280 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.984 -1.256 -24.610 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.270 -3.105 -24.875 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.873 -3.781 -25.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.865 -4.019 -27.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.762 -2.994 -27.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 17.116 -2.340 -27.018 1.00 0.00 H new ATOM 551 N ASN A 32 13.424 -2.671 -22.756 1.00 0.00 N ATOM 552 CA ASN A 32 14.174 -2.887 -21.524 1.00 0.00 C ATOM 553 C ASN A 32 14.573 -1.558 -20.890 1.00 0.00 C ATOM 554 O ASN A 32 14.170 -1.248 -19.769 1.00 0.00 O ATOM 555 CB ASN A 32 15.422 -3.727 -21.803 1.00 0.00 C ATOM 556 CG ASN A 32 15.096 -5.190 -22.032 1.00 0.00 C ATOM 557 OD1 ASN A 32 14.520 -5.556 -23.057 1.00 0.00 O ATOM 558 ND2 ASN A 32 15.462 -6.035 -21.076 1.00 0.00 N ATOM 0 H ASN A 32 13.775 -3.191 -23.560 1.00 0.00 H new ATOM 0 HA ASN A 32 13.531 -3.424 -20.826 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.935 -3.331 -22.679 1.00 0.00 H new ATOM 0 HB3 ASN A 32 16.111 -3.638 -20.963 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.268 -7.032 -21.174 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.937 -5.688 -20.243 1.00 0.00 H new ATOM 565 N ASP A 33 15.367 -0.778 -21.615 1.00 0.00 N ATOM 566 CA ASP A 33 15.819 0.519 -21.125 1.00 0.00 C ATOM 567 C ASP A 33 15.444 1.630 -22.100 1.00 0.00 C ATOM 568 O ASP A 33 16.030 2.711 -22.078 1.00 0.00 O ATOM 569 CB ASP A 33 17.333 0.505 -20.906 1.00 0.00 C ATOM 570 CG ASP A 33 17.782 -0.651 -20.034 1.00 0.00 C ATOM 571 OD1 ASP A 33 17.248 -0.792 -18.914 1.00 0.00 O ATOM 572 OD2 ASP A 33 18.666 -1.416 -20.472 1.00 0.00 O ATOM 0 H ASP A 33 15.711 -1.021 -22.544 1.00 0.00 H new ATOM 0 HA ASP A 33 15.323 0.713 -20.174 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.836 0.445 -21.871 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.639 1.444 -20.445 1.00 0.00 H new ATOM 577 N GLU A 34 14.464 1.354 -22.955 1.00 0.00 N ATOM 578 CA GLU A 34 14.012 2.330 -23.939 1.00 0.00 C ATOM 579 C GLU A 34 12.493 2.297 -24.081 1.00 0.00 C ATOM 580 O GLU A 34 11.818 1.490 -23.443 1.00 0.00 O ATOM 581 CB GLU A 34 14.668 2.061 -25.295 1.00 0.00 C ATOM 582 CG GLU A 34 16.167 2.307 -25.305 1.00 0.00 C ATOM 583 CD GLU A 34 16.835 1.791 -26.566 1.00 0.00 C ATOM 584 OE1 GLU A 34 16.331 2.089 -27.669 1.00 0.00 O ATOM 585 OE2 GLU A 34 17.862 1.090 -26.448 1.00 0.00 O ATOM 0 H GLU A 34 13.968 0.463 -22.986 1.00 0.00 H new ATOM 0 HA GLU A 34 14.305 3.321 -23.591 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.476 1.028 -25.583 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.199 2.695 -26.048 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.357 3.376 -25.209 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.616 1.825 -24.437 1.00 0.00 H new ATOM 592 N GLU A 35 11.964 3.180 -24.922 1.00 0.00 N ATOM 593 CA GLU A 35 10.525 3.252 -25.147 1.00 0.00 C ATOM 594 C GLU A 35 10.216 3.493 -26.622 1.00 0.00 C ATOM 595 O GLU A 35 10.748 4.418 -27.235 1.00 0.00 O ATOM 596 CB GLU A 35 9.909 4.366 -24.297 1.00 0.00 C ATOM 597 CG GLU A 35 9.578 3.936 -22.878 1.00 0.00 C ATOM 598 CD GLU A 35 9.398 5.113 -21.939 1.00 0.00 C ATOM 599 OE1 GLU A 35 10.417 5.696 -21.514 1.00 0.00 O ATOM 600 OE2 GLU A 35 8.236 5.452 -21.630 1.00 0.00 O ATOM 0 H GLU A 35 12.510 3.855 -25.458 1.00 0.00 H new ATOM 0 HA GLU A 35 10.089 2.297 -24.854 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.600 5.208 -24.261 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.999 4.721 -24.782 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.665 3.340 -22.886 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.375 3.294 -22.502 1.00 0.00 H new ATOM 607 N ARG A 36 9.352 2.653 -27.184 1.00 0.00 N ATOM 608 CA ARG A 36 8.974 2.773 -28.587 1.00 0.00 C ATOM 609 C ARG A 36 7.455 2.783 -28.741 1.00 0.00 C ATOM 610 O ARG A 36 6.725 2.397 -27.827 1.00 0.00 O ATOM 611 CB ARG A 36 9.571 1.622 -29.399 1.00 0.00 C ATOM 612 CG ARG A 36 9.991 2.022 -30.804 1.00 0.00 C ATOM 613 CD ARG A 36 11.219 2.918 -30.785 1.00 0.00 C ATOM 614 NE ARG A 36 10.864 4.334 -30.794 1.00 0.00 N ATOM 615 CZ ARG A 36 10.308 4.945 -31.835 1.00 0.00 C ATOM 616 NH1 ARG A 36 10.046 4.268 -32.944 1.00 0.00 N ATOM 617 NH2 ARG A 36 10.014 6.237 -31.767 1.00 0.00 N ATOM 0 H ARG A 36 8.901 1.883 -26.690 1.00 0.00 H new ATOM 0 HA ARG A 36 9.368 3.717 -28.964 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.437 1.225 -28.869 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.840 0.816 -29.463 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.201 1.128 -31.391 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.169 2.541 -31.297 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.814 2.699 -29.898 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.843 2.695 -31.650 1.00 0.00 H new ATOM 0 HE ARG A 36 11.053 4.884 -29.956 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.271 3.275 -33.000 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.619 4.740 -33.741 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.215 6.762 -30.916 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.587 6.706 -32.566 1.00 0.00 H new ATOM 631 N LEU A 37 6.987 3.228 -29.902 1.00 0.00 N ATOM 632 CA LEU A 37 5.555 3.290 -30.176 1.00 0.00 C ATOM 633 C LEU A 37 5.257 2.864 -31.610 1.00 0.00 C ATOM 634 O LEU A 37 5.843 3.387 -32.557 1.00 0.00 O ATOM 635 CB LEU A 37 5.030 4.705 -29.932 1.00 0.00 C ATOM 636 CG LEU A 37 3.656 5.023 -30.524 1.00 0.00 C ATOM 637 CD1 LEU A 37 2.586 4.148 -29.890 1.00 0.00 C ATOM 638 CD2 LEU A 37 3.323 6.496 -30.339 1.00 0.00 C ATOM 0 H LEU A 37 7.578 3.551 -30.668 1.00 0.00 H new ATOM 0 HA LEU A 37 5.050 2.601 -29.499 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.988 4.875 -28.856 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.751 5.414 -30.339 1.00 0.00 H new ATOM 0 HG LEU A 37 3.684 4.810 -31.593 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.615 4.388 -30.324 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.817 3.099 -30.076 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.558 4.328 -28.815 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.342 6.704 -30.766 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.314 6.736 -29.276 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.074 7.105 -30.842 1.00 0.00 H new ATOM 650 N ALA A 38 4.340 1.914 -31.761 1.00 0.00 N ATOM 651 CA ALA A 38 3.961 1.422 -33.080 1.00 0.00 C ATOM 652 C ALA A 38 2.457 1.186 -33.166 1.00 0.00 C ATOM 653 O ALA A 38 1.787 1.020 -32.147 1.00 0.00 O ATOM 654 CB ALA A 38 4.717 0.142 -33.403 1.00 0.00 C ATOM 0 H ALA A 38 3.846 1.470 -30.987 1.00 0.00 H new ATOM 0 HA ALA A 38 4.226 2.183 -33.814 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.424 -0.214 -34.391 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.789 0.340 -33.392 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.480 -0.618 -32.658 1.00 0.00 H new ATOM 660 N GLU A 39 1.933 1.173 -34.388 1.00 0.00 N ATOM 661 CA GLU A 39 0.507 0.959 -34.605 1.00 0.00 C ATOM 662 C GLU A 39 0.230 -0.485 -35.013 1.00 0.00 C ATOM 663 O GLU A 39 1.142 -1.219 -35.394 1.00 0.00 O ATOM 664 CB GLU A 39 -0.017 1.914 -35.679 1.00 0.00 C ATOM 665 CG GLU A 39 -1.505 2.199 -35.566 1.00 0.00 C ATOM 666 CD GLU A 39 -1.968 3.274 -36.531 1.00 0.00 C ATOM 667 OE1 GLU A 39 -1.661 3.163 -37.736 1.00 0.00 O ATOM 668 OE2 GLU A 39 -2.638 4.227 -36.079 1.00 0.00 O ATOM 0 H GLU A 39 2.474 1.308 -35.242 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.012 1.159 -33.667 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.530 2.854 -35.615 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.190 