USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1070 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 79 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 133 HIS : no HD1:sc= 0.0752 K(o=0.075,f=-2!) USER MOD Set 2.1: A 57 CYS SG : rot 33:sc= 2 USER MOD Set 2.2: A 68 CYS SG : rot -102:sc= 0.73 USER MOD Set 3.1: A 30 GLN : amide:sc= 1.7 K(o=0.38,f=-7.3) USER MOD Set 3.2: A 36 SER OG : rot 180:sc= -0.0285 USER MOD Set 3.3: A 38 HIS : no HE2:sc= -1.29! C(o=0.38!,f=-11!) USER MOD Set 4.1: A 23 THR OG1 : rot 118:sc= -0.214 USER MOD Set 4.2: A 25 SER OG : rot -90:sc= 0.127 USER MOD Single : A 1 TYR N :NH3+ 149:sc= 0.243 (180deg=0.0566) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 1:sc= 0.331 USER MOD Single : A 9 MET CE :methyl 138:sc= -0.0168 (180deg=-0.0816) USER MOD Single : A 10 HIS : no HD1:sc= -0.0339 X(o=-0.034,f=0) USER MOD Single : A 12 SER OG : rot -65:sc= 1.05 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc=1.75e-05 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 152:sc= -0.261 (180deg=-0.991) USER MOD Single : A 29 CYS SG : rot -128:sc= -1.27! USER MOD Single : A 34 SER OG : rot 180:sc= -2.72! USER MOD Single : A 35 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.55) USER MOD Single : A 40 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.64) USER MOD Single : A 42 TYR OH : rot 158:sc= 0.872 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0571 USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= 2.39 (180deg=2.23) USER MOD Single : A 49 ASN : amide:sc= -0.0131 K(o=-0.013,f=-3.1!) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 1.15 (180deg=0.997) USER MOD Single : A 51 ASN : amide:sc= 0.997 K(o=1,f=-1.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0443 K(o=-0.044,f=-3.7!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.058 K(o=0.058,f=-10!) USER MOD Single : A 70 THR OG1 : rot 81:sc= 1.31 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.086 USER MOD Single : A 74 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.11) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 2.15 (180deg=1.98) USER MOD Single : A 80 CYS SG : rot 97:sc= 1.18 USER MOD Single : A 85 CYS SG : rot 48:sc= -0.41 USER MOD Single : B 102 SER OG : rot 180:sc= -0.626 USER MOD Single : B 105 LYS NZ :NH3+ 137:sc= 1.67 (180deg=-0.676) USER MOD Single : B 107 THR OG1 : rot -71:sc= 1.33 USER MOD Single : B 113 GLN : amide:sc= 0.572 K(o=0.57,f=-2.5!) USER MOD Single : B 116 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.22) USER MOD Single : B 117 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.2!) USER MOD Single : B 129 LYS NZ :NH3+ 143:sc= 1.38 (180deg=0.918) USER MOD Single : B 130 SER OG : rot 86:sc= 0.575 USER MOD Single : B 135 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.0097) USER MOD Single : B 137 LYS NZ :NH3+ 173:sc= 1.31 (180deg=1.12) USER MOD Single : B 138 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0639) USER MOD Single : B 143 LYS NZ :NH3+ -158:sc= 2.49 (180deg=1.91) USER MOD Single : B 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 152 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -23.276 5.400 -14.852 1.00 15.00 N ATOM 2 CA TYR A 1 -24.714 5.572 -15.166 1.00 15.00 C ATOM 3 C TYR A 1 -25.230 6.861 -14.539 1.00 15.00 C ATOM 4 O TYR A 1 -25.458 7.853 -15.230 1.00 15.00 O ATOM 5 CB TYR A 1 -25.531 4.376 -14.660 1.00 15.00 C ATOM 6 CG TYR A 1 -25.062 3.041 -15.196 1.00 15.00 C ATOM 7 CD1 TYR A 1 -24.782 2.871 -16.545 1.00 15.00 C ATOM 8 CD2 TYR A 1 -24.910 1.946 -14.352 1.00 15.00 C ATOM 9 CE1 TYR A 1 -24.363 1.651 -17.039 1.00 15.00 C ATOM 10 CE2 TYR A 1 -24.491 0.722 -14.838 1.00 15.00 C ATOM 11 CZ TYR A 1 -24.219 0.579 -16.183 1.00 15.00 C ATOM 12 OH TYR A 1 -23.803 -0.638 -16.675 1.00 15.00 O ATOM 0 H1 TYR A 1 -23.053 4.386 -14.791 1.00 15.00 H new ATOM 0 H2 TYR A 1 -22.702 5.836 -15.602 1.00 15.00 H new ATOM 0 H3 TYR A 1 -23.062 5.857 -13.943 1.00 15.00 H new ATOM 0 HA TYR A 1 -24.827 5.628 -16.249 1.00 15.00 H new ATOM 0 HB2 TYR A 1 -25.488 4.354 -13.571 1.00 15.00 H new ATOM 0 HB3 TYR A 1 -26.576 4.520 -14.935 1.00 15.00 H new ATOM 0 HD1 TYR A 1 -24.894 3.707 -17.220 1.00 15.00 H new ATOM 0 HD2 TYR A 1 -25.123 2.054 -13.299 1.00 15.00 H new ATOM 0 HE1 TYR A 1 -24.149 1.537 -18.091 1.00 15.00 H new ATOM 0 HE2 TYR A 1 -24.377 -0.118 -14.169 1.00 15.00 H new ATOM 0 HH TYR A 1 -23.752 -1.287 -15.942 1.00 15.00 H new ATOM 24 N VAL A 2 -25.392 6.844 -13.226 1.00 15.00 N ATOM 25 CA VAL A 2 -25.863 8.008 -12.492 1.00 15.00 C ATOM 26 C VAL A 2 -24.922 8.277 -11.329 1.00 15.00 C ATOM 27 O VAL A 2 -24.223 7.371 -10.877 1.00 15.00 O ATOM 28 CB VAL A 2 -27.301 7.820 -11.964 1.00 15.00 C ATOM 29 CG1 VAL A 2 -28.307 7.957 -13.097 1.00 15.00 C ATOM 30 CG2 VAL A 2 -27.452 6.476 -11.266 1.00 15.00 C ATOM 0 H VAL A 2 -25.202 6.029 -12.642 1.00 15.00 H new ATOM 0 HA VAL A 2 -25.876 8.855 -13.177 1.00 15.00 H new ATOM 0 HB VAL A 2 -27.501 8.602 -11.232 1.00 15.00 H new ATOM 0 HG11 VAL A 2 -29.316 7.821 -12.706 1.00 15.00 H new ATOM 0 HG12 VAL A 2 -28.220 8.948 -13.543 1.00 15.00 H new ATOM 0 HG13 VAL A 2 -28.107 7.200 -13.855 1.00 15.00 H new ATOM 0 HG21 VAL A 2 -28.474 6.367 -10.903 1.00 15.00 H new ATOM 0 HG22 VAL A 2 -27.230 5.674 -11.969 1.00 15.00 H new ATOM 0 HG23 VAL A 2 -26.761 6.423 -10.425 1.00 15.00 H new ATOM 40 N GLU A 3 -24.902 9.508 -10.841 1.00 15.00 N ATOM 41 CA GLU A 3 -24.019 9.865 -9.736 1.00 15.00 C ATOM 42 C GLU A 3 -24.565 9.353 -8.407 1.00 15.00 C ATOM 43 O GLU A 3 -23.845 9.305 -7.409 1.00 15.00 O ATOM 44 CB GLU A 3 -23.820 11.375 -9.677 1.00 15.00 C ATOM 45 CG GLU A 3 -22.396 11.778 -9.327 1.00 15.00 C ATOM 46 CD GLU A 3 -21.377 11.231 -10.306 1.00 15.00 C ATOM 47 OE1 GLU A 3 -21.258 11.796 -11.417 1.00 15.00 O ATOM 48 OE2 GLU A 3 -20.690 10.244 -9.975 1.00 15.00 O1- ATOM 0 H GLU A 3 -25.481 10.273 -11.188 1.00 15.00 H new ATOM 0 HA GLU A 3 -23.054 9.390 -9.913 1.00 15.00 H new ATOM 0 HB2 GLU A 3 -24.087 11.808 -10.641 1.00 15.00 H new ATOM 0 HB3 GLU A 3 -24.502 11.796 -8.938 1.00 15.00 H new ATOM 0 HG2 GLU A 3 -22.325 12.865 -9.305 1.00 15.00 H new ATOM 0 HG3 GLU A 3 -22.158 11.423 -8.324 1.00 15.00 H new ATOM 55 N PHE A 4 -25.838 8.982 -8.396 1.00 15.00 N ATOM 56 CA PHE A 4 -26.472 8.462 -7.193 1.00 15.00 C ATOM 57 C PHE A 4 -25.879 7.102 -6.845 1.00 15.00 C ATOM 58 O PHE A 4 -26.138 6.107 -7.524 1.00 15.00 O ATOM 59 CB PHE A 4 -27.984 8.347 -7.396 1.00 15.00 C ATOM 60 CG PHE A 4 -28.632 9.647 -7.783 1.00 15.00 C ATOM 61 CD1 PHE A 4 -28.728 10.684 -6.870 1.00 15.00 C ATOM 62 CD2 PHE A 4 -29.139 9.831 -9.057 1.00 15.00 C ATOM 63 CE1 PHE A 4 -29.319 11.882 -7.223 1.00 15.00 C ATOM 64 CE2 PHE A 4 -29.732 11.025 -9.415 1.00 15.00 C ATOM 65 CZ PHE A 4 -29.824 12.052 -8.497 1.00 15.00 C ATOM 0 H PHE A 4 -26.453 9.032 -9.208 1.00 15.00 H new ATOM 0 HA PHE A 4 -26.287 9.151 -6.369 1.00 15.00 H new ATOM 0 HB2 PHE A 4 -28.185 7.605 -8.169 1.00 15.00 H new ATOM 0 HB3 PHE A 4 -28.440 7.981 -6.476 1.00 15.00 H new ATOM 0 HD1 PHE A 4 -28.337 10.555 -5.872 1.00 15.00 H new ATOM 0 HD2 PHE A 4 -29.070 9.031 -9.780 1.00 15.00 H new ATOM 0 HE1 PHE A 4 -29.386 12.685 -6.503 1.00 15.00 H new ATOM 0 HE2 PHE A 4 -30.124 11.156 -10.413 1.00 15.00 H new ATOM 0 HZ PHE A 4 -30.290 12.986 -8.775 1.00 15.00 H new ATOM 75 N SER A 5 -25.066 7.070 -5.799 1.00 15.00 N ATOM 76 CA SER A 5 -24.416 5.842 -5.372 1.00 15.00 C ATOM 77 C SER A 5 -24.735 5.529 -3.913 1.00 15.00 C ATOM 78 O SER A 5 -24.408 6.306 -3.014 1.00 15.00 O ATOM 79 CB SER A 5 -22.905 5.969 -5.569 1.00 15.00 C ATOM 80 OG SER A 5 -22.616 6.714 -6.742 1.00 15.00 O ATOM 0 H SER A 5 -24.841 7.885 -5.229 1.00 15.00 H new ATOM 0 HA SER A 5 -24.794 5.019 -5.979 1.00 15.00 H new ATOM 0 HB2 SER A 5 -22.459 6.457 -4.702 1.00 15.00 H new ATOM 0 HB3 SER A 5 -22.457 4.978 -5.642 1.00 15.00 H new ATOM 0 HG SER A 5 -21.645 6.787 -6.852 1.00 15.00 H new ATOM 86 N GLU A 6 -25.371 4.391 -3.685 1.00 15.00 N ATOM 87 CA GLU A 6 -25.730 3.974 -2.340 1.00 15.00 C ATOM 88 C GLU A 6 -25.231 2.558 -2.083 1.00 15.00 C ATOM 89 O GLU A 6 -25.779 1.597 -2.621 1.00 15.00 O ATOM 90 CB GLU A 6 -27.246 4.048 -2.149 1.00 15.00 C ATOM 91 CG GLU A 6 -27.674 4.014 -0.694 1.00 15.00 C ATOM 92 CD GLU A 6 -26.988 5.081 0.130 1.00 15.00 C ATOM 93 OE1 GLU A 6 -25.953 4.776 0.761 1.00 15.00 O ATOM 94 OE2 GLU A 6 -27.475 6.228 0.151 1.00 15.00 O1- ATOM 0 H GLU A 6 -25.650 3.738 -4.417 1.00 15.00 H new ATOM 0 HA GLU A 6 -25.258 4.647 -1.624 1.00 15.00 H new ATOM 0 HB2 GLU A 6 -27.618 4.964 -2.608 1.00 15.00 H new ATOM 0 HB3 GLU A 6 -27.712 3.216 -2.676 1.00 15.00 H new ATOM 0 HG2 GLU A 6 -28.754 4.148 -0.632 1.00 15.00 H new ATOM 0 HG3 GLU A 6 -27.450 3.033 -0.274 1.00 15.00 H new ATOM 101 N GLU A 7 -24.182 2.435 -1.279 1.00 15.00 N ATOM 102 CA GLU A 7 -23.608 1.130 -0.973 1.00 15.00 C ATOM 103 C GLU A 7 -22.968 1.124 0.411 1.00 15.00 C ATOM 104 O GLU A 7 -22.679 2.180 0.978 1.00 15.00 O ATOM 105 CB GLU A 7 -22.561 0.759 -2.026 1.00 15.00 C ATOM 106 CG GLU A 7 -21.452 1.792 -2.172 1.00 15.00 C ATOM 107 CD GLU A 7 -20.582 1.551 -3.388 1.00 15.00 C ATOM 108 OE1 GLU A 7 -19.402 1.179 -3.216 1.00 15.00 O ATOM 109 OE2 GLU A 7 -21.083 1.713 -4.522 1.00 15.00 O1- ATOM 0 H GLU A 7 -23.712 3.220 -0.828 1.00 15.00 H new ATOM 0 HA GLU A 7 -24.413 0.395 -0.984 1.00 15.00 H new ATOM 0 HB2 GLU A 7 -22.119 -0.202 -1.764 1.00 15.00 H new ATOM 0 HB3 GLU A 7 -23.056 0.630 -2.989 1.00 15.00 H new ATOM 0 HG2 GLU A 7 -21.894 2.786 -2.238 1.00 15.00 H new ATOM 0 HG3 GLU A 7 -20.830 1.779 -1.277 1.00 15.00 H new ATOM 116 N CYS A 8 -22.767 -0.071 0.952 1.00 15.00 N ATOM 117 CA CYS A 8 -22.147 -0.246 2.258 1.00 15.00 C ATOM 118 C CYS A 8 -21.340 -1.545 2.267 1.00 15.00 C ATOM 119 O CYS A 8 -21.790 -2.560 1.739 1.00 15.00 O ATOM 120 CB CYS A 8 -23.215 -0.267 3.358 1.00 15.00 C ATOM 121 SG CYS A 8 -24.117 1.293 3.538 1.00 15.00 S ATOM 0 H CYS A 8 -23.029 -0.946 0.497 1.00 15.00 H new ATOM 0 HA CYS A 8 -21.477 0.591 2.454 1.00 15.00 H new ATOM 0 HB2 CYS A 8 -23.927 -1.064 3.144 1.00 15.00 H new ATOM 0 HB3 CYS A 8 -22.739 -0.511 4.308 1.00 15.00 H new ATOM 0 HG CYS A 8 -23.689 2.146 2.655 1.00 15.00 H new ATOM 127 N MET A 9 -20.149 -1.519 2.858 1.00 15.00 N ATOM 128 CA MET A 9 -19.297 -2.705 2.898 1.00 15.00 C ATOM 129 C MET A 9 -19.133 -3.206 4.326 1.00 15.00 C ATOM 130 O MET A 9 -19.449 -2.494 5.280 1.00 15.00 O ATOM 131 CB MET A 9 -17.932 -2.404 2.275 1.00 15.00 C ATOM 132 CG MET A 9 -18.022 -1.944 0.830 1.00 15.00 C ATOM 133 SD MET A 9 -18.865 -3.133 -0.231 1.00 15.00 S ATOM 134 CE MET A 9 -19.546 -2.041 -1.474 1.00 15.00 C ATOM 0 H MET A 9 -19.753 -0.696 3.313 1.00 15.00 H new ATOM 0 HA MET A 9 -19.779 -3.491 2.316 1.00 15.00 H new ATOM 0 HB2 MET A 9 -17.433 -1.635 2.864 1.00 15.00 H new ATOM 0 HB3 MET A 9 -17.311 -3.298 2.327 1.00 15.00 H new ATOM 0 HG2 MET A 9 -18.549 -0.990 0.789 1.00 15.00 H new ATOM 0 HG3 MET A 9 -17.017 -1.770 0.446 1.00 15.00 H new ATOM 0 HE1 MET A 9 -19.422 -2.489 -2.460 1.00 15.00 H new ATOM 0 HE2 MET A 9 -20.607 -1.884 -1.278 1.00 15.00 H new ATOM 0 HE3 MET A 9 -19.025 -1.084 -1.442 1.00 15.00 H new ATOM 144 N HIS A 10 -18.642 -4.432 4.464 1.00 15.00 N ATOM 145 CA HIS A 10 -18.469 -5.049 5.772 1.00 15.00 C ATOM 146 C HIS A 10 -17.135 -4.680 6.421 1.00 15.00 C ATOM 147 O HIS A 10 -16.101 -5.284 6.131 1.00 15.00 O ATOM 148 CB HIS A 10 -18.581 -6.572 5.646 1.00 15.00 C ATOM 149 CG HIS A 10 -18.800 -7.283 6.951 1.00 15.00 C ATOM 150 ND1 HIS A 10 -20.026 -7.818 