1.491 -36.662 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.062 1.282 -35.755 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.736 2.507 -34.546 1.00 0.00 H new ATOM 675 N ILE A 40 -1.035 -0.884 -34.930 1.00 0.00 N ATOM 676 CA ILE A 40 -1.432 -2.240 -35.291 1.00 0.00 C ATOM 677 C ILE A 40 -2.022 -2.283 -36.696 1.00 0.00 C ATOM 678 O ILE A 40 -2.866 -1.460 -37.053 1.00 0.00 O ATOM 679 CB ILE A 40 -2.462 -2.808 -34.296 1.00 0.00 C ATOM 680 CG1 ILE A 40 -1.884 -2.818 -32.880 1.00 0.00 C ATOM 681 CG2 ILE A 40 -2.882 -4.210 -34.712 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.601 -3.610 -32.756 1.00 0.00 C ATOM 0 H ILE A 40 -1.802 -0.289 -34.616 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.531 -2.853 -35.259 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.344 -2.168 -34.304 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.699 -1.791 -32.565 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.625 -3.233 -32.197 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.610 -4.598 -34.000 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.329 -4.176 -35.706 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.008 -4.861 -34.729 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.249 -3.573 -31.725 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.784 -4.646 -33.040 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.156 -3.182 -33.413 1.00 0.00 H new ATOM 694 N LEU A 41 -1.574 -3.250 -37.490 1.00 0.00 N ATOM 695 CA LEU A 41 -2.059 -3.403 -38.857 1.00 0.00 C ATOM 696 C LEU A 41 -3.018 -4.585 -38.966 1.00 0.00 C ATOM 697 O LEU A 41 -4.218 -4.407 -39.175 1.00 0.00 O ATOM 698 CB LEU A 41 -0.884 -3.595 -39.817 1.00 0.00 C ATOM 699 CG LEU A 41 -0.240 -2.317 -40.355 1.00 0.00 C ATOM 700 CD1 LEU A 41 -1.136 -1.666 -41.397 1.00 0.00 C ATOM 701 CD2 LEU A 41 0.050 -1.347 -39.218 1.00 0.00 C ATOM 0 H LEU A 41 -0.876 -3.939 -37.210 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.598 -2.495 -39.129 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.117 -4.178 -39.308 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.226 -4.190 -40.664 1.00 0.00 H new ATOM 0 HG LEU A 41 0.704 -2.581 -40.831 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.661 -0.758 -41.769 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.294 -2.358 -42.224 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.096 -1.415 -40.946 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.508 -0.443 -39.619 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.881 -1.089 -38.714 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.731 -1.814 -38.506 1.00 0.00 H new ATOM 713 N SER A 42 -2.480 -5.792 -38.820 1.00 0.00 N ATOM 714 CA SER A 42 -3.287 -7.003 -38.903 1.00 0.00 C ATOM 715 C SER A 42 -2.959 -7.955 -37.757 1.00 0.00 C ATOM 716 O SER A 42 -2.009 -7.733 -37.005 1.00 0.00 O ATOM 717 CB SER A 42 -3.058 -7.703 -40.244 1.00 0.00 C ATOM 718 OG SER A 42 -3.696 -7.006 -41.299 1.00 0.00 O ATOM 0 H SER A 42 -1.489 -5.957 -38.644 1.00 0.00 H new ATOM 0 HA SER A 42 -4.336 -6.717 -38.825 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.989 -7.772 -40.444 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.439 -8.723 -40.195 1.00 0.00 H new ATOM 0 HG SER A 42 -3.533 -7.473 -42.145 1.00 0.00 H new ATOM 724 N ILE A 43 -3.750 -9.014 -37.630 1.00 0.00 N ATOM 725 CA ILE A 43 -3.544 -10.001 -36.577 1.00 0.00 C ATOM 726 C ILE A 43 -3.698 -11.419 -37.114 1.00 0.00 C ATOM 727 O ILE A 43 -4.628 -11.712 -37.865 1.00 0.00 O ATOM 728 CB ILE A 43 -4.529 -9.795 -35.412 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.546 -8.327 -34.982 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.158 -10.691 -34.240 1.00 0.00 C ATOM 731 CD1 ILE A 43 -5.513 -8.037 -33.855 1.00 0.00 C ATOM 0 H ILE A 43 -4.541 -9.211 -38.244 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.527 -9.863 -36.210 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.529 -10.066 -35.750 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.542 -8.036 -34.672 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.806 -7.708 -35.841 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.864 -10.534 -33.424 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.193 -11.734 -34.554 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.151 -10.448 -33.901 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.471 -6.977 -33.603 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.525 -8.296 -34.168 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.241 -8.629 -32.981 1.00 0.00 H new ATOM 743 N ASN A 44 -2.780 -12.297 -36.723 1.00 0.00 N ATOM 744 CA ASN A 44 -2.815 -13.687 -37.165 1.00 0.00 C ATOM 745 C ASN A 44 -3.422 -14.584 -36.090 1.00 0.00 C ATOM 746 O ASN A 44 -3.100 -14.462 -34.908 1.00 0.00 O ATOM 747 CB ASN A 44 -1.405 -14.169 -37.511 1.00 0.00 C ATOM 748 CG ASN A 44 -1.336 -14.821 -38.878 1.00 0.00 C ATOM 749 OD1 ASN A 44 -2.307 -15.419 -39.343 1.00 0.00 O ATOM 750 ND2 ASN A 44 -0.185 -14.708 -39.530 1.00 0.00 N ATOM 0 H ASN A 44 -2.003 -12.071 -36.102 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.440 -13.744 -38.056 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.717 -13.324 -37.479 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.071 -14.880 -36.755 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.079 -15.126 -40.454 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.594 -14.203 -39.106 1.00 0.00 H new ATOM 757 N THR A 45 -4.302 -15.488 -36.509 1.00 0.00 N ATOM 758 CA THR A 45 -4.955 -16.405 -35.584 1.00 0.00 C ATOM 759 C THR A 45 -4.770 -17.853 -36.023 1.00 0.00 C ATOM 760 O THR A 45 -5.573 -18.722 -35.684 1.00 0.00 O ATOM 761 CB THR A 45 -6.461 -16.106 -35.464 1.00 0.00 C ATOM 762 OG1 THR A 45 -7.104 -16.312 -36.727 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.693 -14.676 -34.999 1.00 0.00 C ATOM 0 H THR A 45 -4.579 -15.604 -37.484 1.00 0.00 H new ATOM 0 HA THR A 45 -4.485 -16.259 -34.611 1.00 0.00 H new ATOM 0 HB THR A 45 -6.886 -16.786 -34.725 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.061 -16.121 -36.642 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.764 -14.488 -34.922 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.228 -14.530 -34.024 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.254 -13.984 -35.718 1.00 0.00 H new ATOM 771 N ARG A 46 -3.707 -18.106 -36.779 1.00 0.00 N ATOM 772 CA ARG A 46 -3.417 -19.449 -37.265 1.00 0.00 C ATOM 773 C ARG A 46 -2.875 -20.329 -36.142 1.00 0.00 C ATOM 774 O ARG A 46 -3.323 -21.460 -35.953 1.00 0.00 O ATOM 775 CB ARG A 46 -2.408 -19.393 -38.414 1.00 0.00 C ATOM 776 CG ARG A 46 -2.059 -20.757 -38.986 1.00 0.00 C ATOM 777 CD ARG A 46 -0.750 -20.718 -39.759 1.00 0.00 C ATOM 778 NE ARG A 46 -0.730 -19.644 -40.748 1.00 0.00 N ATOM 779 CZ ARG A 46 0.281 -19.432 -41.583 1.00 0.00 C ATOM 780 NH1 ARG A 46 1.349 -20.217 -41.549 1.00 0.00 N ATOM 781 NH2 ARG A 46 0.225 -18.434 -42.455 1.00 0.00 N ATOM 0 H ARG A 46 -3.032 -17.398 -37.068 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.348 -19.884 -37.628 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.811 -18.767 -39.210 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.496 -18.912 -38.062 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.984 -21.484 -38.177 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.861 -21.093 -39.643 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.078 -20.585 -39.063 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.596 -21.674 -40.259 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.537 -19.022 -40.801 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.396 -20.986 -40.880 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.124 -20.052 -42.191 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.595 -17.828 -42.485 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.002 -18.272 -43.096 1.00 0.00 H new ATOM 795 N LYS A 47 -1.908 -19.801 -35.399 1.00 0.00 N ATOM 796 CA LYS A 47 -1.305 -20.537 -34.293 1.00 0.00 C ATOM 797 C LYS A 47 -1.139 -19.641 -33.070 1.00 0.00 C ATOM 798 O LYS A 47 -1.035 -18.421 -33.193 1.00 0.00 O ATOM 799 CB LYS A 47 0.054 -21.103 -34.712 1.00 0.00 C ATOM 800 CG LYS A 47 -0.031 -22.114 -35.842 1.00 0.00 C ATOM 801 CD LYS A 47 1.340 -22.417 -36.424 1.00 0.00 C ATOM 802 CE LYS A 47 1.258 -23.454 -37.533 1.00 0.00 C ATOM 803 NZ LYS A 47 2.301 -23.237 -38.574 1.00 0.00 N ATOM 0 H LYS A 47 -1.525 -18.867 -35.542 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.970 -21.360 -34.031 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.702 -20.281 -35.019 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.524 -21.574 -33.849 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.483 -23.035 -35.474 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.683 -21.730 -36.626 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.782 -21.500 -36.814 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.000 -22.778 -35.635 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.372 -24.451 -37.107 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.271 -23.415 -37.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.211 -23.964 -39.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.177 -22.296 -38.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.244 -23.299 -38.139 1.00 0.00 H new ATOM 817 N ALA A 48 -1.114 -20.254 -31.892 1.00 0.00 N ATOM 818 CA ALA A 48 -0.957 -19.512 -30.647 1.00 0.00 C ATOM 819 C ALA A 48 0.475 -19.605 -30.130 1.00 0.00 C ATOM 820 O ALA A 48 1.173 -20.597 -30.340 1.00 0.00 O ATOM 821 CB ALA A 48 -1.933 -20.026 -29.599 1.00 0.00 C ATOM 0 H ALA A 48 -1.200 -21.263 -31.773 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.176 -18.463 -30.848 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.804 -19.463 -28.675 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.954 -19.902 -29.961 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.741 -21.082 -29.410 1.00 0.00 H new ATOM 827 N PRO A 49 0.925 -18.547 -29.438 1.00 0.00 N ATOM 828 CA PRO A 49 0.102 -17.361 -29.183 1.00 0.00 C ATOM 829 C PRO A 49 -0.152 -16.549 -30.448 1.00 0.00 C ATOM 830 O PRO A 49 0.497 -16.737 -31.477 1.00 0.00 O ATOM 831 CB PRO A 49 0.943 -16.554 -28.189 1.00 0.00 C ATOM 832 CG PRO A 49 2.346 -16.983 -28.445 1.00 0.00 C ATOM 833 CD PRO A 49 2.270 -18.428 -28.852 1.00 0.00 C ATOM 0 HA PRO A 49 -0.888 -17.624 -28.811 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.822 -15.482 -28.346 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.647 -16.761 -27.161 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.801 -16.380 -29.231 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.960 -16.861 -27.553 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.046 -18.684 -29.573 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.396 -19.093 -27.998 1.00 0.00 H new ATOM 841 N PRO A 50 -1.119 -15.622 -30.373 1.00 0.00 N ATOM 842 CA PRO A 50 -1.481 -14.762 -31.503 1.00 0.00 C ATOM 843 C PRO A 50 -0.394 -13.742 -31.827 1.00 0.00 C ATOM 844 O PRO A 50 0.341 -13.302 -30.943 1.00 0.00 O ATOM 845 CB PRO A 50 -2.750 -14.056 -31.020 1.00 0.00 C ATOM 846 CG PRO A 50 -2.648 -14.068 -29.534 1.00 0.00 C ATOM 847 CD PRO A 50 -1.934 -15.343 -29.178 1.00 0.00 C ATOM 0 HA PRO A 50 -1.618 -15.333 -32.422 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.807 -13.038 -31.405 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.646 -14.576 -31.360 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.098 -13.199 -29.174 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.636 -14.033 -29.075 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.315 -15.222 -28.289 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.635 -16.152 -28.972 1.00 0.00 H new ATOM 855 N LYS A 51 -0.298 -13.371 -33.099 1.00 0.00 N ATOM 856 CA LYS A 51 0.698 -12.401 -33.539 1.00 0.00 C ATOM 857 C LYS A 51 0.040 -11.075 -33.909 1.00 0.00 C ATOM 858 O LYS A 51 -1.178 -11.000 -34.072 1.00 0.00 O ATOM 859 CB LYS A 51 1.477 -12.948 -34.738 1.00 0.00 C ATOM 860 CG LYS A 51 1.904 -14.396 -34.576 1.00 0.00 C ATOM 861 CD LYS A 51 2.930 -14.554 -33.466 1.00 0.00 C ATOM 862 CE LYS A 51 3.554 -15.941 -33.476 1.00 0.00 C ATOM 863 NZ LYS A 51 3.899 -16.404 -32.104 1.00 0.00 N ATOM 0 H LYS A 51 -0.898 -13.727 -33.843 1.00 0.00 H new ATOM 0 HA LYS A 51 1.388 -12.226 -32.714 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.861 -12.857 -35.633 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.362 -12.332 -34.897 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.031 -15.011 -34.356 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.323 -14.760 -35.514 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.711 -13.802 -33.581 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.455 -14.375 -32.502 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.862 -16.647 -33.934 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.453 -15.930 -34.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.916 -16.617 -32.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.668 -15.658 -31.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.354 -17.261 -31.880 1.00 0.00 H new ATOM 877 N PHE A 52 0.854 -10.033 -34.042 1.00 0.00 N ATOM 878 CA PHE A 52 0.350 -8.710 -34.393 1.00 0.00 C ATOM 879 C PHE A 52 1.365 -7.950 -35.242 1.00 0.00 C ATOM 880 O PHE A 52 2.529 -7.813 -34.864 1.00 0.00 O ATOM 881 CB PHE A 52 0.026 -7.912 -33.129 1.00 0.00 C ATOM 882 CG PHE A 52 -0.748 -8.695 -32.108 1.00 0.00 C ATOM 883 CD1 PHE A 52 -0.094 -9.505 -31.194 1.00 0.00 C ATOM 884 CD2 PHE A 52 -2.131 -8.621 -32.062 1.00 0.00 C ATOM 885 CE1 PHE A 52 -0.803 -10.227 -30.253 1.00 0.00 C ATOM 886 CE2 PHE A 52 -2.846 -9.340 -31.123 1.00 0.00 C ATOM 887 CZ PHE A 52 -2.182 -10.145 -30.218 1.00 0.00 C ATOM 0 H PHE A 52 1.865 -10.079 -33.912 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.562 -8.839 -34.976 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.956 -7.565 -32.680 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.545 -7.026 -33.405 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.984 -9.573 -31.217 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.656 -7.994 -32.768 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.280 -10.854 -29.546 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.924 -9.272 -31.097 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.739 -10.709 -29.485 1.00 0.00 H new ATOM 897 N TYR A 53 0.916 -7.459 -36.392 1.00 0.00 N ATOM 898 CA TYR A 53 1.784 -6.716 -37.297 1.00 0.00 C ATOM 899 C TYR A 53 1.920 -5.263 -36.851 1.00 0.00 C ATOM 900 O TYR A 53 0.983 -4.474 -36.973 1.00 0.00 O ATOM 901 CB TYR A 53 1.238 -6.774 -38.724 1.00 0.00 C ATOM 902 CG TYR A 53 2.253 -6.392 -39.778 1.00 0.00 C ATOM 903 CD1 TYR A 53 3.552 -6.882 -39.729 1.00 0.00 C ATOM 904 CD2 TYR A 53 1.913 -5.541 -40.822 1.00 0.00 C ATOM 905 CE1 TYR A 53 4.483 -6.535 -40.688 1.00 0.00 C ATOM 906 CE2 TYR A 53 2.837 -5.189 -41.787 1.00 0.00 C ATOM 907 CZ TYR A 53 4.121 -5.689 -41.716 1.00 0.00 C ATOM 908 OH TYR A 53 5.045 -5.341 -42.674 1.00 0.00 O ATOM 0 H TYR A 53 -0.045 -7.562 -36.719 1.00 0.00 H new ATOM 0 HA TYR A 53 2.771 -7.178 -37.274 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.880 -7.783 -38.926 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.378 -6.109 -38.802 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.839 -7.546 -38.927 