7.277 1.00 15.00 N ATOM 151 CD2 HIS A 10 -17.931 -7.524 7.963 1.00 15.00 C ATOM 152 CE1 HIS A 10 -19.875 -8.368 8.471 1.00 15.00 C ATOM 153 NE2 HIS A 10 -18.625 -8.213 8.923 1.00 15.00 N ATOM 0 H HIS A 10 -18.356 -5.020 3.681 1.00 15.00 H new ATOM 0 HA HIS A 10 -19.260 -4.667 6.418 1.00 15.00 H new ATOM 0 HB2 HIS A 10 -19.404 -6.810 4.973 1.00 15.00 H new ATOM 0 HB3 HIS A 10 -17.671 -6.955 5.185 1.00 15.00 H new ATOM 0 HD2 HIS A 10 -16.893 -7.230 8.005 1.00 15.00 H new ATOM 0 HE1 HIS A 10 -20.660 -8.877 9.011 1.00 15.00 H new ATOM 0 HE2 HIS A 10 -18.258 -8.545 9.815 1.00 15.00 H new ATOM 161 N GLY A 11 -17.193 -3.686 7.297 1.00 15.00 N ATOM 162 CA GLY A 11 -16.033 -3.233 8.051 1.00 15.00 C ATOM 163 C GLY A 11 -14.790 -2.979 7.222 1.00 15.00 C ATOM 164 O GLY A 11 -14.758 -2.073 6.391 1.00 15.00 O ATOM 0 H GLY A 11 -18.048 -3.170 7.505 1.00 15.00 H new ATOM 0 HA2 GLY A 11 -16.296 -2.314 8.576 1.00 15.00 H new ATOM 0 HA3 GLY A 11 -15.799 -3.978 8.811 1.00 15.00 H new ATOM 168 N SER A 12 -13.771 -3.802 7.450 1.00 15.00 N ATOM 169 CA SER A 12 -12.488 -3.667 6.773 1.00 15.00 C ATOM 170 C SER A 12 -12.523 -4.173 5.335 1.00 15.00 C ATOM 171 O SER A 12 -11.566 -3.965 4.592 1.00 15.00 O ATOM 172 CB SER A 12 -11.422 -4.415 7.573 1.00 15.00 C ATOM 173 OG SER A 12 -11.395 -3.955 8.914 1.00 15.00 O ATOM 0 H SER A 12 -13.812 -4.580 8.109 1.00 15.00 H new ATOM 0 HA SER A 12 -12.249 -2.605 6.721 1.00 15.00 H new ATOM 0 HB2 SER A 12 -11.628 -5.485 7.553 1.00 15.00 H new ATOM 0 HB3 SER A 12 -10.445 -4.270 7.113 1.00 15.00 H new ATOM 0 HG SER A 12 -11.105 -3.019 8.933 1.00 15.00 H new ATOM 179 N GLY A 13 -13.613 -4.831 4.952 1.00 15.00 N ATOM 180 CA GLY A 13 -13.738 -5.352 3.602 1.00 15.00 C ATOM 181 C GLY A 13 -12.536 -6.183 3.191 1.00 15.00 C ATOM 182 O GLY A 13 -11.885 -5.896 2.184 1.00 15.00 O ATOM 0 H GLY A 13 -14.415 -5.013 5.555 1.00 15.00 H new ATOM 0 HA2 GLY A 13 -14.639 -5.961 3.532 1.00 15.00 H new ATOM 0 HA3 GLY A 13 -13.859 -4.523 2.905 1.00 15.00 H new ATOM 186 N GLU A 14 -12.241 -7.210 3.978 1.00 15.00 N ATOM 187 CA GLU A 14 -11.106 -8.086 3.715 1.00 15.00 C ATOM 188 C GLU A 14 -11.317 -8.852 2.410 1.00 15.00 C ATOM 189 O GLU A 14 -10.363 -9.277 1.759 1.00 15.00 O ATOM 190 CB GLU A 14 -10.928 -9.048 4.888 1.00 15.00 C ATOM 191 CG GLU A 14 -9.504 -9.538 5.081 1.00 15.00 C ATOM 192 CD GLU A 14 -9.281 -10.922 4.510 1.00 15.00 C ATOM 193 OE1 GLU A 14 -8.169 -11.192 4.015 1.00 15.00 O ATOM 194 OE2 GLU A 14 -10.221 -11.748 4.552 1.00 15.00 O1- ATOM 0 H GLU A 14 -12.777 -7.458 4.810 1.00 15.00 H new ATOM 0 HA GLU A 14 -10.202 -7.487 3.609 1.00 15.00 H new ATOM 0 HB2 GLU A 14 -11.257 -8.553 5.802 1.00 15.00 H new ATOM 0 HB3 GLU A 14 -11.580 -9.909 4.739 1.00 15.00 H new ATOM 0 HG2 GLU A 14 -8.816 -8.838 4.607 1.00 15.00 H new ATOM 0 HG3 GLU A 14 -9.268 -9.546 6.145 1.00 15.00 H new ATOM 201 N ASN A 15 -12.577 -9.012 2.040 1.00 15.00 N ATOM 202 CA ASN A 15 -12.940 -9.711 0.816 1.00 15.00 C ATOM 203 C ASN A 15 -13.615 -8.749 -0.156 1.00 15.00 C ATOM 204 O ASN A 15 -14.436 -9.148 -0.984 1.00 15.00 O ATOM 205 CB ASN A 15 -13.854 -10.896 1.128 1.00 15.00 C ATOM 206 CG ASN A 15 -13.150 -12.230 0.954 1.00 15.00 C ATOM 207 OD1 ASN A 15 -13.246 -12.867 -0.097 1.00 15.00 O ATOM 208 ND2 ASN A 15 -12.433 -12.660 1.981 1.00 15.00 N ATOM 0 H ASN A 15 -13.373 -8.664 2.575 1.00 15.00 H new ATOM 0 HA ASN A 15 -12.033 -10.096 0.349 1.00 15.00 H new ATOM 0 HB2 ASN A 15 -14.218 -10.811 2.152 1.00 15.00 H new ATOM 0 HB3 ASN A 15 -14.726 -10.861 0.475 1.00 15.00 H new ATOM 0 HD21 ASN A 15 -11.935 -13.548 1.919 1.00 15.00 H new ATOM 0 HD22 ASN A 15 -12.379 -12.103 2.834 1.00 15.00 H new ATOM 215 N TYR A 16 -13.267 -7.471 -0.033 1.00 15.00 N ATOM 216 CA TYR A 16 -13.823 -6.434 -0.893 1.00 15.00 C ATOM 217 C TYR A 16 -13.187 -6.494 -2.277 1.00 15.00 C ATOM 218 O TYR A 16 -11.993 -6.238 -2.438 1.00 15.00 O ATOM 219 CB TYR A 16 -13.596 -5.049 -0.273 1.00 15.00 C ATOM 220 CG TYR A 16 -14.093 -3.892 -1.121 1.00 15.00 C ATOM 221 CD1 TYR A 16 -15.449 -3.705 -1.361 1.00 15.00 C ATOM 222 CD2 TYR A 16 -13.200 -2.980 -1.672 1.00 15.00 C ATOM 223 CE1 TYR A 16 -15.900 -2.645 -2.124 1.00 15.00 C ATOM 224 CE2 TYR A 16 -13.643 -1.917 -2.439 1.00 15.00 C ATOM 225 CZ TYR A 16 -14.994 -1.753 -2.662 1.00 15.00 C ATOM 226 OH TYR A 16 -15.445 -0.692 -3.420 1.00 15.00 O ATOM 0 H TYR A 16 -12.599 -7.129 0.658 1.00 15.00 H new ATOM 0 HA TYR A 16 -14.895 -6.606 -0.991 1.00 15.00 H new ATOM 0 HB2 TYR A 16 -14.093 -5.013 0.696 1.00 15.00 H new ATOM 0 HB3 TYR A 16 -12.530 -4.917 -0.090 1.00 15.00 H new ATOM 0 HD1 TYR A 16 -16.163 -4.400 -0.944 1.00 15.00 H new ATOM 0 HD2 TYR A 16 -12.141 -3.103 -1.498 1.00 15.00 H new ATOM 0 HE1 TYR A 16 -16.958 -2.515 -2.299 1.00 15.00 H new ATOM 0 HE2 TYR A 16 -12.935 -1.219 -2.861 1.00 15.00 H new ATOM 0 HH TYR A 16 -14.681 -0.158 -3.723 1.00 15.00 H new ATOM 236 N ASP A 17 -13.988 -6.840 -3.272 1.00 15.00 N ATOM 237 CA ASP A 17 -13.502 -6.930 -4.641 1.00 15.00 C ATOM 238 C ASP A 17 -14.128 -5.843 -5.506 1.00 15.00 C ATOM 239 O ASP A 17 -14.365 -6.039 -6.694 1.00 15.00 O ATOM 240 CB ASP A 17 -13.797 -8.305 -5.239 1.00 15.00 C ATOM 241 CG ASP A 17 -12.711 -8.756 -6.199 1.00 15.00 C ATOM 242 OD1 ASP A 17 -12.058 -9.783 -5.916 1.00 15.00 O ATOM 243 OD2 ASP A 17 -12.496 -8.087 -7.235 1.00 15.00 O1- ATOM 0 H ASP A 17 -14.977 -7.063 -3.158 1.00 15.00 H new ATOM 0 HA ASP A 17 -12.422 -6.787 -4.620 1.00 15.00 H new ATOM 0 HB2 ASP A 17 -13.896 -9.035 -4.436 1.00 15.00 H new ATOM 0 HB3 ASP A 17 -14.753 -8.275 -5.762 1.00 15.00 H new ATOM 248 N GLY A 18 -14.398 -4.699 -4.900 1.00 15.00 N ATOM 249 CA GLY A 18 -14.979 -3.593 -5.631 1.00 15.00 C ATOM 250 C GLY A 18 -13.984 -2.973 -6.589 1.00 15.00 C ATOM 251 O GLY A 18 -12.783 -2.935 -6.309 1.00 15.00 O ATOM 0 H GLY A 18 -14.225 -4.515 -3.912 1.00 15.00 H new ATOM 0 HA2 GLY A 18 -15.851 -3.941 -6.186 1.00 15.00 H new ATOM 0 HA3 GLY A 18 -15.329 -2.836 -4.929 1.00 15.00 H new ATOM 255 N LYS A 19 -14.471 -2.490 -7.722 1.00 15.00 N ATOM 256 CA LYS A 19 -13.602 -1.883 -8.714 1.00 15.00 C ATOM 257 C LYS A 19 -13.367 -0.413 -8.406 1.00 15.00 C ATOM 258 O LYS A 19 -14.250 0.428 -8.591 1.00 15.00 O ATOM 259 CB LYS A 19 -14.190 -2.036 -10.114 1.00 15.00 C ATOM 260 CG LYS A 19 -14.129 -3.458 -10.642 1.00 15.00 C ATOM 261 CD LYS A 19 -14.669 -3.548 -12.056 1.00 15.00 C ATOM 262 CE LYS A 19 -14.761 -4.992 -12.522 1.00 15.00 C ATOM 263 NZ LYS A 19 -15.387 -5.105 -13.864 1.00 15.00 N1+ ATOM 0 H LYS A 19 -15.459 -2.507 -7.975 1.00 15.00 H new ATOM 0 HA LYS A 19 -12.644 -2.401 -8.678 1.00 15.00 H new ATOM 0 HB2 LYS A 19 -15.229 -1.705 -10.102 1.00 15.00 H new ATOM 0 HB3 LYS A 19 -13.654 -1.379 -10.799 1.00 15.00 H new ATOM 0 HG2 LYS A 19 -13.098 -3.811 -10.622 1.00 15.00 H new ATOM 0 HG3 LYS A 19 -14.704 -4.115 -9.989 1.00 15.00 H new ATOM 0 HD2 LYS A 19 -15.655 -3.086 -12.101 1.00 15.00 H new ATOM 0 HD3 LYS A 19 -14.023 -2.987 -12.731 1.00 15.00 H new ATOM 0 HE2 LYS A 19 -13.762 -5.428 -12.550 1.00 15.00 H new ATOM 0 HE3 LYS A 19 -15.341 -5.569 -11.802 1.00 15.00 H new ATOM 0 HZ1 LYS A 19 -15.430 -6.106 -14.144 1.00 15.00 H new ATOM 0 HZ2 LYS A 19 -16.350 -4.712 -13.832 1.00 15.00 H new ATOM 0 HZ3 LYS A 19 -14.820 -4.576 -14.557 1.00 15.00 H new ATOM 277 N ILE A 20 -12.174 -0.118 -7.920 1.00 15.00 N ATOM 278 CA ILE A 20 -11.789 1.242 -7.586 1.00 15.00 C ATOM 279 C ILE A 20 -10.268 1.361 -7.628 1.00 15.00 C ATOM 280 O ILE A 20 -9.557 0.516 -7.081 1.00 15.00 O ATOM 281 CB ILE A 20 -12.334 1.672 -6.198 1.00 15.00 C ATOM 282 CG1 ILE A 20 -11.828 3.071 -5.828 1.00 15.00 C ATOM 283 CG2 ILE A 20 -11.954 0.660 -5.122 1.00 15.00 C ATOM 284 CD1 ILE A 20 -12.564 3.699 -4.662 1.00 15.00 C ATOM 0 H ILE A 20 -11.447 -0.812 -7.746 1.00 15.00 H new ATOM 0 HA ILE A 20 -12.229 1.914 -8.323 1.00 15.00 H new ATOM 0 HB ILE A 20 -13.422 1.705 -6.259 1.00 15.00 H new ATOM 0 HG12 ILE A 20 -10.767 3.011 -5.586 1.00 15.00 H new ATOM 0 HG13 ILE A 20 -11.920 3.722 -6.697 1.00 15.00 H new ATOM 0 HG21 ILE A 20 -12.349 0.986 -4.160 1.00 15.00 H new ATOM 0 HG22 ILE A 20 -12.373 -0.314 -5.374 1.00 15.00 H new ATOM 0 HG23 ILE A 20 -10.868 0.583 -5.062 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -12.150 4.687 -4.460 1.00 15.00 H new ATOM 0 HD12 ILE A 20 -13.622 3.792 -4.907 1.00 15.00 H new ATOM 0 HD13 ILE A 20 -12.450 3.070 -3.779 1.00 15.00 H new ATOM 296 N SER A 21 -9.776 2.378 -8.315 1.00 15.00 N ATOM 297 CA SER A 21 -8.340 2.595 -8.443 1.00 15.00 C ATOM 298 C SER A 21 -7.929 3.954 -7.885 1.00 15.00 C ATOM 299 O SER A 21 -7.034 4.614 -8.419 1.00 15.00 O ATOM 300 CB SER A 21 -7.946 2.485 -9.915 1.00 15.00 C ATOM 301 OG SER A 21 -9.063 2.749 -10.753 1.00 15.00 O ATOM 0 H SER A 21 -10.350 3.071 -8.796 1.00 15.00 H new ATOM 0 HA SER A 21 -7.819 1.833 -7.863 1.00 15.00 H new ATOM 0 HB2 SER A 21 -7.144 3.190 -10.136 1.00 15.00 H new ATOM 0 HB3 SER A 21 -7.559 1.487 -10.120 1.00 15.00 H new ATOM 0 HG SER A 21 -8.792 2.676 -11.692 1.00 15.00 H new ATOM 307 N LYS A 22 -8.570 4.360 -6.797 1.00 15.00 N ATOM 308 CA LYS A 22 -8.266 5.642 -6.174 1.00 15.00 C ATOM 309 C LYS A 22 -8.286 5.535 -4.654 1.00 15.00 C ATOM 310 O LYS A 22 -8.959 4.672 -4.088 1.00 15.00 O ATOM 311 CB LYS A 22 -9.262 6.708 -6.637 1.00 15.00 C ATOM 312 CG LYS A 22 -8.941 7.289 -8.005 1.00 15.00 C ATOM 313 CD LYS A 22 -9.988 8.296 -8.451 1.00 15.00 C ATOM 314 CE LYS A 22 -11.302 7.621 -8.819 1.00 15.00 C ATOM 315 NZ LYS A 22 -12.255 8.576 -9.443 1.00 15.00 N1+ ATOM 0 H LYS A 22 -9.300 3.823 -6.329 1.00 15.00 H new ATOM 0 HA LYS A 22 -7.262 5.934 -6.482 1.00 15.00 H new ATOM 0 HB2 LYS A 22 -10.261 6.273 -6.662 1.00 15.00 H new ATOM 0 HB3 LYS A 22 -9.284 7.515 -5.905 1.00 15.00 H new ATOM 0 HG2 LYS A 22 -7.963 7.770 -7.975 1.00 15.00 H new ATOM 0 HG3 LYS A 22 -8.877 6.483 -8.736 1.00 15.00 H new ATOM 0 HD2 LYS A 22 -10.161 9.018 -7.653 1.00 15.00 H new ATOM 0 HD3 LYS A 22 -9.613 8.854 -9.309 1.00 15.00 H new ATOM 0 HE2 LYS A 22 -11.108 6.798 -9.507 1.00 15.00 H new ATOM 0 HE3 LYS A 22 -11.752 7.189 -7.925 1.00 15.00 H new ATOM 0 HZ1 LYS A 22 -13.138 8.080 -9.680 1.00 15.00 H new ATOM 0 HZ2 LYS A 22 -12.459 9.348 -8.777 1.00 15.00 H new ATOM 0 HZ3 LYS A 22 -11.835 8.969 -10.310 1.00 15.00 H new ATOM 329 N THR A 23 -7.537 6.416 -4.005 1.00 15.00 N ATOM 330 CA THR A 23 -7.458 6.450 -2.551 1.00 15.00 C ATOM 331 C THR A 23 -8.432 7.478 -1.974 1.00 15.00 C ATOM 332 O THR A 23 -9.169 8.131 -2.715 1.00 15.00 O ATOM 333 CB THR A 23 -6.030 6.801 -2.088 1.00 15.00 C ATOM 334 OG1 THR A 23 -5.558 7.954 -2.795 1.00 15.00 O ATOM 335 CG2 THR A 23 -5.078 5.636 -2.311 1.00 15.00 C ATOM 0 H THR A 23 -6.969 7.125 -4.469 1.00 15.00 H new ATOM 0 HA THR A 23 -7.724 5.457 -2.188 1.00 15.00 H new ATOM 0 HB THR A 23 -6.063 7.015 -1.020 1.00 15.00 H new ATOM 0 HG1 THR A 23 -5.379 8.677 -2.159 1.00 15.00 H new ATOM 0 HG21 THR A 23 -4.079 5.913 -1.975 1.00 15.00 H new ATOM 0 HG22 THR A 23 -5.424 4.770 -1.746 1.00 15.00 H new ATOM 0 HG23 THR A 23 -5.048 5.388 -3.372 1.00 15.00 H new ATOM 343 N MET A 24 -8.416 7.641 -0.654 1.00 15.00 N ATOM 344 CA MET A 24 -9.295 8.599 0.013 1.00 15.00 C ATOM 345 C MET A 24 -8.895 10.031 -0.330 1.00 15.00 C ATOM 346 O MET A 24 -9.710 10.949 -0.256 1.00 15.00 O ATOM 347 CB MET A 24 -9.272 8.396 1.539 1.00 15.00 C ATOM 348 CG MET A 24 -7.897 8.557 2.176 1.00 15.00 C ATOM 349 SD MET A 24 -7.489 10.271 2.573 1.00 15.00 S ATOM 350 CE MET A 24 -8.732 10.645 3.805 1.00 15.00 C ATOM 0 H MET A 24 -7.804 7.122 -0.024 1.00 15.00 H new ATOM 0 HA MET A 24 -10.310 8.425 -0.345 1.00 15.00 H new ATOM 0 HB2 MET A 24 -9.957 9.109 1.998 1.00 15.00 H new ATOM 0 HB3 MET A 24 -9.650 7.399 1.766 1.00 15.00 H new ATOM 0 HG2 MET A 24 -7.854 7.960 3.087 1.00 15.00 H new ATOM 0 HG3 MET A 24 -7.142 8.159 1.499 1.00 15.00 H new ATOM 0 HE1 MET A 24 -8.353 11.410 4.483 1.00 15.00 H new ATOM 0 HE2 MET A 24 -9.634 11.010 3.313 1.00 15.00 H new ATOM 0 HE3 MET A 24 -8.967 9.743 4.370 1.00 15.00 H new ATOM 360 N SER A 25 -7.644 10.210 -0.729 1.00 15.00 N ATOM 361 CA SER A 25 -7.129 11.523 -1.081 1.00 15.00 C ATOM 362 C SER A 25 -7.359 11.822 -2.561 1.00 15.00 C ATOM 363 O SER A 25 -6.924 12.856 -3.067 1.00 15.00 O ATOM 364 CB SER A 25 -5.640 11.588 -0.746 1.00 15.00 C ATOM 365 OG SER A 25 -5.108 10.280 -0.586 1.00 15.00 O ATOM 0 H SER A 25 -6.963 9.455 -0.817 1.00 15.00 H new ATOM 0 HA SER A 25 -7.663 12.278 -0.504 1.00 15.00 H new ATOM 0 HB2 SER A 25 -5.105 12.110 -1.540 1.00 15.00 H new ATOM 0 HB3 SER A 25 -5.492 12.162 0.169 1.00 15.00 H new ATOM 0 HG SER A 25 -5.188 10.007 0.352 1.00 15.00 H new ATOM 371 N GLY A 26 -8.034 10.904 -3.248 1.00 15.00 N ATOM 372 CA GLY A 26 -8.317 11.089 -4.660 1.00 15.00 C ATOM 373 C GLY A 26 -7.095 10.897 -5.532 1.00 15.00 C ATOM 374 O GLY A 26 -7.020 11.445 -6.632 1.00 15.00 O ATOM 0 H GLY A 26 -8.390 10.035 -2.851 1.00 15.00 H new ATOM 0 HA2 GLY A 26 -9.091 10.385 -4.966 1.00 15.00 H new ATOM 0 HA3 GLY A 26 -8.717 12.091 -4.818 1.00 15.00 H new ATOM 378 N LEU A 27 -6.137 10.121 -5.044 1.00 15.00 N ATOM 379 CA LEU A 27 -4.911 9.865 -5.790 1.00 15.00 C ATOM 380 C LEU A 27 -5.054 8.597 -6.624 1.00 15.00 C ATOM 381 O LEU A 27 -5.889 7.741 -6.325 1.00 15.00 O ATOM 382 CB LEU A 27 -3.721 9.730 -4.837 1.00 15.00 C ATOM 383 CG LEU A 27 -3.456 10.944 -3.943 1.00 15.00 C ATOM 384 CD1 LEU A 27 -2.380 10.629 -2.917 1.00 15.00 C ATOM 385 CD2 LEU A 27 -3.053 12.148 -4.780 1.00 15.00 C ATOM 0 H LEU A 27 -6.184 9.658 -4.136 1.00 15.00 H new ATOM 0 HA LEU A 27 -4.733 10.709 -6.456 1.00 15.00 H new ATOM 0 HB2 LEU A 27 -3.883 8.860 -4.201 1.00 15.00 H new ATOM 0 HB3 LEU A 27 -2.826 9.531 -5.426 1.00 15.00 H new ATOM 0 HG LEU A 27 -4.378 11.184 -3.414 1.00 15.00 H new ATOM 0 HD11 LEU A 27 -2.206 11.505 -2.291 1.00 15.00 H new ATOM 0 HD12 LEU A 27 -2.705 9.796 -2.293 1.00 15.00 H new ATOM 0 HD13 LEU A 27 -1.456 10.360 -3.429 1.00 15.00 H new ATOM 0 HD21 LEU A 27 -2.869 13.001 -4.126 1.00 15.00 H new ATOM 0 HD22 LEU A 27 -2.146 11.916 -5.338 1.00 15.00 H new ATOM 0 HD23 LEU A 27 -3.855 12.392 -5.477 1.00 15.00 H new ATOM 397 N GLU A 28 -4.239 8.480 -7.665 1.00 15.00 N ATOM 398 CA GLU A 28 -4.281 7.320 -8.549 1.00 15.00 C ATOM 399 C GLU A 28 -3.515 6.139 -7.963 1.00 15.00 C ATOM 400 O GLU A 28 -2.372 6.278 -7.521 1.00 15.00 O ATOM 401 CB GLU A 28 -3.707 7.672 -9.919 1.00 15.00 C ATOM 402 CG GLU A 28 -4.558 8.657 -10.698 1.00 15.00 C ATOM 403 CD GLU A 28 -3.973 9.002 -12.051 1.00 15.00 C ATOM 404 OE1 GLU A 28 -3.467 10.134 -12.214 1.00 15.00 O ATOM 405 OE2 GLU A 28 -4.027 8.147 -12.963 1.00 15.00 O1- ATOM 0 H GLU A 28 -3.538 9.176 -7.919 1.00 15.00 H new ATOM 0 HA GLU A 28 -5.326 7.031 -8.656 1.00 15.00 H new ATOM 0 HB2 GLU A 28 -2.709 8.090 -9.789 1.00 15.00 H new ATOM 0 HB3 GLU A 28 -3.596 6.758 -10.503 1.00 15.00 H new ATOM 0 HG2 GLU A 28 -5.555 8.238 -10.835 1.00 15.00 H new ATOM 0 HG3 GLU A 28 -4.673 9.570 -10.114 1.00 15.00 H new ATOM 412 N CYS A 29 -4.157 4.977 -7.977 1.00 15.00 N ATOM 413 CA CYS A 29 -3.561 3.753 -7.461 1.00 15.00 C ATOM 414 C CYS A 29 -2.647 3.108 -8.507 1.00 15.00 C ATOM 415 O CYS A 29 -2.934 3.137 -9.709 1.00 15.00 O ATOM 416 CB CYS A 29 -4.669 2.775 -7.045 1.00 15.00 C ATOM 417 SG CYS A 29 -4.106 1.100 -6.661 1.00 15.00 S ATOM 0 H CYS A 29 -5.101 4.858 -8.345 1.00 15.00 H new ATOM 0 HA CYS A 29 -2.954 4.000 -6.590 1.00 15.00 H new ATOM 0 HB2 CYS A 29 -5.180 3.179 -6.171 1.00 15.00 H new ATOM 0 HB3 CYS A 29 -5.404 2.720 -7.848 1.00 15.00 H new ATOM 0 HG CYS A 29 -4.809 0.240 -7.337 1.00 15.00 H new ATOM 423 N GLN A 30 -1.537 2.551 -8.041 1.00 15.00 N ATOM 424 CA GLN A 30 -0.576 1.888 -8.907 1.00 15.00 C ATOM 425 C GLN A 30 -0.867 0.392 -8.960 1.00 15.00 C ATOM 426 O GLN A 30 -1.362 -0.181 -7.990 1.00 15.00 O ATOM 427 CB GLN A 30 0.846 2.118 -8.386 1.00 15.00 C ATOM 428 CG GLN A 30 1.928 1.535 -9.284 1.00 15.00 C ATOM 429 CD GLN A 30 3.165 1.118 -8.516 1.00 15.00 C ATOM 430 OE1 GLN A 30 4.091 1.906 -8.330 1.00 15.00 O ATOM 431 NE2 GLN A 30 3.192 -0.129 -8.076 1.00 15.00 N ATOM 0 H GLN A 30 -1.279 2.547 -7.054 1.00 15.00 H new ATOM 0 HA GLN A 30 -0.661 2.305 -9.910 1.00 15.00 H new ATOM 0 HB2 GLN A 30 1.015 3.189 -8.277 1.00 15.00 H new ATOM 0 HB3 GLN A 30 0.935 1.679 -7.392 1.00 15.00 H new ATOM 0 HG2 GLN A 30 1.527 0.672 -9.815 1.00 15.00 H new ATOM 0 HG3 GLN A 30 2.205 2.272 -10.038 1.00 15.00 H new ATOM 0 HE21 GLN A 30 2.402 -0.749 -8.253 1.00 15.00 H new ATOM 0 HE22 GLN A 30 4.003 -0.470 -7.560 1.00 15.00 H new ATOM 440 N ALA A 31 -0.570 -0.238 -10.090 1.00 15.00 N ATOM 441 CA ALA A 31 -0.797 -1.667 -10.238 1.00 15.00 C ATOM 442 C ALA A 31 0.139 -2.449 -9.325 1.00 15.00 C ATOM 443 O ALA A 31 1.293 -2.055 -9.122 1.00 15.00 O ATOM 444 CB ALA A 31 -0.622 -2.093 -11.686 1.00 15.00 C ATOM 0 H ALA A 31 -0.173 0.217 -10.912 1.00 15.00 H new ATOM 0 HA ALA A 31 -1.824 -1.886 -9.946 1.00 15.00 H new ATOM 0 HB1 ALA A 31 -0.796 -3.165 -11.773 1.00 15.00 H new ATOM 0 HB2 ALA A 31 -1.336 -1.557 -12.312 1.00 15.00 H new ATOM 0 HB3 ALA A 31 0.392 -1.863 -12.013 1.00 15.00 H new ATOM 450 N TRP A 32 -0.356 -3.552 -8.787 1.00 15.00 N ATOM 451 CA TRP A 32 0.422 -4.382 -7.873 1.00 15.00 C ATOM 452 C TRP A 32 1.592 -5.058 -8.591 1.00 15.00 C ATOM 453 O TRP A 32 2.610 -5.376 -7.976 1.00 15.00 O ATOM 454 CB TRP A 32 -0.486 -5.433 -7.221 1.00 15.00 C ATOM 455 CG TRP A 32 -1.709 -4.846 -6.574 1.00 15.00 C ATOM 456 CD1 TRP A 32 -2.945 -4.693 -7.137 1.00 15.00 C ATOM 457 CD2 TRP A 32 -1.807 -4.328 -5.241 1.00 15.00 C ATOM 458 NE1 TRP A 32 -3.806 -4.114 -6.234 1.00 15.00 N ATOM 459 CE2 TRP A 32 -3.131 -3.882 -5.064 1.00 15.00 C ATOM 460 CE3 TRP A 32 -0.905 -4.203 -4.177 1.00 15.00 C ATOM 461 CZ2 TRP A 32 -3.574 -3.317 -3.872 1.00 15.00 C ATOM 462 CZ3 TRP A 32 -1.348 -3.642 -2.994 1.00 15.00 C ATOM 463 CH2 TRP A 32 -2.672 -3.206 -2.849 1.00 15.00 C ATOM 0 H TRP A 32 -1.299 -3.897 -8.967 1.00 15.00 H new ATOM 0 HA TRP A 32 0.838 -3.738 -7.099 1.00 15.00 H new ATOM 0 HB2 TRP A 32 -0.795 -6.155 -7.977 1.00 15.00 H new ATOM 0 HB3 TRP A 32 0.085 -5.981 -6.472 1.00 15.00 H new ATOM 0 HD1 TRP A 32 -3.207 -4.984 -8.143 1.00 15.00 H new ATOM 0 HE1 TRP A 32 -4.787 -3.893 -6.407 1.00 15.00 H new ATOM 0 HE3 TRP A 32 0.117 -4.538 -4.279 1.00 15.00 H new ATOM 0 HZ2 TRP A 32 -4.593 -2.978 -3.758 1.00 15.00 H new ATOM 0 HZ3 TRP A 32 -0.662 -3.538 -2.167 1.00 15.00 H new ATOM 0 HH2 TRP A 32 -2.987 -2.774 -1.911 1.00 15.00 H new ATOM 474 N ASP A 33 1.450 -5.269 -9.891 1.00 15.00 N ATOM 475 CA ASP A 33 2.500 -5.906 -10.675 1.00 15.00 C ATOM 476 C ASP A 33 3.278 -4.881 -11.507 1.00 15.00 C ATOM 477 O ASP A 33 4.064 -5.250 -12.381 1.00 15.00 O ATOM 478 CB ASP A 33 1.909 -6.988 -11.582 1.00 15.00 C ATOM 479 CG ASP A 33 1.232 -6.417 -12.811 1.00 15.00 C ATOM 480 OD1 ASP A 33 1.769 -6.596 -13.921 1.00 15.00 O ATOM 481 OD2 ASP A 33 0.158 -5.793 -12.671 1.00 15.00 O1- ATOM 0 H ASP A 33 0.621 -5.010 -10.425 1.00 15.00 H new ATOM 0 HA ASP A 33 3.198 -6.371 -9.979 1.00 15.00 H new ATOM 0 HB2 ASP A 33 2.702 -7.669 -11.892 1.00 15.00 H new ATOM 0 HB3 ASP A 33 1.187 -7.577 -11.015 1.00 15.00 H new ATOM 486 N SER A 34 3.070 -3.600 -11.224 1.00 15.00 N ATOM 487 CA SER A 34 3.760 -2.543 -11.955 1.00 15.00 C ATOM 488 C SER A 34 5.254 -2.558 -11.650 1.00 15.00 C ATOM 489 O SER A 34 5.676 -3.012 -10.587 1.00 15.00 O ATOM 490 CB SER A 34 3.176 -1.176 -11.609 1.00 15.00 C ATOM 491 OG SER A 34 2.066 -0.872 -12.437 1.00 15.00 O ATOM 0 H SER A 34 2.434 -3.269 -10.499 1.00 15.00 H new ATOM 0 HA SER A 34 3.618 -2.728 -13.020 1.00 15.00 H new ATOM 0 HB2 SER A 34 2.868 -1.162 -10.563 1.00 15.00 H new ATOM 0 HB3 SER A 34 3.942 -0.409 -11.726 1.00 15.00 H new ATOM 0 HG SER A 34 1.708 0.008 -12.195 1.00 15.00 H new ATOM 497 N GLN A 35 6.052 -2.060 -12.585 1.00 15.00 N ATOM 498 CA GLN A 35 7.494 -2.035 -12.403 1.00 15.00 C ATOM 499 C GLN A 35 7.992 -0.626 -12.071 1.00 15.00 C ATOM 500 O GLN A 35 9.173 -0.320 -12.244 1.00 15.00 O ATOM 501 CB GLN A 35 8.202 -2.587 -13.643 1.00 15.00 C ATOM 502 CG GLN A 35 9.648 -3.002 -13.389 1.00 15.00 C ATOM 503 CD GLN A 35 9.785 -3.995 -12.250 1.00 15.00 C ATOM 504 OE1 GLN A 35 9.984 -3.615 -11.093 1.00 15.00 O ATOM 505 NE2 GLN A 35 9.676 -5.273 -12.567 1.00 15.00 N ATOM 0 H GLN A 35 5.727 -1.671 -13.470 1.00 15.00 H new ATOM 0 HA GLN A 35 7.735 -2.676 -11.555 1.00 15.00 H new ATOM 0 HB2 GLN A 35 7.646 -3.448 -14.015 1.00 15.00 H new ATOM 0 HB3 GLN A 35 8.183 -1.831 -14.428 1.00 15.00 H new ATOM 0 HG2 GLN A 35 10.060 -3.440 -14.298 1.00 15.00 H new ATOM 0 HG3 GLN A 35 10.241 -2.115 -13.165 1.00 15.00 H new ATOM 0 HE21 GLN A 35 9.511 -5.546 -13.536 1.00 15.00 H new ATOM 0 HE22 GLN A 35 9.756 -5.987 -11.843 1.00 15.00 H new ATOM 514 N SER A 36 7.094 0.235 -11.607 1.00 15.00 N ATOM 515 CA SER A 36 7.484 1.577 -11.202 1.00 15.00 C ATOM 516 C SER A 36 8.356 1.419 -9.964 1.00 15.00 C ATOM 517 O SER A 36 8.099 0.521 -9.156 1.00 15.00 O ATOM 518 CB SER A 36 6.245 2.420 -10.891 1.00 15.00 C ATOM 519 OG SER A 36 5.058 1.720 -11.248 1.00 15.00 O ATOM 0 H SER A 36 6.100 0.029 -11.503 1.00 15.00 H new ATOM 0 HA SER A 36 8.027 2.089 -11.996 1.00 15.00 H new ATOM 0 HB2 SER A 36 6.223 2.665 -9.829 1.00 15.00 H new ATOM 0 HB3 SER A 36 6.295 3.363 -11.435 1.00 15.00 H new ATOM 0 HG SER A 36 4.277 2.274 -11.040 1.00 15.00 H new ATOM 525 N PRO A 37 9.398 2.238 -9.767 1.00 15.00 N ATOM 526 CA PRO A 37 10.255 2.030 -8.607 1.00 15.00 C ATOM 527 C PRO A 37 9.590 2.440 -7.301 1.00 15.00 C ATOM 528 O PRO A 37 9.509 3.620 -6.949 1.00 15.00 O ATOM 529 CB PRO A 37 11.447 2.943 -8.911 1.00 15.00 C ATOM 530 CG PRO A 37 10.905 4.015 -9.797 1.00 15.00 C ATOM 531 CD PRO A 37 9.804 3.381 -10.599 1.00 15.00 C ATOM 0 HA PRO A 37 10.512 0.980 -8.465 1.00 15.00 H new ATOM 0 HB2 PRO A 37 11.865 3.363 -7.996 1.00 15.00 H new ATOM 0 HB3 PRO A 37 12.248 2.393 -9.404 1.00 15.00 H new ATOM 0 HG2 PRO A 37 10.526 4.851 -9.209 1.00 15.00 H new ATOM 0 HG3 PRO A 37 11.683 4.411 -10.449 1.00 15.00 H new ATOM 0 HD2 PRO A 37 8.978 4.072 -10.765 1.00 15.00 H new ATOM 0 HD3 PRO A 37 10.154 3.061 -11.580 1.00 15.00 H new ATOM 539 N HIS A 38 9.108 1.430 -6.607 1.00 15.00 N ATOM 540 CA HIS A 38 8.492 1.576 -5.306 1.00 15.00 C ATOM 541 C HIS A 38 9.255 0.738 -4.295 1.00 15.00 C ATOM 542 O HIS A 38 10.007 -0.155 -4.689 1.00 15.00 O ATOM 543 CB HIS A 38 7.025 1.155 -5.356 1.00 15.00 C ATOM 544 CG HIS A 38 6.092 2.265 -4.997 1.00 15.00 C ATOM 545 ND1 HIS A 38 5.081 2.716 -5.815 1.00 15.00 N ATOM 546 CD2 HIS A 38 6.040 3.032 -3.880 1.00 15.00 C ATOM 547 CE1 HIS A 38 4.464 3.721 -5.186 1.00 15.00 C ATOM 548 NE2 HIS A 38 5.009 3.952 -4.009 1.00 15.00 N ATOM 0 H HIS A 38 9.134 0.466 -6.939 1.00 15.00 H new ATOM 0 HA HIS A 38 8.529 2.623 -5.006 1.00 15.00 H new ATOM 0 HB2 HIS A 38 6.788 0.797 -6.358 1.00 15.00 H new ATOM 0 HB3 HIS A 38 6.868 0.319 -4.674 1.00 15.00 H new ATOM 0 HD1 HIS A 38 4.845 2.349 -6.737 1.00 15.00 H new ATOM 0 HD2 HIS A 38 6.696 2.941 -3.027 1.00 15.00 H new ATOM 0 HE1 HIS A 38 3.628 4.272 -5.590 1.00 15.00 H new ATOM 556 N ALA A 39 9.080 0.997 -3.015 1.00 15.00 N ATOM 557 