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.909 -5.148 -40.880 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.489 -6.924 -40.634 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.556 -4.526 -42.592 1.00 0.00 H new ATOM 0 HH TYR A 53 5.898 -5.127 -42.243 1.00 0.00 H new ATOM 918 N VAL A 54 3.095 -4.917 -36.334 1.00 0.00 N ATOM 919 CA VAL A 54 3.356 -3.559 -35.871 1.00 0.00 C ATOM 920 C VAL A 54 4.018 -2.725 -36.961 1.00 0.00 C ATOM 921 O VAL A 54 4.925 -3.191 -37.650 1.00 0.00 O ATOM 922 CB VAL A 54 4.255 -3.556 -34.620 1.00 0.00 C ATOM 923 CG1 VAL A 54 3.536 -4.199 -33.444 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.568 -4.269 -34.907 1.00 0.00 C ATOM 0 H VAL A 54 3.881 -5.558 -36.225 1.00 0.00 H new ATOM 0 HA VAL A 54 2.391 -3.120 -35.617 1.00 0.00 H new ATOM 0 HB VAL A 54 4.479 -2.522 -34.357 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.187 -4.188 -32.570 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.625 -3.642 -33.226 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.280 -5.229 -33.693 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.191 -4.258 -34.013 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.366 -5.301 -35.196 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.089 -3.760 -35.718 1.00 0.00 H new ATOM 934 N HIS A 55 3.558 -1.487 -37.113 1.00 0.00 N ATOM 935 CA HIS A 55 4.106 -0.585 -38.119 1.00 0.00 C ATOM 936 C HIS A 55 4.585 0.715 -37.481 1.00 0.00 C ATOM 937 O HIS A 55 3.932 1.259 -36.590 1.00 0.00 O ATOM 938 CB HIS A 55 3.057 -0.284 -39.191 1.00 0.00 C ATOM 939 CG HIS A 55 3.532 0.670 -40.242 1.00 0.00 C ATOM 940 ND1 HIS A 55 2.711 1.605 -40.836 1.00 0.00 N ATOM 941 CD2 HIS A 55 4.752 0.832 -40.805 1.00 0.00 C ATOM 942 CE1 HIS A 55 3.405 2.300 -41.720 1.00 0.00 C ATOM 943 NE2 HIS A 55 4.647 1.851 -41.720 1.00 0.00 N ATOM 0 H HIS A 55 2.807 -1.086 -36.552 1.00 0.00 H new ATOM 0 HA HIS A 55 4.960 -1.077 -38.585 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.758 -1.218 -39.668 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.169 0.128 -38.713 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.643 0.265 -40.577 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.022 3.099 -42.337 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.405 2.204 -42.304 1.00 0.00 H new ATOM 951 N TYR A 56 5.730 1.208 -37.942 1.00 0.00 N ATOM 952 CA TYR A 56 6.298 2.442 -37.414 1.00 0.00 C ATOM 953 C TYR A 56 5.995 3.620 -38.336 1.00 0.00 C ATOM 954 O TYR A 56 6.195 3.541 -39.548 1.00 0.00 O ATOM 955 CB TYR A 56 7.810 2.296 -37.234 1.00 0.00 C ATOM 956 CG TYR A 56 8.203 1.192 -36.279 1.00 0.00 C ATOM 957 CD1 TYR A 56 8.150 -0.141 -36.668 1.00 0.00 C ATOM 958 CD2 TYR A 56 8.627 1.481 -34.988 1.00 0.00 C ATOM 959 CE1 TYR A 56 8.507 -1.153 -35.799 1.00 0.00 C ATOM 960 CE2 TYR A 56 8.987 0.475 -34.113 1.00 0.00 C ATOM 961 CZ TYR A 56 8.925 -0.840 -34.522 1.00 0.00 C ATOM 962 OH TYR A 56 9.283 -1.846 -33.654 1.00 0.00 O ATOM 0 H TYR A 56 6.282 0.771 -38.680 1.00 0.00 H new ATOM 0 HA TYR A 56 5.841 2.637 -36.444 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.266 2.104 -38.205 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.217 3.240 -36.872 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.824 -0.390 -37.667 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.676 2.510 -34.663 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.459 -2.184 -36.117 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.316 0.717 -33.113 1.00 0.00 H new ATOM 0 HH TYR A 56 9.554 -1.457 -32.796 1.00 0.00 H new ATOM 972 N VAL A 57 5.513 4.712 -37.751 1.00 0.00 N ATOM 973 CA VAL A 57 5.183 5.907 -38.518 1.00 0.00 C ATOM 974 C VAL A 57 6.415 6.779 -38.732 1.00 0.00 C ATOM 975 O VAL A 57 6.411 7.967 -38.411 1.00 0.00 O ATOM 976 CB VAL A 57 4.093 6.740 -37.818 1.00 0.00 C ATOM 977 CG1 VAL A 57 2.766 5.996 -37.824 1.00 0.00 C ATOM 978 CG2 VAL A 57 4.515 7.084 -36.398 1.00 0.00 C ATOM 0 H VAL A 57 5.342 4.794 -36.749 1.00 0.00 H new ATOM 0 HA VAL A 57 4.807 5.570 -39.484 1.00 0.00 H new ATOM 0 HB VAL A 57 3.962 7.671 -38.369 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.008 6.600 -37.325 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.460 5.806 -38.853 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.878 5.048 -37.298 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.733 7.673 -35.919 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.675 6.165 -35.833 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.440 7.661 -36.423 1.00 0.00 H new ATOM 988 N ASN A 58 7.469 6.181 -39.278 1.00 0.00 N ATOM 989 CA ASN A 58 8.710 6.904 -39.535 1.00 0.00 C ATOM 990 C ASN A 58 8.956 7.045 -41.034 1.00 0.00 C ATOM 991 O ASN A 58 8.184 6.543 -41.851 1.00 0.00 O ATOM 992 CB ASN A 58 9.890 6.184 -38.879 1.00 0.00 C ATOM 993 CG ASN A 58 10.990 7.140 -38.460 1.00 0.00 C ATOM 994 OD1 ASN A 58 12.130 7.028 -38.913 1.00 0.00 O ATOM 995 ND2 ASN A 58 10.653 8.086 -37.592 1.00 0.00 N ATOM 0 H ASN A 58 7.489 5.198 -39.551 1.00 0.00 H new ATOM 0 HA ASN A 58 8.617 7.901 -39.104 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.537 5.635 -38.006 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.296 5.450 -39.574 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.351 8.758 -37.274 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.696 8.141 -37.243 1.00 0.00 H new ATOM 1002 N TYR A 59 10.037 7.731 -41.388 1.00 0.00 N ATOM 1003 CA TYR A 59 10.385 7.941 -42.789 1.00 0.00 C ATOM 1004 C TYR A 59 10.591 6.609 -43.504 1.00 0.00 C ATOM 1005 O TYR A 59 10.421 6.511 -44.718 1.00 0.00 O ATOM 1006 CB TYR A 59 11.650 8.793 -42.900 1.00 0.00 C ATOM 1007 CG TYR A 59 12.141 8.965 -44.319 1.00 0.00 C ATOM 1008 CD1 TYR A 59 12.969 8.018 -44.909 1.00 0.00 C ATOM 1009 CD2 TYR A 59 11.778 10.076 -45.071 1.00 0.00 C ATOM 1010 CE1 TYR A 59 13.421 8.171 -46.205 1.00 0.00 C ATOM 1011 CE2 TYR A 59 12.224 10.237 -46.369 1.00 0.00 C ATOM 1012 CZ TYR A 59 13.045 9.282 -46.931 1.00 0.00 C ATOM 1013 OH TYR A 59 13.492 9.440 -48.223 1.00 0.00 O ATOM 0 H TYR A 59 10.688 8.151 -40.724 1.00 0.00 H new ATOM 0 HA TYR A 59 9.558 8.466 -43.268 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.455 9.776 -42.470 1.00 0.00 H new ATOM 0 HB3 TYR A 59 12.440 8.335 -42.304 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.265 7.146 -44.344 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.136 10.826 -44.633 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.065 7.425 -46.647 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.931 11.106 -46.940 1.00 0.00 H new ATOM 0 HH TYR A 59 13.135 10.274 -48.593 1.00 0.00 H new ATOM 1023 N ASN A 60 10.958 5.585 -42.740 1.00 0.00 N ATOM 1024 CA ASN A 60 11.188 4.258 -43.299 1.00 0.00 C ATOM 1025 C ASN A 60 9.964 3.368 -43.107 1.00 0.00 C ATOM 1026 O ASN A 60 9.466 3.209 -41.992 1.00 0.00 O ATOM 1027 CB ASN A 60 12.410 3.611 -42.645 1.00 0.00 C ATOM 1028 CG ASN A 60 13.643 4.490 -42.728 1.00 0.00 C ATOM 1029 OD1 ASN A 60 14.105 4.829 -43.817 1.00 0.00 O ATOM 1030 ND2 ASN A 60 14.182 4.863 -41.573 1.00 0.00 N ATOM 0 H ASN A 60 11.102 5.649 -41.732 1.00 0.00 H new ATOM 0 HA ASN A 60 11.372 4.368 -44.368 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.189 3.398 -41.599 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.615 2.656 -43.129 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.013 5.455 -41.565 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.765 4.558 -40.694 1.00 0.00 H new ATOM 1037 N LYS A 61 9.483 2.788 -44.202 1.00 0.00 N ATOM 1038 CA LYS A 61 8.318 1.912 -44.155 1.00 0.00 C ATOM 1039 C LYS A 61 8.729 0.478 -43.838 1.00 0.00 C ATOM 1040 O LYS A 61 7.933 -0.305 -43.319 1.00 0.00 O ATOM 1041 CB LYS A 61 7.568 1.955 -45.489 1.00 0.00 C ATOM 1042 CG LYS A 61 7.375 3.361 -46.032 1.00 0.00 C ATOM 1043 CD LYS A 61 6.257 3.412 -47.061 1.00 0.00 C ATOM 1044 CE LYS A 61 4.890 3.472 -46.396 1.00 0.00 C ATOM 1045 NZ LYS A 61 3.838 3.953 -47.334 1.00 0.00 N ATOM 0 H LYS A 61 9.882 2.909 -45.133 1.00 0.00 H new ATOM 0 HA LYS A 61 7.659 2.267 -43.363 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.114 1.363 -46.223 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.592 1.486 -45.363 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.147 4.041 -45.211 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.304 3.708 -46.485 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.390 4.284 -47.701 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.312 2.533 -47.704 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.622 2.482 -46.026 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.936 4.134 -45.