CA ALA A 39 9.708 0.156 -2.016 1.00 15.00 C ATOM 558 C ALA A 39 8.623 -0.731 -1.424 1.00 15.00 C ATOM 559 O ALA A 39 7.745 -0.242 -0.706 1.00 15.00 O ATOM 560 CB ALA A 39 10.370 0.999 -0.939 1.00 15.00 C ATOM 0 H ALA A 39 8.520 1.766 -2.647 1.00 15.00 H new ATOM 0 HA ALA A 39 10.492 -0.453 -2.466 1.00 15.00 H new ATOM 0 HB1 ALA A 39 10.835 0.346 -0.200 1.00 15.00 H new ATOM 0 HB2 ALA A 39 11.131 1.635 -1.391 1.00 15.00 H new ATOM 0 HB3 ALA A 39 9.620 1.622 -0.452 1.00 15.00 H new ATOM 566 N HIS A 40 8.683 -2.027 -1.719 1.00 15.00 N ATOM 567 CA HIS A 40 7.677 -2.964 -1.232 1.00 15.00 C ATOM 568 C HIS A 40 8.066 -4.407 -1.537 1.00 15.00 C ATOM 569 O HIS A 40 9.062 -4.670 -2.211 1.00 15.00 O ATOM 570 CB HIS A 40 6.302 -2.650 -1.855 1.00 15.00 C ATOM 571 CG HIS A 40 6.175 -2.972 -3.319 1.00 15.00 C ATOM 572 ND1 HIS A 40 6.901 -2.300 -4.275 1.00 15.00 N ATOM 573 CD2 HIS A 40 5.388 -3.891 -3.930 1.00 15.00 C ATOM 574 CE1 HIS A 40 6.539 -2.819 -5.436 1.00 15.00 C ATOM 575 NE2 HIS A 40 5.625 -3.782 -5.274 1.00 15.00 N ATOM 0 H HIS A 40 9.414 -2.450 -2.290 1.00 15.00 H new ATOM 0 HA HIS A 40 7.616 -2.849 -0.150 1.00 15.00 H new ATOM 0 HB2 HIS A 40 5.538 -3.205 -1.310 1.00 15.00 H new ATOM 0 HB3 HIS A 40 6.089 -1.590 -1.712 1.00 15.00 H new ATOM 0 HD2 HIS A 40 4.706 -4.577 -3.449 1.00 15.00 H new ATOM 0 HE1 HIS A 40 6.931 -2.506 -6.392 1.00 15.00 H new ATOM 0 HE2 HIS A 40 5.187 -4.332 -6.013 1.00 15.00 H new ATOM 583 N GLY A 41 7.265 -5.332 -1.027 1.00 15.00 N ATOM 584 CA GLY A 41 7.496 -6.746 -1.262 1.00 15.00 C ATOM 585 C GLY A 41 6.197 -7.471 -1.548 1.00 15.00 C ATOM 586 O GLY A 41 6.101 -8.690 -1.399 1.00 15.00 O ATOM 0 H GLY A 41 6.450 -5.127 -0.448 1.00 15.00 H new ATOM 0 HA2 GLY A 41 8.179 -6.871 -2.103 1.00 15.00 H new ATOM 0 HA3 GLY A 41 7.979 -7.188 -0.391 1.00 15.00 H new ATOM 590 N TYR A 42 5.195 -6.706 -1.969 1.00 15.00 N ATOM 591 CA TYR A 42 3.876 -7.245 -2.270 1.00 15.00 C ATOM 592 C TYR A 42 3.810 -7.743 -3.708 1.00 15.00 C ATOM 593 O TYR A 42 3.868 -6.955 -4.649 1.00 15.00 O ATOM 594 CB TYR A 42 2.790 -6.180 -2.051 1.00 15.00 C ATOM 595 CG TYR A 42 2.595 -5.757 -0.611 1.00 15.00 C ATOM 596 CD1 TYR A 42 3.574 -5.045 0.071 1.00 15.00 C ATOM 597 CD2 TYR A 42 1.417 -6.058 0.064 1.00 15.00 C ATOM 598 CE1 TYR A 42 3.386 -4.646 1.379 1.00 15.00 C ATOM 599 CE2 TYR A 42 1.226 -5.664 1.373 1.00 15.00 C ATOM 600 CZ TYR A 42 2.213 -4.958 2.025 1.00 15.00 C ATOM 601 OH TYR A 42 2.020 -4.553 3.323 1.00 15.00 O ATOM 0 H TYR A 42 5.275 -5.699 -2.110 1.00 15.00 H new ATOM 0 HA TYR A 42 3.699 -8.082 -1.594 1.00 15.00 H new ATOM 0 HB2 TYR A 42 3.040 -5.299 -2.643 1.00 15.00 H new ATOM 0 HB3 TYR A 42 1.844 -6.563 -2.434 1.00 15.00 H new ATOM 0 HD1 TYR A 42 4.498 -4.799 -0.431 1.00 15.00 H new ATOM 0 HD2 TYR A 42 0.639 -6.609 -0.444 1.00 15.00 H new ATOM 0 HE1 TYR A 42 4.157 -4.091 1.893 1.00 15.00 H new ATOM 0 HE2 TYR A 42 0.306 -5.908 1.884 1.00 15.00 H new ATOM 0 HH TYR A 42 1.060 -4.529 3.519 1.00 15.00 H new ATOM 611 N ILE A 43 3.704 -9.051 -3.867 1.00 15.00 N ATOM 612 CA ILE A 43 3.618 -9.662 -5.188 1.00 15.00 C ATOM 613 C ILE A 43 2.296 -10.417 -5.312 1.00 15.00 C ATOM 614 O ILE A 43 1.949 -11.192 -4.420 1.00 15.00 O ATOM 615 CB ILE A 43 4.796 -10.637 -5.440 1.00 15.00 C ATOM 616 CG1 ILE A 43 6.141 -9.930 -5.221 1.00 15.00 C ATOM 617 CG2 ILE A 43 4.730 -11.224 -6.846 1.00 15.00 C ATOM 618 CD1 ILE A 43 6.381 -8.770 -6.166 1.00 15.00 C ATOM 0 H ILE A 43 3.675 -9.716 -3.094 1.00 15.00 H new ATOM 0 HA ILE A 43 3.670 -8.869 -5.934 1.00 15.00 H new ATOM 0 HB ILE A 43 4.712 -11.455 -4.724 1.00 15.00 H new ATOM 0 HG12 ILE A 43 6.187 -9.566 -4.195 1.00 15.00 H new ATOM 0 HG13 ILE A 43 6.946 -10.655 -5.339 1.00 15.00 H new ATOM 0 HG21 ILE A 43 5.568 -11.904 -6.996 1.00 15.00 H new ATOM 0 HG22 ILE A 43 3.794 -11.769 -6.969 1.00 15.00 H new ATOM 0 HG23 ILE A 43 4.781 -10.419 -7.579 1.00 15.00 H new ATOM 0 HD11 ILE A 43 7.350 -8.320 -5.951 1.00 15.00 H new ATOM 0 HD12 ILE A 43 6.368 -9.130 -7.195 1.00 15.00 H new ATOM 0 HD13 ILE A 43 5.597 -8.024 -6.033 1.00 15.00 H new ATOM 630 N PRO A 44 1.534 -10.190 -6.399 1.00 15.00 N ATOM 631 CA PRO A 44 0.243 -10.862 -6.624 1.00 15.00 C ATOM 632 C PRO A 44 0.331 -12.385 -6.502 1.00 15.00 C ATOM 633 O PRO A 44 -0.595 -13.029 -6.012 1.00 15.00 O ATOM 634 CB PRO A 44 -0.120 -10.462 -8.056 1.00 15.00 C ATOM 635 CG PRO A 44 0.582 -9.173 -8.286 1.00 15.00 C ATOM 636 CD PRO A 44 1.855 -9.242 -7.488 1.00 15.00 C ATOM 0 HA PRO A 44 -0.496 -10.568 -5.879 1.00 15.00 H new ATOM 0 HB2 PRO A 44 0.202 -11.219 -8.771 1.00 15.00 H new ATOM 0 HB3 PRO A 44 -1.198 -10.351 -8.173 1.00 15.00 H new ATOM 0 HG2 PRO A 44 0.794 -9.028 -9.345 1.00 15.00 H new ATOM 0 HG3 PRO A 44 -0.033 -8.332 -7.966 1.00 15.00 H new ATOM 0 HD2 PRO A 44 2.689 -9.596 -8.094 1.00 15.00 H new ATOM 0 HD3 PRO A 44 2.137 -8.264 -7.098 1.00 15.00 H new ATOM 644 N SER A 45 1.457 -12.948 -6.928 1.00 15.00 N ATOM 645 CA SER A 45 1.675 -14.391 -6.876 1.00 15.00 C ATOM 646 C SER A 45 1.772 -14.900 -5.430 1.00 15.00 C ATOM 647 O SER A 45 1.606 -16.092 -5.167 1.00 15.00 O ATOM 648 CB SER A 45 2.957 -14.733 -7.638 1.00 15.00 C ATOM 649 OG SER A 45 3.186 -13.802 -8.688 1.00 15.00 O ATOM 0 H SER A 45 2.240 -12.422 -7.317 1.00 15.00 H new ATOM 0 HA SER A 45 0.820 -14.884 -7.340 1.00 15.00 H new ATOM 0 HB2 SER A 45 3.804 -14.730 -6.952 1.00 15.00 H new ATOM 0 HB3 SER A 45 2.883 -15.740 -8.049 1.00 15.00 H new ATOM 0 HG SER A 45 4.011 -14.038 -9.161 1.00 15.00 H new ATOM 655 N LYS A 46 2.038 -13.988 -4.497 1.00 15.00 N ATOM 656 CA LYS A 46 2.160 -14.341 -3.087 1.00 15.00 C ATOM 657 C LYS A 46 0.800 -14.322 -2.397 1.00 15.00 C ATOM 658 O LYS A 46 0.583 -15.017 -1.401 1.00 15.00 O ATOM 659 CB LYS A 46 3.105 -13.370 -2.379 1.00 15.00 C ATOM 660 CG LYS A 46 4.560 -13.499 -2.808 1.00 15.00 C ATOM 661 CD LYS A 46 5.390 -12.311 -2.342 1.00 15.00 C ATOM 662 CE LYS A 46 5.434 -12.207 -0.825 1.00 15.00 C ATOM 663 NZ LYS A 46 6.414 -11.188 -0.369 1.00 15.00 N1+ ATOM 0 H LYS A 46 2.173 -12.996 -4.695 1.00 15.00 H new ATOM 0 HA LYS A 46 2.566 -15.351 -3.029 1.00 15.00 H new ATOM 0 HB2 LYS A 46 2.770 -12.350 -2.568 1.00 15.00 H new ATOM 0 HB3 LYS A 46 3.038 -13.533 -1.303 1.00 15.00 H new ATOM 0 HG2 LYS A 46 4.980 -14.419 -2.401 1.00 15.00 H new ATOM 0 HG3 LYS A 46 4.614 -13.578 -3.894 1.00 15.00 H new ATOM 0 HD2 LYS A 46 6.405 -12.404 -2.729 1.00 15.00 H new ATOM 0 HD3 LYS A 46 4.974 -11.393 -2.756 1.00 15.00 H new ATOM 0 HE2 LYS A 46 4.443 -11.952 -0.450 1.00 15.00 H new ATOM 0 HE3 LYS A 46 5.695 -13.177 -0.402 1.00 15.00 H new ATOM 0 HZ1 LYS A 46 6.552 -11.274 0.658 1.00 15.00 H new ATOM 0 HZ2 LYS A 46 7.322 -11.338 -0.854 1.00 15.00 H new ATOM 0 HZ3 LYS A 46 6.055 -10.237 -0.591 1.00 15.00 H new ATOM 677 N PHE A 47 -0.116 -13.528 -2.933 1.00 15.00 N ATOM 678 CA PHE A 47 -1.451 -13.413 -2.360 1.00 15.00 C ATOM 679 C PHE A 47 -2.525 -13.726 -3.405 1.00 15.00 C ATOM 680 O PHE A 47 -3.275 -12.839 -3.818 1.00 15.00 O ATOM 681 CB PHE A 47 -1.669 -12.001 -1.795 1.00 15.00 C ATOM 682 CG PHE A 47 -0.609 -11.552 -0.825 1.00 15.00 C ATOM 683 CD1 PHE A 47 -0.663 -11.930 0.509 1.00 15.00 C ATOM 684 CD2 PHE A 47 0.438 -10.745 -1.244 1.00 15.00 C ATOM 685 CE1 PHE A 47 0.307 -11.513 1.403 1.00 15.00 C ATOM 686 CE2 PHE A 47 1.410 -10.328 -0.354 1.00 15.00 C ATOM 687 CZ PHE A 47 1.344 -10.711 0.971 1.00 15.00 C ATOM 0 H PHE A 47 0.040 -12.955 -3.762 1.00 15.00 H new ATOM 0 HA PHE A 47 -1.534 -14.139 -1.551 1.00 15.00 H new ATOM 0 HB2 PHE A 47 -1.711 -11.293 -2.623 1.00 15.00 H new ATOM 0 HB3 PHE A 47 -2.638 -11.967 -1.298 1.00 15.00 H new ATOM 0 HD1 PHE A 47 -1.472 -12.557 0.854 1.00 15.00 H new ATOM 0 HD2 PHE A 47 0.495 -10.439 -2.278 1.00 15.00 H new ATOM 0 HE1 PHE A 47 0.253 -11.815 2.439 1.00 15.00 H new ATOM 0 HE2 PHE A 47 2.221 -9.702 -0.695 1.00 15.00 H new ATOM 0 HZ PHE A 47 2.102 -10.384 1.668 1.00 15.00 H new ATOM 697 N PRO A 48 -2.627 -14.994 -3.841 1.00 15.00 N ATOM 698 CA PRO A 48 -3.612 -15.397 -4.849 1.00 15.00 C ATOM 699 C PRO A 48 -5.031 -15.429 -4.292 1.00 15.00 C ATOM 700 O PRO A 48 -5.996 -15.128 -4.997 1.00 15.00 O ATOM 701 CB PRO A 48 -3.158 -16.801 -5.243 1.00 15.00 C ATOM 702 CG PRO A 48 -2.428 -17.325 -4.055 1.00 15.00 C ATOM 703 CD PRO A 48 -1.797 -16.131 -3.394 1.00 15.00 C ATOM 0 HA PRO A 48 -3.653 -14.698 -5.684 1.00 15.00 H new ATOM 0 HB2 PRO A 48 -4.009 -17.434 -5.493 1.00 15.00 H new ATOM 0 HB3 PRO A 48 -2.513 -16.774 -6.121 1.00 15.00 H new ATOM 0 HG2 PRO A 48 -3.109 -17.834 -3.373 1.00 15.00 H new ATOM 0 HG3 PRO A 48 -1.671 -18.052 -4.352 1.00 15.00 H new ATOM 0 HD2 PRO A 48 -1.803 -16.227 -2.308 1.00 15.00 H new ATOM 0 HD3 PRO A 48 -0.757 -16.010 -3.698 1.00 15.00 H new ATOM 711 N ASN A 49 -5.153 -15.768 -3.015 1.00 15.00 N ATOM 712 CA ASN A 49 -6.454 -15.852 -2.363 1.00 15.00 C ATOM 713 C ASN A 49 -7.018 -14.467 -2.067 1.00 15.00 C ATOM 714 O ASN A 49 -8.180 -14.327 -1.695 1.00 15.00 O ATOM 715 CB ASN A 49 -6.366 -16.675 -1.073 1.00 15.00 C ATOM 716 CG ASN A 49 -5.552 -16.004 0.019 1.00 15.00 C ATOM 717 OD1 ASN A 49 -4.588 -15.283 -0.248 1.00 15.00 O ATOM 718 ND2 ASN A 49 -5.941 -16.236 1.261 1.00 15.00 N ATOM 0 H ASN A 49 -4.364 -15.990 -2.408 1.00 15.00 H new ATOM 0 HA ASN A 49 -7.133 -16.354 -3.052 1.00 15.00 H new ATOM 0 HB2 ASN A 49 -7.373 -16.862 -0.701 1.00 15.00 H new ATOM 0 HB3 ASN A 49 -5.925 -17.645 -1.300 1.00 15.00 H new ATOM 0 HD21 ASN A 49 -5.438 -15.812 2.041 1.00 15.00 H new ATOM 0 HD22 ASN A 49 -6.744 -16.839 1.440 1.00 15.00 H new ATOM 725 N LYS A 50 -6.189 -13.445 -2.232 1.00 15.00 N ATOM 726 CA LYS A 50 -6.621 -12.076 -1.996 1.00 15.00 C ATOM 727 C LYS A 50 -7.117 -11.463 -3.297 1.00 15.00 C ATOM 728 O LYS A 50 -7.603 -10.331 -3.319 1.00 15.00 O ATOM 729 CB LYS A 50 -5.479 -11.239 -1.413 1.00 15.00 C ATOM 730 CG LYS A 50 -4.930 -11.782 -0.103 1.00 15.00 C ATOM 731 CD LYS A 50 -6.029 -11.961 0.932 1.00 15.00 C ATOM 732 CE LYS A 50 -5.495 -12.593 2.206 1.00 15.00 C ATOM 733 NZ LYS A 50 -6.592 -13.014 3.110 1.00 15.00 N1+ ATOM 0 H LYS A 50 -5.217 -13.538 -2.527 1.00 15.00 H new ATOM 0 HA LYS A 50 -7.436 -12.086 -1.272 1.00 15.00 H new ATOM 0 HB2 LYS A 50 -4.670 -11.187 -2.142 1.00 15.00 H new ATOM 0 HB3 LYS A 50 -5.832 -10.220 -1.254 1.00 15.00 H new ATOM 0 HG2 LYS A 50 -4.439 -12.738 -0.282 1.00 15.00 H new ATOM 0 HG3 LYS A 50 -4.172 -11.102 0.284 1.00 15.00 H new ATOM 0 HD2 LYS A 50 -6.474 -10.993 1.163 1.00 15.00 H new ATOM 0 HD3 LYS A 50 -6.821 -12.585 0.519 1.00 15.00 H new ATOM 0 HE2 LYS A 50 -4.880 -13.457 1.954 1.00 15.00 H new ATOM 0 HE3 LYS A 50 -4.850 -11.882 2.723 1.00 15.00 H new ATOM 0 HZ1 LYS A 50 -6.195 -13.531 3.920 1.00 15.00 H new ATOM 0 HZ2 LYS A 50 -7.102 -12.174 3.451 1.00 15.00 H new ATOM 0 HZ3 LYS A 50 -7.250 -13.632 2.593 1.00 15.00 H new ATOM 747 N ASN A 51 -6.981 -12.237 -4.371 1.00 15.00 N ATOM 748 CA ASN A 51 -7.404 -11.829 -5.708 1.00 15.00 C ATOM 749 C ASN A 51 -6.761 -10.507 -6.111 1.00 15.00 C ATOM 750 O ASN A 51 -7.454 -9.534 -6.427 1.00 15.00 O ATOM 751 CB ASN A 51 -8.932 -11.731 -5.792 1.00 15.00 C ATOM 752 CG ASN A 51 -9.443 -11.940 -7.203 1.00 15.00 C ATOM 753 OD1 ASN A 51 -8.872 -12.714 -7.972 1.00 15.00 O ATOM 754 ND2 ASN A 51 -10.525 -11.267 -7.553 1.00 15.00 N ATOM 0 H ASN A 51 -6.572 -13.171 -4.338 1.00 15.00 H new ATOM 0 HA ASN A 51 -7.069 -12.594 -6.408 1.00 15.00 H new ATOM 0 HB2 ASN A 51 -9.379 -12.475 -5.132 1.00 15.00 H new ATOM 0 HB3 ASN A 51 -9.252 -10.753 -5.433 1.00 15.00 H new ATOM 0 HD21 ASN A 51 -10.915 -11.380 -8.489 1.00 15.00 H new ATOM 0 HD22 ASN A 51 -10.970 -10.635 -6.888 1.00 15.00 H new ATOM 761 N LEU A 52 -5.434 -10.471 -6.085 1.00 15.00 N ATOM 762 CA LEU A 52 -4.701 -9.273 -6.463 1.00 15.00 C ATOM 763 C LEU A 52 -4.532 -9.237 -7.976 1.00 15.00 C ATOM 764 O LEU A 52 -3.781 -10.031 -8.544 1.00 15.00 O ATOM 765 CB LEU A 52 -3.328 -9.251 -5.782 1.00 15.00 C ATOM 766 CG LEU A 52 -3.124 -8.135 -4.756 1.00 15.00 C ATOM 767 CD1 LEU A 52 -4.074 -8.305 -3.581 1.00 15.00 C ATOM 768 CD2 LEU A 52 -1.680 -8.113 -4.280 1.00 15.00 C ATOM 0 H LEU A 52 -4.846 -11.257 -5.806 1.00 15.00 H new ATOM 0 HA LEU A 52 -5.262 -8.396 -6.140 1.00 15.00 H new ATOM 0 HB2 LEU A 52 -3.171 -10.210 -5.287 1.00 15.00 H new ATOM 0 HB3 LEU A 52 -2.561 -9.159 -6.551 1.00 15.00 H new ATOM 0 HG LEU A 52 -3.345 -7.181 -5.235 1.00 15.00 H new ATOM 0 HD11 LEU A 52 -3.912 -7.501 -2.863 1.00 15.00 H new ATOM 0 HD12 LEU A 52 -5.103 -8.271 -3.938 1.00 15.00 H new ATOM 0 HD13 LEU A 52 -3.888 -9.265 -3.099 1.00 15.00 H new ATOM 0 HD21 LEU A 52 -1.550 -7.314 -3.550 1.00 15.00 H new ATOM 0 HD22 LEU A 52 -1.434 -9.069 -3.818 1.00 15.00 H new ATOM 0 HD23 LEU A 52 -1.019 -7.940 -5.130 1.00 15.00 H new ATOM 780 N LYS A 53 -5.231 -8.313 -8.625 1.00 15.00 N ATOM 781 CA LYS A 53 -5.174 -8.180 -10.076 1.00 15.00 C ATOM 782 C LYS A 53 -5.257 -6.714 -10.485 1.00 15.00 C ATOM 783 O LYS A 53 -5.876 -5.901 -9.787 1.00 15.00 O ATOM 784 CB LYS A 53 -6.324 -8.952 -10.741 1.00 15.00 C ATOM 785 CG LYS A 53 -6.353 -10.442 -10.424 1.00 15.00 C ATOM 786 CD LYS A 53 -5.243 -11.196 -11.140 1.00 15.00 C ATOM 787 CE LYS A 53 -4.960 -12.531 -10.467 1.00 15.00 C ATOM 788 NZ LYS A 53 -3.838 -13.258 -11.118 1.00 15.00 N1+ ATOM 0 H LYS A 53 -5.847 -7.642 -8.166 1.00 15.00 H new ATOM 0 HA LYS A 53 -4.223 -8.596 -10.408 1.00 15.00 H new ATOM 0 HB2 LYS A 53 -7.270 -8.509 -10.429 1.00 15.00 H new ATOM 0 HB3 LYS A 53 -6.253 -8.825 -11.821 1.00 15.00 H new ATOM 0 HG2 LYS A 53 -6.254 -10.586 -9.348 1.00 15.00 H new ATOM 0 HG3 LYS A 53 -7.319 -10.856 -10.714 1.00 15.00 H new ATOM 0 HD2 LYS A 53 -5.525 -11.363 -12.180 1.00 15.00 H new ATOM 0 HD3 LYS A 53 -4.336 -10.591 -11.149 1.00 15.00 H new ATOM 0 HE2 LYS A 53 -4.722 -12.364 -9.416 1.00 15.00 H new ATOM 0 HE3 LYS A 53 -5.857 -13.149 -10.496 1.00 15.00 H new ATOM 0 HZ1 LYS A 53 -3.679 -14.162 -10.628 1.00 15.00 H new ATOM 0 HZ2 LYS A 53 -4.074 -13.441 -12.114 1.00 15.00 H new ATOM 0 HZ3 LYS A 53 -2.975 -12.681 -11.068 1.00 15.00 H new ATOM 802 N LYS A 54 -4.636 -6.392 -11.622 1.00 15.00 N ATOM 803 CA LYS A 54 -4.631 -5.034 -12.166 1.00 15.00 C ATOM 804 C LYS A 54 -4.138 -4.023 -11.127 1.00 15.00 C ATOM 805 O LYS A 54 -3.083 -4.212 -10.514 1.00 15.00 O ATOM 806 CB LYS A 54 -6.034 -4.651 -12.666 1.00 15.00 C ATOM 807 CG LYS A 54 -6.666 -5.684 -13.589 1.00 15.00 C ATOM 808 CD LYS A 54 -5.960 -5.748 -14.937 1.00 15.00 C ATOM 809 CE LYS A 54 -6.499 -6.889 -15.792 1.00 15.00 C ATOM 810 NZ LYS A 54 -5.737 -7.053 -17.061 1.00 15.00 N1+ ATOM 0 H LYS A 54 -4.123 -7.066 -12.191 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.941 -5.012 -13.009 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -6.686 -4.500 -11.806 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.974 -3.698 -13.191 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -6.632 -6.665 -13.114 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -7.717 -5.440 -13.741 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -6.091 -4.803 -15.464 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -4.889 -5.881 -14.783 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -6.457 -7.818 -15.223 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -7.548 -6.703 -16.022 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.140 -7.840 -17.609 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -5.798 -6.177 -17.618 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -4.741 -7.257 -16.844 1.00 15.00 H new ATOM 824 N ASN A 55 -4.907 -2.956 -10.930 1.00 15.00 N ATOM 825 CA ASN A 55 -4.560 -1.911 -9.974 1.00 15.00 C ATOM 826 C ASN A 55 -5.743 -1.606 -9.061 1.00 15.00 C ATOM 827 O ASN A 55 -5.859 -0.505 -8.522 1.00 15.00 O ATOM 828 CB ASN A 55 -4.122 -0.636 -10.711 1.00 15.00 C ATOM 829 CG ASN A 55 -5.252 0.028 -11.485 1.00 15.00 C ATOM 830 OD1 ASN A 55 -6.149 -0.637 -12.001 1.00 15.00 O ATOM 831 ND2 ASN A 55 -5.209 1.350 -11.576 1.00 15.00 N ATOM 0 H ASN A 55 -5.783 -2.792 -11.426 1.00 15.00 H new ATOM 0 HA ASN A 55 -3.731 -2.268 -9.363 1.00 15.00 H new ATOM 0 HB2 ASN A 55 -3.720 0.074 -9.988 1.00 15.00 H new ATOM 0 HB3 ASN A 55 -3.314 -0.882 -11.400 1.00 15.00 H new ATOM 0 HD21 ASN A 55 -5.936 1.850 -12.088 1.00 15.00 H new ATOM 0 HD22 ASN A 55 -4.449 1.867 -11.134 1.00 15.00 H new ATOM 838 N TYR A 56 -6.610 -2.590 -8.878 1.00 15.00 N ATOM 839 CA TYR A 56 -7.783 -2.412 -8.033 1.00 15.00 C ATOM 840 C TYR A 56 -7.397 -2.442 -6.560 1.00 15.00 C ATOM 841 O TYR A 56 -6.592 -3.276 -6.139 1.00 15.00 O ATOM 842 CB TYR A 56 -8.824 -3.498 -8.318 1.00 15.00 C ATOM 843 CG TYR A 56 -9.360 -3.487 -9.732 1.00 15.00 C ATOM 844 CD1 TYR A 56 -9.287 -4.625 -10.527 1.00 15.00 C ATOM 845 CD2 TYR A 56 -9.940 -2.344 -10.273 1.00 15.00 C ATOM 846 CE1 TYR A 56 -9.777 -4.625 -11.819 1.00 15.00 C ATOM 847 CE2 TYR A 56 -10.431 -2.339 -11.567 1.00 15.00 C ATOM 848 CZ TYR A 56 -10.347 -3.481 -12.335 1.00 15.00 C ATOM 849 OH TYR A 56 -10.836 -3.481 -13.624 1.00 15.00 O ATOM 0 H TYR A 56 -6.526 -3.515 -9.300 1.00 15.00 H new ATOM 0 HA TYR A 56 -8.216 -1.439 -8.263 1.00 15.00 H new ATOM 0 HB2 TYR A 56 -8.380 -4.473 -8.117 1.00 15.00 H new ATOM 0 HB3 TYR A 56 -9.657 -3.378 -7.625 1.00 15.00 H new ATOM 0 HD1 TYR A 56 -8.840 -5.524 -10.128 1.00 15.00 H new ATOM 0 HD2 TYR A 56 -10.008 -1.448 -9.675 1.00 15.00 H new ATOM 0 HE1 TYR A 56 -9.714 -5.518 -12.423 1.00 15.00 H new ATOM 0 HE2 TYR A 56 -10.878 -1.444 -11.974 1.00 15.00 H new ATOM 0 HH TYR A 56 -11.206 -2.598 -13.834 1.00 15.00 H new ATOM 859 N CYS A 57 -7.965 -1.528 -5.788 1.00 15.00 N ATOM 860 CA CYS A 57 -7.695 -1.455 -4.362 1.00 15.00 C ATOM 861 C CYS A 57 -8.348 -2.626 -3.641 1.00 15.00 C ATOM 862 O CYS A 57 -9.406 -3.108 -4.057 1.00 15.00 O ATOM 863 CB CYS A 57 -8.215 -0.133 -3.792 1.00 15.00 C ATOM 864 SG CYS A 57 -7.891 0.106 -2.028 1.00 15.00 S ATOM 0 H CYS A 57 -8.619 -0.823 -6.128 1.00 15.00 H new ATOM 0 HA CYS A 57 -6.617 -1.505 -4.209 1.00 15.00 H new ATOM 0 HB2 CYS A 57 -7.762 0.689 -4.346 1.00 15.00 H new ATOM 0 HB3 CYS A 57 -9.290 -0.077 -3.961 1.00 15.00 H new ATOM 0 HG CYS A 57 -6.761 -0.455 -1.714 1.00 15.00 H new ATOM 870 N ARG A 58 -7.695 -3.100 -2.584 1.00 15.00 N ATOM 871 CA ARG A 58 -8.204 -4.211 -1.780 1.00 15.00 C ATOM 872 C ARG A 58 -7.481 -4.249 -0.444 1.00 15.00 C ATOM 873 O ARG A 58 -6.605 -3.422 -0.186 1.00 15.00 O ATOM 874 CB ARG A 58 -8.060 -5.566 -2.502 1.00 15.00 C ATOM 875 CG ARG A 58 -7.031 -5.586 -3.619 1.00 15.00 C ATOM 876 CD ARG A 58 -7.581 -6.289 -4.851 1.00 15.00 C ATOM 877 NE ARG A 58 -8.868 -5.731 -5.274 1.00 15.00 N ATOM 878 CZ ARG A 58 -9.802 -6.415 -5.940 1.00 15.00 C ATOM 879 NH1 ARG A 58 -9.599 -7.689 -6.270 1.00 15.00 N1+ ATOM 880 NH2 ARG A 58 -10.935 -5.821 -6.294 1.00 15.00 N ATOM 0 H ARG A 58 -6.802 -2.728 -2.260 1.00 15.00 H new ATOM 0 HA ARG A 58 -9.269 -4.044 -1.619 1.00 15.00 H new ATOM 0 HB2 ARG A 58 -7.794 -6.326 -1.768 1.00 15.00 H new ATOM 0 HB3 ARG A 58 -9.029 -5.847 -2.915 1.00 15.00 H new ATOM 0 HG2 ARG A 58 -6.746 -4.565 -3.875 1.00 15.00 H new ATOM 0 HG3 ARG A 58 -6.128 -6.093 -3.278 1.00 15.00 H new ATOM 0 HD2 ARG A 58 -6.864 -6.204 -5.667 1.00 15.00 H new ATOM 0 HD3 ARG A 58 -7.699 -7.352 -4.639 1.00 15.00 H new ATOM 0 HE ARG A 58 -9.063 -4.756 -5.045 1.00 15.00 H new ATOM 0 HH11 ARG A 58 -8.725 -8.149 -6.014 1.00 15.00 H new ATOM 0 HH12 ARG A 58 -10.317 -8.205 -6.779 1.00 15.00 H new ATOM 0 HH21 ARG A 58 -11.093 -4.841 -6.057 1.00 15.00 H new ATOM 0 HH22 ARG A 58 -11.648 -6.344 -6.803 1.00 15.00 H new ATOM 894 N ASN A 59 -7.846 -5.200 0.399 1.00 15.00 N ATOM 895 CA ASN A 59 -7.232 -5.328 1.713 1.00 15.00 C ATOM 896 C ASN A 59 -6.552 -6.688 1.864 1.00 15.00 C ATOM 897 O ASN A 59 -7.161 -7.645 2.341 1.00 15.00 O ATOM 898 CB ASN A 59 -8.283 -5.138 2.812 1.00 15.00 C ATOM 899 CG ASN A 59 -7.673 -4.936 4.187 1.00 15.00 C ATOM 900 OD1 ASN A 59 -6.568 -5.400 4.470 1.00 15.00 O ATOM 901 ND2 ASN A 59 -8.402 -4.254 5.059 1.00 15.00 N ATOM 0 H ASN A 59 -8.564 -5.896 0.198 1.00 15.00 H new ATOM 0 HA ASN A 59 -6.473 -4.552 1.812 1.00 15.00 H new ATOM 0 HB2 ASN A 59 -8.906 -4.278 2.567 1.00 15.00 H new ATOM 0 HB3 ASN A 59 -8.938 -6.009 2.835 1.00 15.00 H new ATOM 0 HD21 ASN A 59 -8.052 -4.097 6.004 1.00 15.00 H new ATOM 0 HD22 ASN A 59 -9.313 -3.886 4.785 1.00 15.00 H new ATOM 908 N PRO A 60 -5.285 -6.799 1.437 1.00 15.00 N ATOM 909 CA PRO A 60 -4.522 -8.036 1.539 1.00 15.00 C ATOM 910 C PRO A 60 -3.703 -8.099 2.825 1.00 15.00 C ATOM 911 O PRO A 60 -2.972 -9.063 3.071 1.00 15.00 O ATOM 912 CB PRO A 60 -3.601 -7.941 0.323 1.00 15.00 C ATOM 913 CG PRO A 60 -3.361 -6.478 0.116 1.00 15.00 C ATOM 914 CD PRO A 60 -4.490 -5.733 0.797 1.00 15.00 C ATOM 0 HA PRO A 60 -5.152 -8.926 1.562 1.00 15.00 H new ATOM 0 HB2 PRO A 60 -2.665 -8.471 0.497 1.00 15.00 H new ATOM 0 HB3 PRO A 60 -4.063 -8.391 -0.556 1.00 15.00 H new ATOM 0 HG2 PRO A 60 -2.399 -6.184 0.536 1.00 15.00 H new ATOM 0 HG3 PRO A 60 -3.331 -6.241 -0.947 1.00 15.00 H new ATOM 0 HD2 PRO A 60 -4.113 -5.021 1.531 1.00 15.00 H new ATOM 0 HD3 PRO A 60 -5.085 -5.167 0.080 1.00 15.00 H new ATOM 922 N ASP A 61 -3.847 -7.069 3.650 1.00 15.00 N ATOM 923 CA ASP A 61 -3.110 -6.974 4.898 1.00 15.00 C ATOM 924 C ASP A 61 -3.999 -7.264 6.094 1.00 15.00 C ATOM 925 O ASP A 61 -3.510 -7.377 7.212 1.00 15.00 O ATOM 926 CB ASP A 61 -2.504 -5.575 5.045 1.00 15.00 C ATOM 927 CG ASP A 61 -1.145 -5.453 4.385 1.00 15.00 C ATOM 928 OD1 ASP A 61 -0.473 -4.423 4.601 1.00 15.00 O ATOM 929 OD2 ASP A 61 -0.742 -6.383 3.661 1.00 15.00 O1- ATOM 0 H ASP A 61 -4.473 -6.284 3.473 1.00 15.00 H new ATOM 0 HA ASP A 61 -2.317 -7.721 4.870 1.00 15.00 H new ATOM 0 HB2 ASP A 61 -3.182 -4.842 4.608 1.00 15.00 H new ATOM 0 HB3 ASP A 61 -2.412 -5.333 6.104 1.00 15.00 H new ATOM 934 N ARG A 62 -5.303 -7.380 5.854 1.00 15.00 N ATOM 935 CA ARG A 62 -6.275 -7.637 6.919 1.00 15.00 C ATOM 936 C ARG A 62 -6.239 -6.500 7.940 1.00 15.00 C ATOM 937 O ARG A 62 -6.490 -6.703 9.130 1.00 15.00 O ATOM 938 CB ARG A 62 -6.001 -8.983 7.612 1.00 15.00 C ATOM 939 CG ARG A 62 -6.213 -10.191 6.713 1.00 15.00 C ATOM 940 CD ARG A 62 -6.231 -11.488 7.509 1.00 15.00 C ATOM 941 NE ARG A 62 -4.908 -11.854 8.012 1.00 15.00 N ATOM 942 CZ ARG A 62 -4.702 -12.550 9.132 1.00 15.00 C ATOM 943 NH1 ARG A 62 -5.733 -12.954 9.868 1.00 15.00 N1+ ATOM 944 NH2 ARG A 62 -3.466 -12.856 9.514 1.00 15.00 N ATOM 0 H ARG A 62 -5.715 -7.300 4.924 1.00 15.00 H new ATOM 0 HA ARG A 62 -7.267 -7.688 6.470 1.00 15.00 H new ATOM 0 HB2 ARG A 62 -4.974 -8.990 7.978 1.00 15.00 H new ATOM 0 HB3 ARG A 62 -6.651 -9.071 8.483 1.00 15.00 H new ATOM 0 HG2 ARG A 62 -7.154 -10.082 6.173 1.00 15.00 H new ATOM 0 HG3 ARG A 62 -5.420 -10.233 5.967 1.00 15.00 H new ATOM 0 HD2 ARG A 62 -6.920 -11.386 8.348 1.00 15.00 H new ATOM 0 HD3 ARG A 62 -6.612 -12.292 6.879 1.00 15.00 H new ATOM 0 HE ARG A 62 -4.093 -11.560 7.474 1.00 15.00 H new ATOM 0 HH11 ARG A 62 -6.685 -12.732 9.577 1.00 15.00 H new ATOM 0 HH12 ARG A 62 -5.572 -13.486 10.723 1.00 15.00 H new ATOM 0 HH21 ARG A 62 -2.670 -12.559 8.950 1.00 15.00 H new ATOM 0 HH22 ARG A 62 -3.314 -13.388 