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.921 3.980 -46.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.080 4.908 -47.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.777 3.308 -48.147 1.00 0.00 H new ATOM 1059 N ARG A 62 9.975 0.140 -44.151 1.00 0.00 N ATOM 1060 CA ARG A 62 10.491 -1.200 -43.899 1.00 0.00 C ATOM 1061 C ARG A 62 10.384 -1.553 -42.418 1.00 0.00 C ATOM 1062 O ARG A 62 10.355 -2.728 -42.050 1.00 0.00 O ATOM 1063 CB ARG A 62 11.948 -1.303 -44.355 1.00 0.00 C ATOM 1064 CG ARG A 62 12.897 -0.414 -43.568 1.00 0.00 C ATOM 1065 CD ARG A 62 14.093 0.005 -44.408 1.00 0.00 C ATOM 1066 NE ARG A 62 13.691 0.746 -45.601 1.00 0.00 N ATOM 1067 CZ ARG A 62 14.546 1.382 -46.393 1.00 0.00 C ATOM 1068 NH1 ARG A 62 15.844 1.369 -46.121 1.00 0.00 N ATOM 1069 NH2 ARG A 62 14.104 2.034 -47.461 1.00 0.00 N ATOM 0 H ARG A 62 10.647 0.776 -44.580 1.00 0.00 H new ATOM 0 HA ARG A 62 9.889 -1.908 -44.469 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.276 -2.339 -44.265 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.009 -1.040 -45.411 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.365 0.472 -43.223 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.242 -0.944 -42.680 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.761 0.622 -43.806 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.656 -0.880 -44.704 1.00 0.00 H new ATOM 0 HE ARG A 62 12.699 0.776 -45.838 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.188 0.869 -45.301 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.498 1.859 -46.732 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.107 2.047 -47.674 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.762 2.522 -48.069 1.00 0.00 H new ATOM 1083 N LEU A 63 10.325 -0.530 -41.574 1.00 0.00 N ATOM 1084 CA LEU A 63 10.222 -0.732 -40.133 1.00 0.00 C ATOM 1085 C LEU A 63 9.041 -1.636 -39.793 1.00 0.00 C ATOM 1086 O LEU A 63 9.053 -2.334 -38.779 1.00 0.00 O ATOM 1087 CB LEU A 63 10.071 0.613 -39.419 1.00 0.00 C ATOM 1088 CG LEU A 63 11.172 1.641 -39.684 1.00 0.00 C ATOM 1089 CD1 LEU A 63 10.821 2.975 -39.045 1.00 0.00 C ATOM 1090 CD2 LEU A 63 12.510 1.135 -39.165 1.00 0.00 C ATOM 0 H LEU A 63 10.347 0.448 -41.862 1.00 0.00 H new ATOM 0 HA LEU A 63 11.137 -1.217 -39.793 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.116 1.050 -39.709 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.024 0.429 -38.346 1.00 0.00 H new ATOM 0 HG LEU A 63 11.254 1.788 -40.761 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.616 3.694 -39.244 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.885 3.344 -39.464 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.711 2.845 -37.968 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.282 1.879 -39.362 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.441 0.959 -38.091 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.767 0.203 -39.669 1.00 0.00 H new ATOM 1102 N ASP A 64 8.025 -1.619 -40.649 1.00 0.00 N ATOM 1103 CA ASP A 64 6.838 -2.440 -40.441 1.00 0.00 C ATOM 1104 C ASP A 64 7.211 -3.914 -40.317 1.00 0.00 C ATOM 1105 O ASP A 64 7.646 -4.537 -41.284 1.00 0.00 O ATOM 1106 CB ASP A 64 5.851 -2.247 -41.593 1.00 0.00 C ATOM 1107 CG ASP A 64 4.424 -2.569 -41.194 1.00 0.00 C ATOM 1108 OD1 ASP A 64 4.235 -3.241 -40.158 1.00 0.00 O ATOM 1109 OD2 ASP A 64 3.497 -2.147 -41.915 1.00 0.00 O ATOM 0 H ASP A 64 8.000 -1.046 -41.493 1.00 0.00 H new ATOM 0 HA ASP A 64 6.366 -2.124 -39.511 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.903 -1.216 -41.943 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.144 -2.883 -42.429 1.00 0.00 H new ATOM 1114 N GLU A 65 7.039 -4.464 -39.119 1.00 0.00 N ATOM 1115 CA GLU A 65 7.360 -5.864 -38.868 1.00 0.00 C ATOM 1116 C GLU A 65 6.288 -6.522 -38.004 1.00 0.00 C ATOM 1117 O GLU A 65 5.433 -5.844 -37.434 1.00 0.00 O ATOM 1118 CB GLU A 65 8.724 -5.983 -38.186 1.00 0.00 C ATOM 1119 CG GLU A 65 8.763 -5.381 -36.792 1.00 0.00 C ATOM 1120 CD GLU A 65 10.163 -4.985 -36.366 1.00 0.00 C ATOM 1121 OE1 GLU A 65 10.616 -3.890 -36.759 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.805 -5.771 -35.638 1.00 0.00 O ATOM 0 H GLU A 65 6.679 -3.962 -38.307 1.00 0.00 H new ATOM 0 HA GLU A 65 7.395 -6.380 -39.828 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.000 -7.036 -38.126 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.474 -5.492 -38.806 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.116 -4.504 -36.761 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.360 -6.100 -36.079 1.00 0.00 H new ATOM 1129 N TRP A 66 6.341 -7.846 -37.912 1.00 0.00 N ATOM 1130 CA TRP A 66 5.374 -8.596 -37.118 1.00 0.00 C ATOM 1131 C TRP A 66 6.009 -9.107 -35.829 1.00 0.00 C ATOM 1132 O TRP A 66 7.127 -9.623 -35.839 1.00 0.00 O ATOM 1133 CB TRP A 66 4.819 -9.769 -37.928 1.00 0.00 C ATOM 1134 CG TRP A 66 5.803 -10.886 -38.107 1.00 0.00 C ATOM 1135 CD1 TRP A 66 6.959 -10.851 -38.832 1.00 0.00 C ATOM 1136 CD2 TRP A 66 5.714 -12.202 -37.552 1.00 0.00 C ATOM 1137 NE1 TRP A 66 7.595 -12.066 -38.762 1.00 0.00 N ATOM 1138 CE2 TRP A 66 6.852 -12.913 -37.982 1.00 0.00 C ATOM 1139 CE3 TRP A 66 4.786 -12.850 -36.732 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 7.084 -14.237 -37.620 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 5.017 -14.165 -36.374 1.00 0.00 C ATOM 1142 CH2 TRP A 66 6.158 -14.847 -36.817 1.00 0.00 C ATOM 0 H TRP A 66 7.043 -8.422 -38.377 1.00 0.00 H new ATOM 0 HA TRP A 66 4.556 -7.925 -36.857 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.929 -10.155 -37.432 1.00 0.00 H new ATOM 0 HB3 TRP A 66 4.507 -9.409 -38.908 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.320 -9.994 -39.380 1.00 0.00 H new ATOM 0 HE1 TRP A 66 8.477 -12.300 -39.217 1.00 0.00 H new ATOM 0 HE3 TRP A 66 3.904 -12.333 -36.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 7.963 -14.764 -37.