10.371 1.00 15.00 H new ATOM 958 N ASP A 63 -5.933 -5.303 7.454 1.00 15.00 N ATOM 959 CA ASP A 63 -5.833 -4.118 8.298 1.00 15.00 C ATOM 960 C ASP A 63 -7.199 -3.454 8.478 1.00 15.00 C ATOM 961 O ASP A 63 -8.226 -4.007 8.081 1.00 15.00 O ATOM 962 CB ASP A 63 -4.820 -3.124 7.716 1.00 15.00 C ATOM 963 CG ASP A 63 -5.418 -2.255 6.632 1.00 15.00 C ATOM 964 OD1 ASP A 63 -5.819 -1.112 6.945 1.00 15.00 O ATOM 965 OD2 ASP A 63 -5.498 -2.724 5.483 1.00 15.00 O1- ATOM 0 H ASP A 63 -5.748 -5.126 6.467 1.00 15.00 H new ATOM 0 HA ASP A 63 -5.481 -4.433 9.280 1.00 15.00 H new ATOM 0 HB2 ASP A 63 -4.438 -2.490 8.516 1.00 15.00 H new ATOM 0 HB3 ASP A 63 -3.970 -3.672 7.310 1.00 15.00 H new ATOM 970 N LEU A 64 -7.186 -2.273 9.091 1.00 15.00 N ATOM 971 CA LEU A 64 -8.393 -1.503 9.374 1.00 15.00 C ATOM 972 C LEU A 64 -9.281 -1.314 8.141 1.00 15.00 C ATOM 973 O LEU A 64 -10.503 -1.429 8.248 1.00 15.00 O ATOM 974 CB LEU A 64 -8.019 -0.134 9.945 1.00 15.00 C ATOM 975 CG LEU A 64 -7.463 -0.147 11.373 1.00 15.00 C ATOM 976 CD1 LEU A 64 -5.949 -0.271 11.362 1.00 15.00 C ATOM 977 CD2 LEU A 64 -7.890 1.105 12.119 1.00 15.00 C ATOM 0 H LEU A 64 -6.329 -1.820 9.408 1.00 15.00 H new ATOM 0 HA LEU A 64 -8.966 -2.075 10.104 1.00 15.00 H new ATOM 0 HB2 LEU A 64 -7.279 0.324 9.289 1.00 15.00 H new ATOM 0 HB3 LEU A 64 -8.903 0.504 9.923 1.00 15.00 H new ATOM 0 HG LEU A 64 -7.871 -1.015 11.891 1.00 15.00 H new ATOM 0 HD11 LEU A 64 -5.577 -0.278 12.387 1.00 15.00 H new ATOM 0 HD12 LEU A 64 -5.664 -1.199 10.866 1.00 15.00 H new ATOM 0 HD13 LEU A 64 -5.519 0.575 10.826 1.00 15.00 H new ATOM 0 HD21 LEU A 64 -7.487 1.080 13.131 1.00 15.00 H new ATOM 0 HD22 LEU A 64 -7.512 1.985 11.599 1.00 15.00 H new ATOM 0 HD23 LEU A 64 -8.978 1.149 12.163 1.00 15.00 H new ATOM 989 N ARG A 65 -8.686 -1.022 6.987 1.00 15.00 N ATOM 990 CA ARG A 65 -9.467 -0.821 5.767 1.00 15.00 C ATOM 991 C ARG A 65 -8.580 -0.901 4.527 1.00 15.00 C ATOM 992 O ARG A 65 -7.391 -0.619 4.600 1.00 15.00 O ATOM 993 CB ARG A 65 -10.194 0.527 5.801 1.00 15.00 C ATOM 994 CG ARG A 65 -9.289 1.712 6.080 1.00 15.00 C ATOM 995 CD ARG A 65 -10.034 3.019 5.895 1.00 15.00 C ATOM 996 NE ARG A 65 -9.424 4.112 6.646 1.00 15.00 N ATOM 997 CZ ARG A 65 -9.967 5.320 6.766 1.00 15.00 C ATOM 998 NH1 ARG A 65 -11.129 5.589 6.186 1.00 15.00 N1+ ATOM 999 NH2 ARG A 65 -9.352 6.253 7.473 1.00 15.00 N ATOM 0 H ARG A 65 -7.678 -0.920 6.870 1.00 15.00 H new ATOM 0 HA ARG A 65 -10.208 -1.619 5.716 1.00 15.00 H new ATOM 0 HB2 ARG A 65 -10.694 0.682 4.845 1.00 15.00 H new ATOM 0 HB3 ARG A 65 -10.971 0.489 6.564 1.00 15.00 H new ATOM 0 HG2 ARG A 65 -8.905 1.649 7.098 1.00 15.00 H new ATOM 0 HG3 ARG A 65 -8.428 1.682 5.412 1.00 15.00 H new ATOM 0 HD2 ARG A 65 -10.056 3.276 4.836 1.00 15.00 H new ATOM 0 HD3 ARG A 65 -11.069 2.894 6.214 1.00 15.00 H new ATOM 0 HE ARG A 65 -8.530 3.939 7.105 1.00 15.00 H new ATOM 0 HH11 ARG A 65 -11.608 4.868 5.646 1.00 15.00 H new ATOM 0 HH12 ARG A 65 -11.543 6.516 6.280 1.00 15.00 H new ATOM 0 HH21 ARG A 65 -8.462 6.046 7.926 1.00 15.00 H new ATOM 0 HH22 ARG A 65 -9.768 7.180 7.566 1.00 15.00 H new ATOM 1013 N PRO A 66 -9.166 -1.262 3.364 1.00 15.00 N ATOM 1014 CA PRO A 66 -8.423 -1.405 2.104 1.00 15.00 C ATOM 1015 C PRO A 66 -7.581 -0.185 1.746 1.00 15.00 C ATOM 1016 O PRO A 66 -8.034 0.962 1.837 1.00 15.00 O ATOM 1017 CB PRO A 66 -9.526 -1.608 1.062 1.00 15.00 C ATOM 1018 CG PRO A 66 -10.671 -2.170 1.821 1.00 15.00 C ATOM 1019 CD PRO A 66 -10.605 -1.542 3.183 1.00 15.00 C ATOM 0 HA PRO A 66 -7.704 -2.221 2.166 1.00 15.00 H new ATOM 0 HB2 PRO A 66 -9.794 -0.667 0.582 1.00 15.00 H new ATOM 0 HB3 PRO A 66 -9.204 -2.287 0.273 1.00 15.00 H new ATOM 0 HG2 PRO A 66 -11.617 -1.940 1.330 1.00 15.00 H new ATOM 0 HG3 PRO A 66 -10.602 -3.256 1.887 1.00 15.00 H new ATOM 0 HD2 PRO A 66 -11.201 -0.631 3.234 1.00 15.00 H new ATOM 0 HD3 PRO A 66 -10.983 -2.214 3.954 1.00 15.00 H new ATOM 1027 N TRP A 67 -6.357 -0.450 1.326 1.00 15.00 N ATOM 1028 CA TRP A 67 -5.429 0.592 0.933 1.00 15.00 C ATOM 1029 C TRP A 67 -4.821 0.245 -0.418 1.00 15.00 C ATOM 1030 O TRP A 67 -5.147 -0.795 -0.999 1.00 15.00 O ATOM 1031 CB TRP A 67 -4.334 0.769 1.996 1.00 15.00 C ATOM 1032 CG TRP A 67 -3.544 -0.477 2.273 1.00 15.00 C ATOM 1033 CD1 TRP A 67 -3.899 -1.511 3.093 1.00 15.00 C ATOM 1034 CD2 TRP A 67 -2.255 -0.812 1.740 1.00 15.00 C ATOM 1035 NE1 TRP A 67 -2.916 -2.469 3.095 1.00 15.00 N ATOM 1036 CE2 TRP A 67 -1.898 -2.062 2.275 1.00 15.00 C ATOM 1037 CE3 TRP A 67 -1.371 -0.178 0.863 1.00 15.00 C ATOM 1038 CZ2 TRP A 67 -0.696 -2.691 1.957 1.00 15.00 C ATOM 1039 CZ3 TRP A 67 -0.178 -0.804 0.550 1.00 15.00 C ATOM 1040 CH2 TRP A 67 0.149 -2.048 1.097 1.00 15.00 C ATOM 0 H TRP A 67 -5.979 -1.394 1.248 1.00 15.00 H new ATOM 0 HA TRP A 67 -5.965 1.537 0.848 1.00 15.00 H new ATOM 0 HB2 TRP A 67 -3.652 1.555 1.672 1.00 15.00 H new ATOM 0 HB3 TRP A 67 -4.794 1.109 2.924 1.00 15.00 H new ATOM 0 HD1 TRP A 67 -4.818 -1.566 3.657 1.00 15.00 H new ATOM 0 HE1 TRP A 67 -2.940 -3.342 3.622 1.00 15.00 H new ATOM 0 HE3 TRP A 67 -1.615 0.784 0.437 1.00 15.00 H new ATOM 0 HZ2 TRP A 67 -0.441 -3.653 2.376 1.00 15.00 H new ATOM 0 HZ3 TRP A 67 0.512 -0.324 -0.128 1.00 15.00 H new ATOM 0 HH2 TRP A 67 1.089 -2.511 0.834 1.00 15.00 H new ATOM 1051 N CYS A 68 -3.959 1.114 -0.923 1.00 15.00 N ATOM 1052 CA CYS A 68 -3.310 0.885 -2.207 1.00 15.00 C ATOM 1053 C CYS A 68 -2.113 1.812 -2.378 1.00 15.00 C ATOM 1054 O CYS A 68 -2.020 2.850 -1.717 1.00 15.00 O ATOM 1055 CB CYS A 68 -4.308 1.090 -3.349 1.00 15.00 C ATOM 1056 SG CYS A 68 -5.555 2.362 -3.029 1.00 15.00 S ATOM 0 H CYS A 68 -3.692 1.985 -0.464 1.00 15.00 H new ATOM 0 HA CYS A 68 -2.953 -0.145 -2.233 1.00 15.00 H new ATOM 0 HB2 CYS A 68 -3.759 1.355 -4.252 1.00 15.00 H new ATOM 0 HB3 CYS A 68 -4.813 0.145 -3.549 1.00 15.00 H new ATOM 0 HG CYS A 68 -6.680 1.796 -2.707 1.00 15.00 H new ATOM 1062 N PHE A 69 -1.191 1.424 -3.255 1.00 15.00 N ATOM 1063 CA PHE A 69 -0.002 2.224 -3.522 1.00 15.00 C ATOM 1064 C PHE A 69 -0.348 3.371 -4.462 1.00 15.00 C ATOM 1065 O PHE A 69 -1.141 3.203 -5.392 1.00 15.00 O ATOM 1066 CB PHE A 69 1.109 1.363 -4.128 1.00 15.00 C ATOM 1067 CG PHE A 69 1.771 0.439 -3.143 1.00 15.00 C ATOM 1068 CD1 PHE A 69 2.722 0.919 -2.258 1.00 15.00 C ATOM 1069 CD2 PHE A 69 1.448 -0.909 -3.106 1.00 15.00 C ATOM 1070 CE1 PHE A 69 3.339 0.074 -1.355 1.00 15.00 C ATOM 1071 CE2 PHE A 69 2.061 -1.760 -2.206 1.00 15.00 C ATOM 1072 CZ PHE A 69 3.009 -1.267 -1.329 1.00 15.00 C ATOM 0 H PHE A 69 -1.246 0.559 -3.793 1.00 15.00 H new ATOM 0 HA PHE A 69 0.359 2.631 -2.578 1.00 15.00 H new ATOM 0 HB2 PHE A 69 0.693 0.771 -4.943 1.00 15.00 H new ATOM 0 HB3 PHE A 69 1.865 2.017 -4.563 1.00 15.00 H new ATOM 0 HD1 PHE A 69 2.985 1.966 -2.274 1.00 15.00 H new ATOM 0 HD2 PHE A 69 0.708 -1.299 -3.789 1.00 15.00 H new ATOM 0 HE1 PHE A 69 4.079 0.462 -0.670 1.00 15.00 H new ATOM 0 HE2 PHE A 69 1.800 -2.808 -2.188 1.00 15.00 H new ATOM 0 HZ PHE A 69 3.491 -1.929 -0.625 1.00 15.00 H new ATOM 1082 N THR A 70 0.244 4.527 -4.223 1.00 15.00 N ATOM 1083 CA THR A 70 -0.018 5.700 -5.037 1.00 15.00 C ATOM 1084 C THR A 70 1.179 6.040 -5.920 1.00 15.00 C ATOM 1085 O THR A 70 2.326 5.908 -5.500 1.00 15.00 O ATOM 1086 CB THR A 70 -0.371 6.902 -4.143 1.00 15.00 C ATOM 1087 OG1 THR A 70 0.354 6.813 -2.907 1.00 15.00 O ATOM 1088 CG2 THR A 70 -1.861 6.936 -3.853 1.00 15.00 C ATOM 0 H THR A 70 0.913 4.679 -3.468 1.00 15.00 H new ATOM 0 HA THR A 70 -0.865 5.475 -5.685 1.00 15.00 H new ATOM 0 HB THR A 70 -0.096 7.817 -4.668 1.00 15.00 H new ATOM 0 HG1 THR A 70 1.267 7.143 -3.039 1.00 15.00 H new ATOM 0 HG21 THR A 70 -2.089 7.793 -3.220 1.00 15.00 H new ATOM 0 HG22 THR A 70 -2.412 7.020 -4.790 1.00 15.00 H new ATOM 0 HG23 THR A 70 -2.153 6.019 -3.341 1.00 15.00 H new ATOM 1096 N THR A 71 0.914 6.479 -7.145 1.00 15.00 N ATOM 1097 CA THR A 71 1.980 6.822 -8.079 1.00 15.00 C ATOM 1098 C THR A 71 2.530 8.229 -7.832 1.00 15.00 C ATOM 1099 O THR A 71 2.603 9.053 -8.749 1.00 15.00 O ATOM 1100 CB THR A 71 1.491 6.717 -9.534 1.00 15.00 C ATOM 1101 OG1 THR A 71 0.056 6.730 -9.570 1.00 15.00 O ATOM 1102 CG2 THR A 71 2.013 5.449 -10.190 1.00 15.00 C ATOM 0 H THR A 71 -0.028 6.606 -7.514 1.00 15.00 H new ATOM 0 HA THR A 71 2.783 6.105 -7.911 1.00 15.00 H new ATOM 0 HB THR A 71 1.874 7.574 -10.088 1.00 15.00 H new ATOM 0 HG1 THR A 71 -0.249 6.664 -10.499 1.00 15.00 H new ATOM 0 HG21 THR A 71 1.654 5.397 -11.218 1.00 15.00 H new ATOM 0 HG22 THR A 71 3.103 5.460 -10.186 1.00 15.00 H new ATOM 0 HG23 THR A 71 1.657 4.580 -9.637 1.00 15.00 H new ATOM 1110 N ASP A 72 2.921 8.502 -6.594 1.00 15.00 N ATOM 1111 CA ASP A 72 3.468 9.804 -6.238 1.00 15.00 C ATOM 1112 C ASP A 72 4.749 9.635 -5.426 1.00 15.00 C ATOM 1113 O ASP A 72 4.766 8.911 -4.438 1.00 15.00 O ATOM 1114 CB ASP A 72 2.440 10.627 -5.457 1.00 15.00 C ATOM 1115 CG ASP A 72 1.874 11.763 -6.286 1.00 15.00 C ATOM 1116 OD1 ASP A 72 2.491 12.850 -6.306 1.00 15.00 O ATOM 1117 OD2 ASP A 72 0.826 11.568 -6.939 1.00 15.00 O1- ATOM 0 H ASP A 72 2.869 7.839 -5.820 1.00 15.00 H new ATOM 0 HA ASP A 72 3.707 10.341 -7.156 1.00 15.00 H new ATOM 0 HB2 ASP A 72 1.628 9.977 -5.130 1.00 15.00 H new ATOM 0 HB3 ASP A 72 2.906 11.031 -4.558 1.00 15.00 H new ATOM 1122 N PRO A 73 5.841 10.311 -5.825 1.00 15.00 N ATOM 1123 CA PRO A 73 7.138 10.208 -5.128 1.00 15.00 C ATOM 1124 C PRO A 73 7.077 10.647 -3.663 1.00 15.00 C ATOM 1125 O PRO A 73 7.929 10.269 -2.856 1.00 15.00 O ATOM 1126 CB PRO A 73 8.049 11.155 -5.920 1.00 15.00 C ATOM 1127 CG PRO A 73 7.379 11.361 -7.235 1.00 15.00 C ATOM 1128 CD PRO A 73 5.908 11.220 -6.986 1.00 15.00 C ATOM 0 HA PRO A 73 7.483 9.174 -5.095 1.00 15.00 H new ATOM 0 HB2 PRO A 73 8.179 12.102 -5.395 1.00 15.00 H new ATOM 0 HB3 PRO A 73 9.042 10.724 -6.051 1.00 15.00 H new ATOM 0 HG2 PRO A 73 7.612 12.346 -7.640 1.00 15.00 H new ATOM 0 HG3 PRO A 73 7.722 10.627 -7.965 1.00 15.00 H new ATOM 0 HD2 PRO A 73 5.443 12.182 -6.770 1.00 15.00 H new ATOM 0 HD3 PRO A 73 5.392 10.804 -7.852 1.00 15.00 H new ATOM 1136 N ASN A 74 6.072 11.439 -3.324 1.00 15.00 N ATOM 1137 CA ASN A 74 5.915 11.934 -1.961 1.00 15.00 C ATOM 1138 C ASN A 74 4.911 11.098 -1.169 1.00 15.00 C ATOM 1139 O ASN A 74 4.672 11.361 0.010 1.00 15.00 O ATOM 1140 CB ASN A 74 5.479 13.402 -1.973 1.00 15.00 C ATOM 1141 CG ASN A 74 4.220 13.624 -2.784 1.00 15.00 C ATOM 1142 OD1 ASN A 74 3.109 13.541 -2.262 1.00 15.00 O ATOM 1143 ND2 ASN A 74 4.386 13.916 -4.065 1.00 15.00 N ATOM 0 H ASN A 74 5.351 11.754 -3.973 1.00 15.00 H new ATOM 0 HA ASN A 74 6.884 11.850 -1.469 1.00 15.00 H new ATOM 0 HB2 ASN A 74 5.312 13.737 -0.949 1.00 15.00 H new ATOM 0 HB3 ASN A 74 6.283 14.014 -2.381 1.00 15.00 H new ATOM 0 HD21 ASN A 74 3.574 14.082 -4.660 1.00 15.00 H new ATOM 0 HD22 ASN A 74 5.326 13.975 -4.457 1.00 15.00 H new ATOM 1150 N LYS A 75 4.336 10.085 -1.804 1.00 15.00 N ATOM 1151 CA LYS A 75 3.365 9.233 -1.137 1.00 15.00 C ATOM 1152 C LYS A 75 3.409 7.823 -1.706 1.00 15.00 C ATOM 1153 O LYS A 75 2.918 7.576 -2.806 1.00 15.00 O ATOM 1154 CB LYS A 75 1.957 9.810 -1.284 1.00 15.00 C ATOM 1155 CG LYS A 75 1.002 9.374 -0.184 1.00 15.00 C ATOM 1156 CD LYS A 75 1.434 9.927 1.166 1.00 15.00 C ATOM 1157 CE LYS A 75 0.328 9.815 2.199 1.00 15.00 C ATOM 1158 NZ LYS A 75 0.275 8.465 2.825 1.00 15.00 N1+ ATOM 0 H LYS A 75 4.525 9.835 -2.775 1.00 15.00 H new ATOM 0 HA LYS A 75 3.621 9.191 -0.078 1.00 15.00 H new ATOM 0 HB2 LYS A 75 2.018 10.898 -1.290 1.00 15.00 H new ATOM 0 HB3 LYS A 75 1.549 9.508 -2.249 1.00 15.00 H new