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 4.306 -14.676 -35.742 1.00 0.00 H new ATOM 0 HH2 TRP A 66 6.310 -15.874 -36.519 1.00 0.00 H new ATOM 1153 N ILE A 67 5.289 -8.960 -34.722 1.00 0.00 N ATOM 1154 CA ILE A 67 5.782 -9.409 -33.426 1.00 0.00 C ATOM 1155 C ILE A 67 4.710 -10.184 -32.668 1.00 0.00 C ATOM 1156 O ILE A 67 3.564 -10.277 -33.111 1.00 0.00 O ATOM 1157 CB ILE A 67 6.251 -8.224 -32.561 1.00 0.00 C ATOM 1158 CG1 ILE A 67 5.191 -7.120 -32.552 1.00 0.00 C ATOM 1159 CG2 ILE A 67 7.578 -7.686 -33.074 1.00 0.00 C ATOM 1160 CD1 ILE A 67 5.351 -6.138 -31.412 1.00 0.00 C ATOM 0 H ILE A 67 4.363 -8.534 -34.697 1.00 0.00 H new ATOM 0 HA ILE A 67 6.631 -10.064 -33.621 1.00 0.00 H new ATOM 0 HB ILE A 67 6.394 -8.574 -31.539 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.235 -6.578 -33.497 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.203 -7.576 -32.492 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.896 -6.849 -32.452 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.330 -8.474 -33.034 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.460 -7.349 -34.104 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.566 -5.384 -31.468 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.278 -6.668 -30.462 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.325 -5.654 -31.483 1.00 0.00 H new ATOM 1172 N THR A 68 5.088 -10.739 -31.520 1.00 0.00 N ATOM 1173 CA THR A 68 4.159 -11.505 -30.699 1.00 0.00 C ATOM 1174 C THR A 68 3.627 -10.667 -29.543 1.00 0.00 C ATOM 1175 O THR A 68 3.871 -9.462 -29.470 1.00 0.00 O ATOM 1176 CB THR A 68 4.825 -12.775 -30.135 1.00 0.00 C ATOM 1177 OG1 THR A 68 5.789 -12.421 -29.138 1.00 0.00 O ATOM 1178 CG2 THR A 68 5.501 -13.569 -31.242 1.00 0.00 C ATOM 0 H THR A 68 6.031 -10.672 -31.138 1.00 0.00 H new ATOM 0 HA THR A 68 3.330 -11.794 -31.345 1.00 0.00 H new ATOM 0 HB THR A 68 4.050 -13.396 -29.686 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.206 -13.234 -28.783 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.964 -14.461 -30.820 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.759 -13.862 -31.984 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.265 -12.954 -31.717 1.00 0.00 H new ATOM 1186 N THR A 69 2.898 -11.312 -28.637 1.00 0.00 N ATOM 1187 CA THR A 69 2.330 -10.626 -27.483 1.00 0.00 C ATOM 1188 C THR A 69 3.417 -10.232 -26.489 1.00 0.00 C ATOM 1189 O THR A 69 3.271 -9.258 -25.750 1.00 0.00 O ATOM 1190 CB THR A 69 1.287 -11.503 -26.765 1.00 0.00 C ATOM 1191 OG1 THR A 69 0.564 -10.720 -25.809 1.00 0.00 O ATOM 1192 CG2 THR A 69 1.956 -12.677 -26.066 1.00 0.00 C ATOM 0 H THR A 69 2.687 -12.309 -28.680 1.00 0.00 H new ATOM 0 HA THR A 69 1.841 -9.727 -27.858 1.00 0.00 H new ATOM 0 HB THR A 69 0.595 -11.892 -27.512 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.098 -11.284 -25.358 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.200 -13.282 -25.566 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.481 -13.287 -26.801 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.668 -12.304 -25.329 1.00 0.00 H new ATOM 1200 N ASP A 70 4.505 -10.994 -26.476 1.00 0.00 N ATOM 1201 CA ASP A 70 5.617 -10.722 -25.573 1.00 0.00 C ATOM 1202 C ASP A 70 6.181 -9.325 -25.809 1.00 0.00 C ATOM 1203 O ASP A 70 6.386 -8.560 -24.867 1.00 0.00 O ATOM 1204 CB ASP A 70 6.719 -11.768 -25.758 1.00 0.00 C ATOM 1205 CG ASP A 70 7.778 -11.690 -24.676 1.00 0.00 C ATOM 1206 OD1 ASP A 70 7.556 -12.257 -23.586 1.00 0.00 O ATOM 1207 OD2 ASP A 70 8.829 -11.060 -24.919 1.00 0.00 O ATOM 0 H ASP A 70 4.641 -11.805 -27.080 1.00 0.00 H new ATOM 0 HA ASP A 70 5.243 -10.775 -24.550 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.275 -12.763 -25.757 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.188 -11.629 -26.732 1.00 0.00 H new ATOM 1212 N ARG A 71 6.429 -8.998 -27.073 1.00 0.00 N ATOM 1213 CA ARG A 71 6.971 -7.693 -27.433 1.00 0.00 C ATOM 1214 C ARG A 71 5.979 -6.583 -27.102 1.00 0.00 C ATOM 1215 O ARG A 71 6.348 -5.410 -27.023 1.00 0.00 O ATOM 1216 CB ARG A 71 7.318 -7.655 -28.923 1.00 0.00 C ATOM 1217 CG ARG A 71 8.261 -8.765 -29.357 1.00 0.00 C ATOM 1218 CD ARG A 71 9.676 -8.523 -28.855 1.00 0.00 C ATOM 1219 NE ARG A 71 9.876 -9.047 -27.507 1.00 0.00 N ATOM 1220 CZ ARG A 71 10.998 -8.888 -26.815 1.00 0.00 C ATOM 1221 NH1 ARG A 71 12.016 -8.222 -27.341 1.00 0.00 N ATOM 1222 NH2 ARG A 71 11.104 -9.395 -25.593 1.00 0.00 N ATOM 0 H ARG A 71 6.263 -9.619 -27.865 1.00 0.00 H new ATOM 0 HA ARG A 71 7.879 -7.531 -26.851 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.398 -7.724 -29.504 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.772 -6.692 -29.157 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.898 -9.721 -28.979 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.267 -8.834 -30.445 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.387 -8.992 -29.535 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.885 -7.453 -28.863 1.00 0.00 H new ATOM 0 HE ARG A 71 9.111 -9.564 -27.073 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.939 -7.830 -28.280 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.877 -8.101 -26.807 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.323 -9.908 -25.184 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.967 -9.272 -25.063 1.00 0.00 H new ATOM 1236 N ILE A 72 4.719 -6.959 -26.911 1.00 0.00 N ATOM 1237 CA ILE A 72 3.675 -5.995 -26.588 1.00 0.00 C ATOM 1238 C ILE A 72 3.376 -5.988 -25.093 1.00 0.00 C ATOM 1239 O ILE A 72 2.931 -6.989 -24.534 1.00 0.00 O ATOM 1240 CB ILE A 72 2.375 -6.294 -27.358 1.00 0.00 C ATOM 1241 CG1 ILE A 72 2.633 -6.273 -28.866 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.295 -5.289 -26.986 1.00 0.00 C ATOM 1243 CD1 ILE A 72 1.517 -6.890 -29.679 1.00 0.00 C ATOM 0 H ILE A 72 4.397 -7.925 -26.974 1.00 0.00 H new ATOM 0 HA ILE A 72 4.048 -5.015 -26.886 1.00 0.00 H new ATOM 0 HB ILE A 72 2.028 -7.290 -27.082 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.778 -5.242 -29.187 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.561 -6.805 -29.075 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.383 -5.514 -27.539 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.095 -5.349 -25.916 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.632 -4.283 -27.236 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.768 -6.840 -30.738 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.386 -7.932 -29.386 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.591 -6.343 -29.500 1.00 0.00 H new ATOM 1255 N ASN A 73 3.624 -4.850 -24.451 1.00 0.00 N ATOM 1256 CA ASN A 73 3.380 -4.712 -23.020 1.00 0.00 C ATOM 1257 C ASN A 73 1.887 -4.587 -22.732 1.00 0.00 C ATOM 1258 O ASN A 73 1.386 -3.495 -22.458 1.00 0.00 O ATOM 1259 CB ASN A 73 4.121 -3.490 -22.471 1.00 0.00 C ATOM 1260 CG ASN A 73 3.836 -3.254 -21.001 1.00 0.00 C ATOM 1261 OD1 ASN A 73 4.187 -4.072 -20.150 1.00 0.00 O ATOM 1262 ND2 ASN A 73 3.198 -2.131 -20.695 1.00 0.00 N ATOM 0 H ASN A 73 3.993 -4.011 -24.899 1.00 0.00 H new ATOM 0 HA ASN A 73 3.753 -5.608 -22.525 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.193 -3.624 -22.613 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.832 -2.607 -23.041 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.980 -1.917 -19.722 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.926 -1.482 -21.433 1.00 0.00 H new ATOM 1269 N LEU A 74 1.182 -5.711 -22.794 1.00 0.00 N ATOM 1270 CA LEU A 74 -0.254 -5.728 -22.540 1.00 0.00 C ATOM 1271 C LEU A 74 -0.541 -5.860 -21.047 1.00 0.00 C ATOM 1272 O LEU A 74 -1.092 -6.865 -20.597 1.00 0.00 O ATOM 1273 CB LEU A 74 -0.913 -6.880 -23.301 1.00 0.00 C ATOM 1274 CG LEU A 74 -2.391 -6.697 -23.647 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -2.543 -5.944 -24.959 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -3.093 -8.046 -23.719 1.00 0.00 C ATOM 0 H LEU A 74 1.581 -6.622 -23.018 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.671 -4.784 -22.890 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.361 -7.040 -24.227 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.809 -7.788 -22.707 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.859 -6.108 -22.858 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.602 -5.823 -25.189 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.077 -4.963 -24.871 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.060 -6.505 -25.759 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.144 -7.896 -23.966 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.623 -8.660 -24.487 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.015 -8.549 -22.755 1.00 0.00 H new ATOM 1288 N ASP A 75 -0.165 -4.838 -20.286 1.00 0.00 N ATOM 1289 CA ASP A 75 -0.385 -4.838 -18.844 1.00 0.00 C ATOM 1290 C ASP A 75 -1.390 -3.761 -18.448 1.00 0.00 C ATOM 1291 O ASP A 75 -1.370 -3.262 -17.322 1.00 0.00 O ATOM 1292 CB ASP A 75 0.936 -4.617 -18.105 1.00 0.00 C ATOM 1293 CG ASP A 75 0.928 -5.216 -16.713 1.00 0.00 C ATOM 1294 OD1 ASP A 75 0.763 -6.448 -16.598 1.00 0.00 O ATOM 1295 OD2 ASP A 75 1.085 -4.451 -15.737 1.00 0.00 O ATOM 0 H ASP A 75 0.293 -4.000 -20.643 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.791 -5.810 -18.563 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.750 -5.057 -18.682 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.136 -3.548 -18.036 1.00 0.00 H new ATOM 1300 N LYS A 76 -2.267 -3.405 -19.380 1.00 0.00 N ATOM 1301 CA LYS A 76 -3.281 -2.388 -19.130 1.00 0.00 C ATOM 1302 C LYS A 76 -4.409 -2.945 -18.268 1.00 0.00 C ATOM 1303 O LYS A 76 -4.526 -4.157 -18.090 1.00 0.00 O ATOM 1304 CB LYS A 76 -3.845 -1.864 -20.452 1.00 0.00 C ATOM 1305 CG LYS A 76 -2.928 -0.881 -21.158 1.00 0.00 C ATOM 1306 CD LYS A 76 -3.003 0.501 -20.532 1.00 0.00 C ATOM 1307 CE LYS A 76 -2.603 1.584 -21.521 1.00 0.00 C ATOM 1308 NZ LYS A 76 -1.136 1.588 -21.777 1.00 0.00 N ATOM 0 H LYS A 76 -2.296 -3.807 -20.317 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.810 -1.565 -18.593 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.038 -2.708 -21.115 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.804 -1.381 -20.262 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.901 -1.245 -21.116 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.201 -0.819 -22.211 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.017 0.687 -20.178 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.349 0.543 -19.661 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.135 1.432 -22.460 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.907 2.557 -21.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.904 2.341 -22.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.628 1.758 -20.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.849 0.668 -22.168 1.00 0.00 H new ATOM 1322 N GLU A 77 -5.239 -2.052 -17.737 1.00 0.00 N ATOM 1323 CA GLU A 77 -6.358 -2.456 -16.895 1.00 0.00 C ATOM 1324 C GLU A 77 -7.686 -2.241 -17.615 1.00 0.00 C ATOM 1325 O GLU A 77 -7.846 -1.285 -18.374 1.00 0.00 O ATOM 1326 CB GLU A 77 -6.345 -1.673 -15.580 1.00 0.00 C ATOM 1327 CG GLU A 77 -6.468 -0.170 -15.766 1.00 0.00 C ATOM 1328 CD GLU A 77 -5.128 0.500 -16.002 1.00 0.00 C ATOM 1329 OE1 GLU A 77 -4.137 0.084 -15.366 1.00 0.00 O ATOM 1330 OE2 GLU A 77 -5.070 1.440 -16.822 1.00 0.00 O ATOM 0 H GLU A 77 -5.157 -1.045 -17.875 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.250 -3.519 -16.677 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.165 -2.021 -14.951 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.420 -1.890 -15.047 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.126 0.035 -16.610 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.937 0.264 -14.883 1.00 0.00 H new ATOM 1337 N VAL A 78 -8.637 -3.137 -17.371 1.00 0.00 N ATOM 1338 CA VAL A 78 -9.952 -3.046 -17.995 1.00 0.00 C ATOM 1339 C VAL A 78 -10.899 -2.194 -17.159 1.00 0.00 C ATOM 1340 O VAL A 78 -10.955 -2.326 -15.935 1.00 0.00 O ATOM 1341 CB VAL A 78 -10.575 -4.440 -18.197 1.00 0.00 C ATOM 1342 CG1 VAL A 78 -10.826 -5.112 -16.855 1.00 0.00 C ATOM 1343 CG2 VAL A 78 -11.863 -4.337 -18.999 1.00 0.00 C ATOM 0 H VAL A 78 -8.521 -3.934 -16.746 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.809 -2.576 -18.968 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.872 -5.055 -18.759 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.266 -6.096 -17.017 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.882 -5.221 -16.320 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.509 -4.502 -16.265 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.289 -5.331 -19.132 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.574 -3.706 -18.466 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.650 -3.900 -19.975 1.00 0.00 H new ATOM 1353 N LEU A 79 -11.644 -1.319 -17.826 1.00 0.00 N ATOM 1354 CA LEU A 79 -12.591 -0.444 -17.144 1.00 0.00 C ATOM 1355 C LEU A 79 -13.994 -1.043 -17.159 1.00 0.00 C ATOM 1356 O LEU A 79 -14.639 -1.112 -18.206 1.00 0.00 O ATOM 1357 CB LEU A 79 -12.606 0.936 -17.804 1.00 0.00 C ATOM 1358 CG LEU A 79 -11.514 1.907 -17.354 1.00 0.00 C ATOM 1359 CD1 LEU A 79 -11.525 3.160 -18.216 1.00 0.00 C ATOM 1360 CD2 LEU A 79 -11.691 2.267 -15.886 1.00 0.00 C ATOM 0 H LEU A 79 -11.610 -1.197 -18.838 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.271 -0.341 -16.107 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.523 0.802 -18.883 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.575 1.397 -17.614 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.548 1.417 -17.473 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.741 3.839 -17.881 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.348 2.887 -19.256 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.493 3.653 -18.129 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.905 2.959 -15.584 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.664 2.737 -15.741 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.632 1.363 -15.280 1.00 0.00 H new ATOM 1372 N TYR A 80 -14.461 -1.472 -15.992 1.00 0.00 N ATOM 1373 CA TYR A 80 -15.787 -2.065 -15.871 1.00 0.00 C ATOM 1374 C TYR A 80 -16.670 -1.240 -14.939 1.00 0.00 C ATOM 1375 O TYR A 80 -16.773 -1.506 -13.742 1.00 0.00 O ATOM 1376 CB TYR A 80 -15.682 -3.500 -15.353 1.00 0.00 C ATOM 1377 CG TYR A 80 -15.495 -4.527 -16.447 1.00 0.00 C ATOM 1378 CD1 TYR A 80 -16.410 -4.637 -17.487 1.00 0.00 C ATOM 1379 CD2 TYR A 80 -14.403 -5.386 -16.442 1.00 0.00 C ATOM 1380 CE1 TYR A 80 -16.244 -5.574 -18.488 1.00 0.00 C ATOM 1381 CE2 TYR A 80 -14.228 -6.325 -17.440 1.00 0.00 C ATOM 1382 CZ TYR A 80 -15.151 -6.415 -18.461 1.00 0.00 C ATOM 1383 OH TYR A 80 -14.981 -7.350 -19.457 1.00 0.00 O ATOM 0 H TYR A 80 -13.941 -1.420 -15.116 1.00 0.00 H new ATOM 0 HA TYR A 80 -16.244 -2.075 -16.861 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.845 -3.566 -14.658 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.584 -3.741 -14.790 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -17.266 -3.978 -17.513 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -13.678 -5.318 -15.644 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -16.966 -5.648 -19.288 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.373 -6.985 -17.421 1.00 0.00 H new ATOM 0 HH TYR A 80 -14.162 -7.861 -19.290 1.00 0.00 H new ATOM 1393 N PRO A 81 -17.324 -0.213 -15.502 1.00 0.00 N ATOM 1394 CA PRO A 81 -18.211 0.673 -14.741 1.00 0.00 C ATOM 1395 C PRO A 81 -19.491 -0.029 -14.300 1.00 0.00 C ATOM 1396 O PRO A 81 -20.166 -0.674 -15.103 1.00 0.00 O ATOM 1397 CB PRO A 81 -18.530 1.793 -15.734 1.00 0.00 C ATOM 1398 CG PRO A 81 -18.353 1.172 -17.076 1.00 0.00 C ATOM 1399 CD PRO A 81 -17.249 0.163 -16.923 1.00 0.00 C ATOM 0 HA PRO A 81 -17.746 1.022 -13.819 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -19.547 2.163 -15.600 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.861 2.643 -15.600 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -19.274 0.695 -17.410 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -18.095 1.923 -17.823 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -17.398 -0.698 -17.575 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -16.278 0.589 -17.175 1.00 0.00 H new ATOM 1407 N LYS A 82 -19.821 0.102 -13.020 1.00 0.00 N ATOM 1408 CA LYS A 82 -21.022 -0.518 -12.472 1.00 0.00 C ATOM 1409 C LYS A 82 -22.267 -0.041 -13.213 1.00 0.00 C ATOM 1410 