ATOM 0 HG2 LYS A 75 -0.006 9.718 -0.416 1.00 15.00 H new ATOM 0 HG3 LYS A 75 0.965 8.286 -0.140 1.00 15.00 H new ATOM 0 HD2 LYS A 75 2.314 9.387 1.515 1.00 15.00 H new ATOM 0 HD3 LYS A 75 1.724 10.972 1.055 1.00 15.00 H new ATOM 0 HE2 LYS A 75 0.480 10.567 2.974 1.00 15.00 H new ATOM 0 HE3 LYS A 75 -0.630 10.032 1.727 1.00 15.00 H new ATOM 0 HZ1 LYS A 75 -0.516 8.425 3.499 1.00 15.00 H new ATOM 0 HZ2 LYS A 75 0.138 7.745 2.087 1.00 15.00 H new ATOM 0 HZ3 LYS A 75 1.167 8.280 3.327 1.00 15.00 H new ATOM 1172 N ARG A 76 3.999 6.905 -0.952 1.00 15.00 N ATOM 1173 CA ARG A 76 4.110 5.519 -1.388 1.00 15.00 C ATOM 1174 C ARG A 76 2.744 4.844 -1.435 1.00 15.00 C ATOM 1175 O ARG A 76 2.409 4.161 -2.402 1.00 15.00 O ATOM 1176 CB ARG A 76 5.052 4.744 -0.462 1.00 15.00 C ATOM 1177 CG ARG A 76 6.520 5.081 -0.678 1.00 15.00 C ATOM 1178 CD ARG A 76 7.428 4.251 0.217 1.00 15.00 C ATOM 1179 NE ARG A 76 7.348 4.661 1.620 1.00 15.00 N ATOM 1180 CZ ARG A 76 8.409 4.915 2.388 1.00 15.00 C ATOM 1181 NH1 ARG A 76 9.643 4.800 1.905 1.00 15.00 N1+ ATOM 1182 NH2 ARG A 76 8.236 5.303 3.642 1.00 15.00 N ATOM 0 H ARG A 76 4.408 7.094 -0.037 1.00 15.00 H new ATOM 0 HA ARG A 76 4.523 5.516 -2.397 1.00 15.00 H new ATOM 0 HB2 ARG A 76 4.787 4.955 0.574 1.00 15.00 H new ATOM 0 HB3 ARG A 76 4.905 3.675 -0.617 1.00 15.00 H new ATOM 0 HG2 ARG A 76 6.783 4.909 -1.722 1.00 15.00 H new ATOM 0 HG3 ARG A 76 6.683 6.140 -0.479 1.00 15.00 H new ATOM 0 HD2 ARG A 76 7.156 3.199 0.132 1.00 15.00 H new ATOM 0 HD3 ARG A 76 8.458 4.343 -0.128 1.00 15.00 H new ATOM 0 HE ARG A 76 6.422 4.759 2.037 1.00 15.00 H new ATOM 0 HH11 ARG A 76 9.787 4.515 0.936 1.00 15.00 H new ATOM 0 HH12 ARG A 76 10.445 4.997 2.503 1.00 15.00 H new ATOM 0 HH21 ARG A 76 7.294 5.407 4.018 1.00 15.00 H new ATOM 0 HH22 ARG A 76 9.045 5.498 4.232 1.00 15.00 H new ATOM 1196 N TRP A 77 1.946 5.044 -0.398 1.00 15.00 N ATOM 1197 CA TRP A 77 0.622 4.439 -0.346 1.00 15.00 C ATOM 1198 C TRP A 77 -0.320 5.262 0.518 1.00 15.00 C ATOM 1199 O TRP A 77 0.117 6.144 1.265 1.00 15.00 O ATOM 1200 CB TRP A 77 0.700 3.000 0.185 1.00 15.00 C ATOM 1201 CG TRP A 77 1.257 2.893 1.573 1.00 15.00 C ATOM 1202 CD1 TRP A 77 2.576 2.857 1.930 1.00 15.00 C ATOM 1203 CD2 TRP A 77 0.511 2.794 2.793 1.00 15.00 C ATOM 1204 NE1 TRP A 77 2.692 2.755 3.293 1.00 15.00 N ATOM 1205 CE2 TRP A 77 1.442 2.712 3.844 1.00 15.00 C ATOM 1206 CE3 TRP A 77 -0.854 2.769 3.099 1.00 15.00 C ATOM 1207 CZ2 TRP A 77 1.055 2.609 5.176 1.00 15.00 C ATOM 1208 CZ3 TRP A 77 -1.237 2.668 4.424 1.00 15.00 C ATOM 1209 CH2 TRP A 77 -0.285 2.587 5.446 1.00 15.00 C ATOM 0 H TRP A 77 2.187 5.615 0.412 1.00 15.00 H new ATOM 0 HA TRP A 77 0.228 4.416 -1.362 1.00 15.00 H new ATOM 0 HB2 TRP A 77 -0.299 2.563 0.170 1.00 15.00 H new ATOM 0 HB3 TRP A 77 1.317 2.407 -0.490 1.00 15.00 H new ATOM 0 HD1 TRP A 77 3.405 2.902 1.240 1.00 15.00 H new ATOM 0 HE1 TRP A 77 3.570 2.717 3.812 1.00 15.00 H new ATOM 0 HE3 TRP A 77 -1.595 2.827 2.315 1.00 15.00 H new ATOM 0 HZ2 TRP A 77 1.787 2.549 5.968 1.00 15.00 H new ATOM 0 HZ3 TRP A 77 -2.288 2.651 4.674 1.00 15.00 H new ATOM 0 HH2 TRP A 77 -0.616 2.505 6.471 1.00 15.00 H new ATOM 1220 N GLU A 78 -1.608 4.973 0.410 1.00 15.00 N ATOM 1221 CA GLU A 78 -2.625 5.667 1.182 1.00 15.00 C ATOM 1222 C GLU A 78 -3.828 4.764 1.404 1.00 15.00 C ATOM 1223 O GLU A 78 -3.935 3.694 0.800 1.00 15.00 O ATOM 1224 CB GLU A 78 -3.068 6.951 0.477 1.00 15.00 C ATOM 1225 CG GLU A 78 -2.759 8.215 1.263 1.00 15.00 C ATOM 1226 CD GLU A 78 -3.146 8.109 2.727 1.00 15.00 C ATOM 1227 OE1 GLU A 78 -2.241 8.126 3.588 1.00 15.00 O ATOM 1228 OE2 GLU A 78 -4.356 8.019 3.022 1.00 15.00 O1- ATOM 0 H GLU A 78 -1.976 4.254 -0.213 1.00 15.00 H new ATOM 0 HA GLU A 78 -2.191 5.932 2.146 1.00 15.00 H new ATOM 0 HB2 GLU A 78 -2.579 7.009 -0.495 1.00 15.00 H new ATOM 0 HB3 GLU A 78 -4.141 6.902 0.291 1.00 15.00 H new ATOM 0 HG2 GLU A 78 -1.693 8.432 1.189 1.00 15.00 H new ATOM 0 HG3 GLU A 78 -3.287 9.055 0.813 1.00 15.00 H new ATOM 1235 N TYR A 79 -4.729 5.214 2.264 1.00 15.00 N ATOM 1236 CA TYR A 79 -5.938 4.471 2.590 1.00 15.00 C ATOM 1237 C TYR A 79 -7.064 4.846 1.636 1.00 15.00 C ATOM 1238 O TYR A 79 -6.998 5.873 0.957 1.00 15.00 O ATOM 1239 CB TYR A 79 -6.377 4.758 4.029 1.00 15.00 C ATOM 1240 CG TYR A 79 -5.439 4.225 5.091 1.00 15.00 C ATOM 1241 CD1 TYR A 79 -4.387 4.997 5.564 1.00 15.00 C ATOM 1242 CD2 TYR A 79 -5.621 2.960 5.633 1.00 15.00 C ATOM 1243 CE1 TYR A 79 -3.543 4.524 6.550 1.00 15.00 C ATOM 1244 CE2 TYR A 79 -4.778 2.479 6.616 1.00 15.00 C ATOM 1245 CZ TYR A 79 -3.741 3.266 7.072 1.00 15.00 C ATOM 1246 OH TYR A 79 -2.908 2.798 8.063 1.00 15.00 O ATOM 0 H TYR A 79 -4.643 6.104 2.755 1.00 15.00 H new ATOM 0 HA TYR A 79 -5.718 3.408 2.490 1.00 15.00 H new ATOM 0 HB2 TYR A 79 -6.475 5.836 4.157 1.00 15.00 H new ATOM 0 HB3 TYR A 79 -7.366 4.327 4.186 1.00 15.00 H new ATOM 0 HD1 TYR A 79 -4.226 5.983 5.155 1.00 15.00 H new ATOM 0 HD2 TYR A 79 -6.434 2.342 5.281 1.00 15.00 H new ATOM 0 HE1 TYR A 79 -2.731 5.139 6.910 1.00 15.00 H new ATOM 0 HE2 TYR A 79 -4.930 1.491 7.026 1.00 15.00 H new ATOM 0 HH TYR A 79 -3.184 1.894 8.322 1.00 15.00 H new ATOM 1256 N CYS A 80 -8.088 4.013 1.575 1.00 15.00 N ATOM 1257 CA CYS A 80 -9.229 4.282 0.718 1.00 15.00 C ATOM 1258 C CYS A 80 -10.479 4.447 1.576 1.00 15.00 C ATOM 1259 O CYS A 80 -10.691 3.698 2.530 1.00 15.00 O ATOM 1260 CB CYS A 80 -9.425 3.153 -0.298 1.00 15.00 C ATOM 1261 SG CYS A 80 -10.521 3.582 -1.676 1.00 15.00 S ATOM 0 H CYS A 80 -8.153 3.146 2.108 1.00 15.00 H new ATOM 0 HA CYS A 80 -9.046 5.203 0.165 1.00 15.00 H new ATOM 0 HB2 CYS A 80 -8.453 2.865 -0.697 1.00 15.00 H new ATOM 0 HB3 CYS A 80 -9.830 2.281 0.217 1.00 15.00 H new ATOM 0 HG CYS A 80 -9.809 3.958 -2.696 1.00 15.00 H new ATOM 1267 N ASP A 81 -11.292 5.442 1.240 1.00 15.00 N ATOM 1268 CA ASP A 81 -12.513 5.728 1.989 1.00 15.00 C ATOM 1269 C ASP A 81 -13.692 4.961 1.408 1.00 15.00 C ATOM 1270 O ASP A 81 -14.159 5.253 0.304 1.00 15.00 O ATOM 1271 CB ASP A 81 -12.806 7.232 1.985 1.00 15.00 C ATOM 1272 CG ASP A 81 -13.992 7.595 2.855 1.00 15.00 C ATOM 1273 OD1 ASP A 81 -13.807 7.766 4.079 1.00 15.00 O ATOM 1274 OD2 ASP A 81 -15.113 7.720 2.322 1.00 15.00 O1- ATOM 0 H ASP A 81 -11.128 6.067 0.451 1.00 15.00 H new ATOM 0 HA ASP A 81 -12.364 5.405 3.019 1.00 15.00 H new ATOM 0 HB2 ASP A 81 -11.925 7.771 2.334 1.00 15.00 H new ATOM 0 HB3 ASP A 81 -12.996 7.559 0.963 1.00 15.00 H new ATOM 1279 N ILE A 82 -14.162 3.973 2.151 1.00 15.00 N ATOM 1280 CA ILE A 82 -15.279 3.147 1.719 1.00 15.00 C ATOM 1281 C ILE A 82 -16.389 3.158 2.771 1.00 15.00 C ATOM 1282 O ILE A 82 -16.115 3.010 3.961 1.00 15.00 O ATOM 1283 CB ILE A 82 -14.822 1.688 1.467 1.00 15.00 C ATOM 1284 CG1 ILE A 82 -13.590 1.667 0.559 1.00 15.00 C ATOM 1285 CG2 ILE A 82 -15.944 0.863 0.852 1.00 15.00 C ATOM 1286 CD1 ILE A 82 -12.941 0.307 0.442 1.00 15.00 C ATOM 0 H ILE A 82 -13.784 3.721 3.064 1.00 15.00 H new ATOM 0 HA ILE A 82 -15.661 3.563 0.787 1.00 15.00 H new ATOM 0 HB ILE A 82 -14.561 1.244 2.427 1.00 15.00 H new ATOM 0 HG12 ILE A 82 -13.877 2.009 -0.435 1.00 15.00 H new ATOM 0 HG13 ILE A 82 -12.857 2.377 0.941 1.00 15.00 H new ATOM 0 HG21 ILE A 82 -15.597 -0.157 0.685 1.00 15.00 H new ATOM 0 HG22 ILE A 82 -16.798 0.849 1.529 1.00 15.00 H new ATOM 0 HG23 ILE A 82 -16.241 1.305 -0.099 1.00 15.00 H new ATOM 0 HD11 ILE A 82 -12.076 0.372 -0.217 1.00 15.00 H new ATOM 0 HD12 ILE A 82 -12.621 -0.030 1.428 1.00 15.00 H new ATOM 0 HD13 ILE A 82 -13.658 -0.404 0.031 1.00 15.00 H new ATOM 1298 N PRO A 83 -17.647 3.367 2.350 1.00 15.00 N ATOM 1299 CA PRO A 83 -18.798 3.387 3.265 1.00 15.00 C ATOM 1300 C PRO A 83 -18.990 2.054 3.991 1.00 15.00 C ATOM 1301 O PRO A 83 -18.959 0.986 3.377 1.00 15.00 O ATOM 1302 CB PRO A 83 -19.990 3.671 2.345 1.00 15.00 C ATOM 1303 CG PRO A 83 -19.522 3.344 0.968 1.00 15.00 C ATOM 1304 CD PRO A 83 -18.048 3.617 0.954 1.00 15.00 C ATOM 0 HA PRO A 83 -18.670 4.126 4.056 1.00 15.00 H new ATOM 0 HB2 PRO A 83 -20.851 3.063 2.621 1.00 15.00 H new ATOM 0 HB3 PRO A 83 -20.300 4.714 2.416 1.00 15.00 H new ATOM 0 HG2 PRO A 83 -19.728 2.302 0.724 1.00 15.00 H new ATOM 0 HG3 PRO A 83 -20.038 3.953 0.226 1.00 15.00 H new ATOM 0 HD2 PRO A 83 -17.523 2.960 0.260 1.00 15.00 H new ATOM 0 HD3 PRO A 83 -17.831 4.641 0.650 1.00 15.00 H new ATOM 1312 N ARG A 84 -19.193 2.126 5.297 1.00 15.00 N ATOM 1313 CA ARG A 84 -19.377 0.939 6.116 1.00 15.00 C ATOM 1314 C ARG A 84 -20.854 0.724 6.434 1.00 15.00 C ATOM 1315 O ARG A 84 -21.684 1.604 6.201 1.00 15.00 O ATOM 1316 CB ARG A 84 -18.567 1.071 7.409 1.00 15.00 C ATOM 1317 CG ARG A 84 -19.129 2.091 8.390 1.00 15.00 C ATOM 1318 CD ARG A 84 -18.117 2.444 9.470 1.00 15.00 C ATOM 1319 NE ARG A 84 -17.338 3.637 9.123 1.00 15.00 N ATOM 1320 CZ ARG A 84 -16.084 3.854 9.524 1.00 15.00 C ATOM 1321 NH1 ARG A 84 -15.464 2.965 10.288 1.00 15.00 N1+ ATOM 1322 NH2 ARG A 84 -15.442 4.963 9.165 1.00 15.00 N ATOM 0 H ARG A 84 -19.235 3.003 5.816 1.00 15.00 H new ATOM 0 HA ARG A 84 -19.021 0.072 5.559 1.00 15.00 H new ATOM 0 HB2 ARG A 84 -18.522 0.098 7.898 1.00 15.00 H new ATOM 0 HB3 ARG A 84 -17.544 1.349 7.158 1.00 15.00 H new ATOM 0 HG2 ARG A 84 -19.418 2.994 7.852 1.00 15.00 H new ATOM 0 HG3 ARG A 84 -20.032 1.693 8.853 1.00 15.00 H new ATOM 0 HD2 ARG A 84 -18.637 2.612 10.413 1.00 15.00 H new ATOM 0 HD3 ARG A 84 -17.442 1.602 9.624 1.00 15.00 H new ATOM 0 HE ARG A 84 -17.782 4.345 8.539 1.00 15.00 H new ATOM 0 HH11 ARG A 84 -15.946 2.112 10.571 1.00 15.00 H new ATOM 0 HH12 ARG A 84 -14.505 3.135 10.592 1.00 15.00 H new ATOM 0 HH21 ARG A 84 -15.908 5.655 8.579 1.00 15.00 H new ATOM 0 HH22 ARG A 84 -14.484 5.121 9.476 1.00 15.00 H new ATOM 1336 N CYS A 85 -21.173 -0.449 6.954 1.00 15.00 N ATOM 1337 CA CYS A 85 -22.543 -0.781 7.320 1.00 15.00 C ATOM 1338 C CYS A 85 -22.805 -0.399 8.773 1.00 15.00 C ATOM 1339 O CYS A 85 -21.869 -0.138 9.533 1.00 15.00 O ATOM 1340 CB CYS A 85 -22.804 -2.279 7.114 1.00 15.00 C ATOM 1341 SG CYS A 85 -22.413 -2.867 5.453 1.00 15.00 S ATOM 0 H CYS A 85 -20.499 -1.193 7.134 1.00 15.00 H new ATOM 0 HA CYS A 85 -23.221 -0.218 6.678 1.00 15.00 H new ATOM 0 HB2 CYS A 85 -22.215 -2.843 7.837 1.00 15.00 H new ATOM 0 HB3 CYS A 85 -23.853 -2.488 7.325 1.00 15.00 H new ATOM 0 HG CYS A 85 -21.236 -2.437 5.106 1.00 15.00 H new ATOM 1347 N ALA A 86 -24.077 -0.352 9.147 1.00 15.00 N ATOM 1348 CA ALA A 86 -24.457 -0.019 10.512 1.00 15.00 C ATOM 1349 C ALA A 86 -24.162 -1.197 11.432 1.00 15.00 C ATOM 1350 O ALA A 86 -23.742 -1.025 12.579 1.00 15.00 O ATOM 1351 CB ALA A 86 -25.931 0.355 10.584 1.00 15.00 C ATOM 0 H ALA A 86 -24.862 -0.540 8.524 1.00 15.00 H new ATOM 0 HA ALA A 86 -23.873 0.841 10.838 1.00 15.00 H new ATOM 0 HB1 ALA A 86 -26.194 0.600 11.613 1.00 15.00 H new ATOM 0 HB2 ALA A 86 -26.119 1.218 9.946 1.00 15.00 H new ATOM 0 HB3 ALA A 86 -26.537 -0.486 10.245 1.00 15.00 H new ATOM 1357 N ALA A 87 -24.368 -2.396 10.911 1.00 15.00 N ATOM 1358 CA ALA A 87 -24.120 -3.611 11.664 1.00 15.00 C ATOM 1359 C ALA A 87 -22.837 -4.271 11.183 1.00 15.00 C ATOM 1360 O ALA A 87 -22.831 -4.798 10.055 1.00 15.00 O ATOM 1361 CB ALA A 87 -25.295 -4.567 11.532 1.00 15.00 C ATOM 1362 OXT ALA A 87 -21.836 -4.244 11.926 1.00 15.00 O1- ATOM 0 H ALA A 87 -24.709 -2.552 9.962 1.00 15.00 H new ATOM 0 HA ALA A 87 -24.006 -3.354 12.717 1.00 15.00 H new ATOM 0 HB1 ALA A 87 -25.093 -5.473 12.103 1.00 15.00 H new ATOM 0 HB2 ALA A 87 -26.197 -4.090 11.916 1.00 15.00 H new ATOM 0 HB3 ALA A 87 -25.439 -4.824 10.483 1.00 15.00 