O LYS A 82 -22.363 1.124 -13.601 1.00 0.00 O ATOM 1411 CB LYS A 82 -21.150 -0.199 -10.981 1.00 0.00 C ATOM 1412 CG LYS A 82 -22.199 -1.034 -10.267 1.00 0.00 C ATOM 1413 CD LYS A 82 -21.859 -1.220 -8.798 1.00 0.00 C ATOM 1414 CE LYS A 82 -22.917 -2.045 -8.082 1.00 0.00 C ATOM 1415 NZ LYS A 82 -22.788 -3.497 -8.387 1.00 0.00 N ATOM 0 H LYS A 82 -19.274 0.632 -12.342 1.00 0.00 H new ATOM 0 HA LYS A 82 -20.935 -1.597 -12.601 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -20.184 -0.356 -10.500 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -21.397 0.856 -10.864 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -23.172 -0.552 -10.358 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -22.279 -2.008 -10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -20.890 -1.711 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -21.769 -0.246 -8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -22.831 -1.891 -7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -23.908 -1.699 -8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -23.527 -4.025 -7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -22.895 -3.648 -9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -21.852 -3.834 -8.084 1.00 0.00 H new ATOM 1429 N LEU A 83 -23.218 -0.948 -13.406 1.00 0.00 N ATOM 1430 CA LEU A 83 -24.459 -0.620 -14.100 1.00 0.00 C ATOM 1431 C LEU A 83 -25.566 -1.602 -13.730 1.00 0.00 C ATOM 1432 O LEU A 83 -25.300 -2.689 -13.215 1.00 0.00 O ATOM 1433 CB LEU A 83 -24.238 -0.629 -15.613 1.00 0.00 C ATOM 1434 CG LEU A 83 -25.009 0.423 -16.411 1.00 0.00 C ATOM 1435 CD1 LEU A 83 -24.171 0.931 -17.573 1.00 0.00 C ATOM 1436 CD2 LEU A 83 -26.328 -0.148 -16.911 1.00 0.00 C ATOM 0 H LEU A 83 -23.154 -1.916 -13.092 1.00 0.00 H new ATOM 0 HA LEU A 83 -24.767 0.379 -13.790 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -23.174 -0.494 -15.805 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -24.508 -1.614 -15.993 1.00 0.00 H new ATOM 0 HG LEU A 83 -25.227 1.264 -15.752 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -24.736 1.679 -18.129 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -23.254 1.379 -17.191 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -23.922 0.100 -18.233 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -26.863 0.614 -17.477 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -26.133 -1.006 -17.554 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -26.934 -0.462 -16.061 1.00 0.00 H new ATOM 1448 N LYS A 84 -26.808 -1.214 -13.998 1.00 0.00 N ATOM 1449 CA LYS A 84 -27.956 -2.061 -13.698 1.00 0.00 C ATOM 1450 C LYS A 84 -29.094 -1.803 -14.680 1.00 0.00 C ATOM 1451 O LYS A 84 -29.202 -0.717 -15.248 1.00 0.00 O ATOM 1452 CB LYS A 84 -28.438 -1.813 -12.266 1.00 0.00 C ATOM 1453 CG LYS A 84 -28.869 -0.380 -12.009 1.00 0.00 C ATOM 1454 CD LYS A 84 -29.913 -0.300 -10.908 1.00 0.00 C ATOM 1455 CE LYS A 84 -29.279 -0.405 -9.530 1.00 0.00 C ATOM 1456 NZ LYS A 84 -28.855 0.926 -9.012 1.00 0.00 N ATOM 0 H LYS A 84 -27.045 -0.318 -14.423 1.00 0.00 H new ATOM 0 HA LYS A 84 -27.644 -3.101 -13.796 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -29.274 -2.479 -12.053 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -27.638 -2.073 -11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -28.001 0.218 -11.732 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -29.272 0.049 -12.926 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -30.457 0.641 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -30.641 -1.101 -11.037 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -29.989 -0.855 -8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -28.415 -1.068 -9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -28.428 0.812 -8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -28.158 1.345 -9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -29.683 1.551 -8.943 1.00 0.00 H new ATOM 1470 N ALA A 85 -29.941 -2.808 -14.874 1.00 0.00 N ATOM 1471 CA ALA A 85 -31.073 -2.689 -15.785 1.00 0.00 C ATOM 1472 C ALA A 85 -32.231 -1.945 -15.127 1.00 0.00 C ATOM 1473 O ALA A 85 -32.625 -2.258 -14.003 1.00 0.00 O ATOM 1474 CB ALA A 85 -31.524 -4.065 -16.251 1.00 0.00 C ATOM 0 H ALA A 85 -29.865 -3.714 -14.412 1.00 0.00 H new ATOM 0 HA ALA A 85 -30.750 -2.113 -16.652 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -32.370 -3.960 -16.930 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -30.703 -4.561 -16.768 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -31.823 -4.661 -15.389 1.00 0.00 H new ATOM 1480 N THR A 86 -32.773 -0.959 -15.834 1.00 0.00 N ATOM 1481 CA THR A 86 -33.884 -0.170 -15.318 1.00 0.00 C ATOM 1482 C THR A 86 -35.117 -0.311 -16.204 1.00 0.00 C ATOM 1483 O THR A 86 -35.015 -0.700 -17.368 1.00 0.00 O ATOM 1484 CB THR A 86 -33.512 1.321 -15.210 1.00 0.00 C ATOM 1485 OG1 THR A 86 -32.845 1.748 -16.403 1.00 0.00 O ATOM 1486 CG2 THR A 86 -32.616 1.569 -14.005 1.00 0.00 C ATOM 0 H THR A 86 -32.460 -0.688 -16.766 1.00 0.00 H new ATOM 0 HA THR A 86 -34.109 -0.554 -14.323 1.00 0.00 H new ATOM 0 HB THR A 86 -34.431 1.894 -15.084 1.00 0.00 H new ATOM 0 HG1 THR A 86 -32.614 2.697 -16.327 1.00 0.00 H new ATOM 0 HG21 THR A 86 -32.366 2.629 -13.949 1.00 0.00 H new ATOM 0 HG22 THR A 86 -33.138 1.271 -13.096 1.00 0.00 H new ATOM 0 HG23 THR A 86 -31.701 0.985 -14.106 1.00 0.00 H new ATOM 1494 N ASP A 87 -36.280 0.008 -15.647 1.00 0.00 N ATOM 1495 CA ASP A 87 -37.533 -0.082 -16.387 1.00 0.00 C ATOM 1496 C ASP A 87 -38.547 0.930 -15.864 1.00 0.00 C ATOM 1497 O ASP A 87 -38.925 0.895 -14.694 1.00 0.00 O ATOM 1498 CB ASP A 87 -38.107 -1.496 -16.290 1.00 0.00 C ATOM 1499 CG ASP A 87 -39.225 -1.737 -17.286 1.00 0.00 C ATOM 1500 OD1 ASP A 87 -38.924 -2.147 -18.427 1.00 0.00 O ATOM 1501 OD2 ASP A 87 -40.399 -1.516 -16.924 1.00 0.00 O ATOM 0 H ASP A 87 -36.381 0.331 -14.685 1.00 0.00 H new ATOM 0 HA ASP A 87 -37.326 0.146 -17.433 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -37.311 -2.221 -16.460 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -38.481 -1.665 -15.280 1.00 0.00 H new ATOM 1506 N GLU A 88 -38.982 1.832 -16.739 1.00 0.00 N ATOM 1507 CA GLU A 88 -39.951 2.855 -16.364 1.00 0.00 C ATOM 1508 C GLU A 88 -41.293 2.609 -17.046 1.00 0.00 C ATOM 1509 O GLU A 88 -41.350 2.074 -18.153 1.00 0.00 O ATOM 1510 CB GLU A 88 -39.426 4.244 -16.730 1.00 0.00 C ATOM 1511 CG GLU A 88 -40.159 5.376 -16.029 1.00 0.00 C ATOM 1512 CD GLU A 88 -39.426 6.699 -16.135 1.00 0.00 C ATOM 1513 OE1 GLU A 88 -38.179 6.682 -16.206 1.00 0.00 O ATOM 1514 OE2 GLU A 88 -40.098 7.751 -16.146 1.00 0.00 O ATOM 0 H GLU A 88 -38.679 1.875 -17.712 1.00 0.00 H new ATOM 0 HA GLU A 88 -40.097 2.803 -15.285 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -38.366 4.300 -16.481 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -39.508 4.382 -17.808 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -41.155 5.481 -16.460 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -40.292 5.122 -14.977 1.00 0.00 H new ATOM 1521 N ASP A 89 -42.371 3.003 -16.377 1.00 0.00 N ATOM 1522 CA ASP A 89 -43.714 2.827 -16.918 1.00 0.00 C ATOM 1523 C ASP A 89 -44.314 4.167 -17.331 1.00 0.00 C ATOM 1524 O ASP A 89 -44.468 4.449 -18.520 1.00 0.00 O ATOM 1525 CB ASP A 89 -44.616 2.146 -15.888 1.00 0.00 C ATOM 1526 CG ASP A 89 -44.533 2.800 -14.522 1.00 0.00 C ATOM 1527 OD1 ASP A 89 -44.821 4.011 -14.426 1.00 0.00 O ATOM 1528 OD2 ASP A 89 -44.179 2.100 -13.551 1.00 0.00 O ATOM 0 H ASP A 89 -42.341 3.446 -15.459 1.00 0.00 H new ATOM 0 HA ASP A 89 -43.643 2.194 -17.802 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -45.648 2.173 -16.238 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -44.336 1.096 -15.802 1.00 0.00 H new TER 1533 ASP A 89