H new TER 1368 ALA A 87 ATOM 1369 N GLY B 101 19.066 4.136 -13.882 1.00 15.00 N ATOM 1370 CA GLY B 101 18.265 2.927 -14.193 1.00 15.00 C ATOM 1371 C GLY B 101 16.957 2.902 -13.430 1.00 15.00 C ATOM 1372 O GLY B 101 15.909 2.572 -13.988 1.00 15.00 O ATOM 0 HA2 GLY B 101 18.061 2.892 -15.263 1.00 15.00 H new ATOM 0 HA3 GLY B 101 18.844 2.036 -13.950 1.00 15.00 H new ATOM 1378 N SER B 102 17.014 3.263 -12.156 1.00 15.00 N ATOM 1379 CA SER B 102 15.835 3.282 -11.311 1.00 15.00 C ATOM 1380 C SER B 102 16.058 4.261 -10.162 1.00 15.00 C ATOM 1381 O SER B 102 16.941 5.119 -10.240 1.00 15.00 O ATOM 1382 CB SER B 102 15.554 1.869 -10.780 1.00 15.00 C ATOM 1383 OG SER B 102 14.213 1.726 -10.343 1.00 15.00 O ATOM 0 H SER B 102 17.872 3.548 -11.685 1.00 15.00 H new ATOM 0 HA SER B 102 14.969 3.608 -11.887 1.00 15.00 H new ATOM 0 HB2 SER B 102 15.761 1.139 -11.563 1.00 15.00 H new ATOM 0 HB3 SER B 102 16.230 1.650 -9.954 1.00 15.00 H new ATOM 0 HG SER B 102 14.072 0.814 -10.014 1.00 15.00 H new ATOM 1389 N VAL B 103 15.261 4.148 -9.106 1.00 15.00 N ATOM 1390 CA VAL B 103 15.402 5.023 -7.954 1.00 15.00 C ATOM 1391 C VAL B 103 16.706 4.704 -7.217 1.00 15.00 C ATOM 1392 O VAL B 103 16.806 3.730 -6.468 1.00 15.00 O ATOM 1393 CB VAL B 103 14.179 4.933 -6.999 1.00 15.00 C ATOM 1394 CG1 VAL B 103 13.919 3.503 -6.545 1.00 15.00 C ATOM 1395 CG2 VAL B 103 14.368 5.844 -5.796 1.00 15.00 C ATOM 0 H VAL B 103 14.513 3.460 -9.026 1.00 15.00 H new ATOM 0 HA VAL B 103 15.440 6.051 -8.313 1.00 15.00 H new ATOM 0 HB VAL B 103 13.305 5.266 -7.559 1.00 15.00 H new ATOM 0 HG11 VAL B 103 13.056 3.484 -5.879 1.00 15.00 H new ATOM 0 HG12 VAL B 103 13.721 2.876 -7.414 1.00 15.00 H new ATOM 0 HG13 VAL B 103 14.794 3.124 -6.016 1.00 15.00 H new ATOM 0 HG21 VAL B 103 13.501 5.766 -5.141 1.00 15.00 H new ATOM 0 HG22 VAL B 103 15.263 5.545 -5.251 1.00 15.00 H new ATOM 0 HG23 VAL B 103 14.476 6.875 -6.134 1.00 15.00 H new ATOM 1405 N GLU B 104 17.717 5.513 -7.471 1.00 15.00 N ATOM 1406 CA GLU B 104 19.022 5.320 -6.864 1.00 15.00 C ATOM 1407 C GLU B 104 19.272 6.343 -5.764 1.00 15.00 C ATOM 1408 O GLU B 104 20.322 6.327 -5.116 1.00 15.00 O ATOM 1409 CB GLU B 104 20.108 5.399 -7.940 1.00 15.00 C ATOM 1410 CG GLU B 104 20.075 4.224 -8.905 1.00 15.00 C ATOM 1411 CD GLU B 104 20.360 4.627 -10.339 1.00 15.00 C ATOM 1412 OE1 GLU B 104 19.659 4.133 -11.252 1.00 15.00 O ATOM 1413 OE2 GLU B 104 21.294 5.426 -10.567 1.00 15.00 O1- ATOM 0 H GLU B 104 17.659 6.316 -8.098 1.00 15.00 H new ATOM 0 HA GLU B 104 19.051 4.332 -6.404 1.00 15.00 H new ATOM 0 HB2 GLU B 104 19.989 6.326 -8.501 1.00 15.00 H new ATOM 0 HB3 GLU B 104 21.086 5.440 -7.459 1.00 15.00 H new ATOM 0 HG2 GLU B 104 20.808 3.481 -8.590 1.00 15.00 H new ATOM 0 HG3 GLU B 104 19.096 3.747 -8.855 1.00 15.00 H new ATOM 1420 N LYS B 105 18.301 7.224 -5.550 1.00 15.00 N ATOM 1421 CA LYS B 105 18.405 8.247 -4.516 1.00 15.00 C ATOM 1422 C LYS B 105 18.365 7.604 -3.131 1.00 15.00 C ATOM 1423 O LYS B 105 19.259 7.810 -2.311 1.00 15.00 O ATOM 1424 CB LYS B 105 17.276 9.270 -4.662 1.00 15.00 C ATOM 1425 CG LYS B 105 17.384 10.445 -3.700 1.00 15.00 C ATOM 1426 CD LYS B 105 16.260 11.447 -3.921 1.00 15.00 C ATOM 1427 CE LYS B 105 16.214 12.497 -2.819 1.00 15.00 C ATOM 1428 NZ LYS B 105 15.108 13.470 -3.026 1.00 15.00 N1+ ATOM 0 H LYS B 105 17.430 7.250 -6.081 1.00 15.00 H new ATOM 0 HA LYS B 105 19.357 8.765 -4.633 1.00 15.00 H new ATOM 0 HB2 LYS B 105 17.271 9.648 -5.684 1.00 15.00 H new ATOM 0 HB3 LYS B 105 16.321 8.769 -4.503 1.00 15.00 H new ATOM 0 HG2 LYS B 105 17.352 10.081 -2.673 1.00 15.00 H new ATOM 0 HG3 LYS B 105 18.346 10.940 -3.833 1.00 15.00 H new ATOM 0 HD2 LYS B 105 16.395 11.937 -4.885 1.00 15.00 H new ATOM 0 HD3 LYS B 105 15.306 10.921 -3.962 1.00 15.00 H new ATOM 0 HE2 LYS B 105 16.089 12.005 -1.854 1.00 15.00 H new ATOM 0 HE3 LYS B 105 17.164 13.030 -2.785 1.00 15.00 H new ATOM 0 HZ1 LYS B 105 14.631 13.651 -2.120 1.00 15.00 H new ATOM 0 HZ2 LYS B 105 15.495 14.361 -3.397 1.00 15.00 H new ATOM 0 HZ3 LYS B 105 14.425 13.079 -3.706 1.00 15.00 H new ATOM 1442 N LEU B 106 17.332 6.805 -2.885 1.00 15.00 N ATOM 1443 CA LEU B 106 17.179 6.118 -1.604 1.00 15.00 C ATOM 1444 C LEU B 106 17.837 4.744 -1.675 1.00 15.00 C ATOM 1445 O LEU B 106 17.197 3.723 -1.435 1.00 15.00 O ATOM 1446 CB LEU B 106 15.694 5.968 -1.246 1.00 15.00 C ATOM 1447 CG LEU B 106 14.990 7.240 -0.747 1.00 15.00 C ATOM 1448 CD1 LEU B 106 15.881 8.018 0.213 1.00 15.00 C ATOM 1449 CD2 LEU B 106 14.568 8.116 -1.918 1.00 15.00 C ATOM 0 H LEU B 106 16.587 6.616 -3.555 1.00 15.00 H new ATOM 0 HA LEU B 106 17.664 6.712 -0.829 1.00 15.00 H new ATOM 0 HB2 LEU B 106 15.163 5.604 -2.126 1.00 15.00 H new ATOM 0 HB3 LEU B 106 15.601 5.200 -0.478 1.00 15.00 H new ATOM 0 HG LEU B 106 14.094 6.937 -0.204 1.00 15.00 H new ATOM 0 HD11 LEU B 106 15.358 8.913 0.550 1.00 15.00 H new ATOM 0 HD12 LEU B 106 16.123 7.393 1.073 1.00 15.00 H new ATOM 0 HD13 LEU B 106 16.801 8.306 -0.296 1.00 15.00 H new ATOM 0 HD21 LEU B 106 14.072 9.011 -1.543 1.00 15.00 H new ATOM 0 HD22 LEU B 106 15.448 8.403 -2.493 1.00 15.00 H new ATOM 0 HD23 LEU B 106 13.881 7.562 -2.558 1.00 15.00 H new ATOM 1461 N THR B 107 19.121 4.737 -1.998 1.00 15.00 N ATOM 1462 CA THR B 107 19.886 3.506 -2.142 1.00 15.00 C ATOM 1463 C THR B 107 19.878 2.648 -0.872 1.00 15.00 C ATOM 1464 O THR B 107 19.380 1.520 -0.879 1.00 15.00 O ATOM 1465 CB THR B 107 21.337 3.839 -2.524 1.00 15.00 C ATOM 1466 OG1 THR B 107 21.422 5.213 -2.946 1.00 15.00 O ATOM 1467 CG2 THR B 107 21.826 2.928 -3.640 1.00 15.00 C ATOM 0 H THR B 107 19.663 5.584 -2.168 1.00 15.00 H new ATOM 0 HA THR B 107 19.407 2.924 -2.929 1.00 15.00 H new ATOM 0 HB THR B 107 21.970 3.683 -1.650 1.00 15.00 H new ATOM 0 HG1 THR B 107 20.989 5.314 -3.819 1.00 15.00 H new ATOM 0 HG21 THR B 107 22.855 3.183 -3.893 1.00 15.00 H new ATOM 0 HG22 THR B 107 21.780 1.890 -3.309 1.00 15.00 H new ATOM 0 HG23 THR B 107 21.194 3.057 -4.518 1.00 15.00 H new ATOM 1475 N ALA B 108 20.399 3.193 0.218 1.00 15.00 N ATOM 1476 CA ALA B 108 20.477 2.460 1.477 1.00 15.00 C ATOM 1477 C ALA B 108 19.095 2.119 2.023 1.00 15.00 C ATOM 1478 O ALA B 108 18.878 1.022 2.543 1.00 15.00 O ATOM 1479 CB ALA B 108 21.264 3.260 2.502 1.00 15.00 C ATOM 0 H ALA B 108 20.775 4.141 0.258 1.00 15.00 H new ATOM 0 HA ALA B 108 20.993 1.520 1.279 1.00 15.00 H new ATOM 0 HB1 ALA B 108 21.315 2.703 3.437 1.00 15.00 H new ATOM 0 HB2 ALA B 108 22.273 3.437 2.129 1.00 15.00 H new ATOM 0 HB3 ALA B 108 20.769 4.215 2.676 1.00 15.00 H new ATOM 1485 N ASP B 109 18.164 3.055 1.885 1.00 15.00 N ATOM 1486 CA ASP B 109 16.799 2.865 2.375 1.00 15.00 C ATOM 1487 C ASP B 109 16.116 1.694 1.673 1.00 15.00 C ATOM 1488 O ASP B 109 15.558 0.807 2.323 1.00 15.00 O ATOM 1489 CB ASP B 109 15.975 4.140 2.182 1.00 15.00 C ATOM 1490 CG ASP B 109 15.746 4.893 3.481 1.00 15.00 C ATOM 1491 OD1 ASP B 109 16.649 5.642 3.909 1.00 15.00 O ATOM 1492 OD2 ASP B 109 14.658 4.750 4.076 1.00 15.00 O1- ATOM 0 H ASP B 109 18.327 3.957 1.437 1.00 15.00 H new ATOM 0 HA ASP B 109 16.860 2.638 3.439 1.00 15.00 H new ATOM 0 HB2 ASP B 109 16.484 4.793 1.473 1.00 15.00 H new ATOM 0 HB3 ASP B 109 15.012 3.882 1.742 1.00 15.00 H new ATOM 1497 N ALA B 110 16.179 1.686 0.347 1.00 15.00 N ATOM 1498 CA ALA B 110 15.562 0.624 -0.438 1.00 15.00 C ATOM 1499 C ALA B 110 16.245 -0.716 -0.187 1.00 15.00 C ATOM 1500 O ALA B 110 15.582 -1.747 -0.070 1.00 15.00 O ATOM 1501 CB ALA B 110 15.605 0.968 -1.919 1.00 15.00 C ATOM 0 H ALA B 110 16.650 2.402 -0.206 1.00 15.00 H new ATOM 0 HA ALA B 110 14.522 0.536 -0.125 1.00 15.00 H new ATOM 0 HB1 ALA B 110 15.141 0.166 -2.493 1.00 15.00 H new ATOM 0 HB2 ALA B 110 15.064 1.898 -2.092 1.00 15.00 H new ATOM 0 HB3 ALA B 110 16.641 1.087 -2.235 1.00 15.00 H new ATOM 1507 N GLU B 111 17.573 -0.689 -0.112 1.00 15.00 N ATOM 1508 CA GLU B 111 18.360 -1.895 0.128 1.00 15.00 C ATOM 1509 C GLU B 111 17.944 -2.566 1.432 1.00 15.00 C ATOM 1510 O GLU B 111 17.685 -3.770 1.462 1.00 15.00 O ATOM 1511 CB GLU B 111 19.849 -1.547 0.167 1.00 15.00 C ATOM 1512 CG GLU B 111 20.766 -2.759 0.205 1.00 15.00 C ATOM 1513 CD GLU B 111 22.230 -2.377 0.197 1.00 15.00 C ATOM 1514 OE1 GLU B 111 22.833 -2.342 -0.895 1.00 15.00 O ATOM 1515 OE2 GLU B 111 22.789 -2.107 1.283 1.00 15.00 O1- ATOM 0 H GLU B 111 18.129 0.160 -0.215 1.00 15.00 H new ATOM 0 HA GLU B 111 18.176 -2.594 -0.688 1.00 15.00 H new ATOM 0 HB2 GLU B 111 20.094 -0.946 -0.709 1.00 15.00 H new ATOM 0 HB3 GLU B 111 20.044 -0.929 1.043 1.00 15.00 H new ATOM 0 HG2 GLU B 111 20.551 -3.345 1.099 1.00 15.00 H new ATOM 0 HG3 GLU B 111 20.555 -3.397 -0.653 1.00 15.00 H new ATOM 1522 N LEU B 112 17.864 -1.777 2.502 1.00 15.00 N ATOM 1523 CA LEU B 112 17.482 -2.294 3.813 1.00 15.00 C ATOM 1524 C LEU B 112 16.077 -2.885 3.783 1.00 15.00 C ATOM 1525 O LEU B 112 15.854 -3.997 4.259 1.00 15.00 O ATOM 1526 CB LEU B 112 17.548 -1.188 4.873 1.00 15.00 C ATOM 1527 CG LEU B 112 18.955 -0.691 5.216 1.00 15.00 C ATOM 1528 CD1 LEU B 112 18.882 0.564 6.071 1.00 15.00 C ATOM 1529 CD2 LEU B 112 19.753 -1.781 5.924 1.00 15.00 C ATOM 0 H LEU B 112 18.059 -0.776 2.486 1.00 15.00 H new ATOM 0 HA LEU B 112 18.189 -3.082 4.072 1.00 15.00 H new ATOM 0 HB2 LEU B 112 16.956 -0.341 4.527 1.00 15.00 H new ATOM 0 HB3 LEU B 112 17.078 -1.554 5.786 1.00 15.00 H new ATOM 0 HG LEU B 112 19.469 -0.444 4.287 1.00 15.00 H new ATOM 0 HD11 LEU B 112 19.891 0.904 6.306 1.00 15.00 H new ATOM 0 HD12 LEU B 112 18.354 1.346 5.525 1.00 15.00 H new ATOM 0 HD13 LEU B 112 18.349 0.344 6.996 1.00 15.00 H new ATOM 0 HD21 LEU B 112 20.750 -1.408 6.159 1.00 15.00 H new ATOM 0 HD22 LEU B 112 19.245 -2.064 6.846 1.00 15.00 H new ATOM 0 HD23 LEU B 112 19.836 -2.652 5.274 1.00 15.00 H new ATOM 1541 N GLN B 113 15.140 -2.145 3.196 1.00 15.00 N ATOM 1542 CA GLN B 113 13.754 -2.589 3.111 1.00 15.00 C ATOM 1543 C GLN B 113 13.632 -3.908 2.346 1.00 15.00 C ATOM 1544 O GLN B 113 12.935 -4.821 2.783 1.00 15.00 O ATOM 1545 CB GLN B 113 12.886 -1.516 2.443 1.00 15.00 C ATOM 1546 CG GLN B 113 11.403 -1.852 2.439 1.00 15.00 C ATOM 1547 CD GLN B 113 10.709 -1.498 3.745 1.00 15.00 C ATOM 1548 OE1 GLN B 113 10.096 -0.437 3.868 1.00 15.00 O ATOM 1549 NE2 GLN B 113 10.798 -2.380 4.728 1.00 15.00 N ATOM 0 H GLN B 113 15.317 -1.234 2.772 1.00 15.00 H new ATOM 0 HA GLN B 113 13.400 -2.754 4.129 1.00 15.00 H new ATOM 0 HB2 GLN B 113 13.034 -0.567 2.959 1.00 15.00 H new ATOM 0 HB3 GLN B 113 13.222 -1.376 1.415 1.00 15.00 H new ATOM 0 HG2 GLN B 113 10.918 -1.320 1.621 1.00 15.00 H new ATOM 0 HG3 GLN B 113 11.278 -2.917 2.245 1.00 15.00 H new ATOM 0 HE21 GLN B 113 11.315 -3.248 4.589 1.00 15.00 H new ATOM 0 HE22 GLN B 113 10.350 -2.191 5.625 1.00 15.00 H new ATOM 1558 N ARG B 114 14.327 -4.010 1.217 1.00 15.00 N ATOM 1559 CA ARG B 114 14.274 -5.215 0.392 1.00 15.00 C ATOM 1560 C ARG B 114 14.972 -6.391 1.071 1.00 15.00 C ATOM 1561 O ARG B 114 14.425 -7.491 1.126 1.00 15.00 O ATOM 1562 CB ARG B 114 14.896 -4.958 -0.981 1.00 15.00 C ATOM 1563 CG ARG B 114 14.727 -6.121 -1.941 1.00 15.00 C ATOM 1564 CD ARG B 114 15.150 -5.752 -3.350 1.00 15.00 C ATOM 1565 NE ARG B 114 14.233 -4.798 -3.971 1.00 15.00 N ATOM 1566 CZ ARG B 114 14.417 -4.269 -5.179 1.00 15.00 C ATOM 1567 NH1 ARG B 114 15.484 -4.598 -5.903 1.00 15.00 N1+ ATOM 1568 NH2 ARG B 114 13.527 -3.415 -5.670 1.00 15.00 N ATOM 0 H ARG B 114 14.933 -3.275 0.852 1.00 15.00 H new ATOM 0 HA ARG B 114 13.223 -5.475 0.262 1.00 15.00 H new ATOM 0 HB2 ARG B 114 14.444 -4.067 -1.417 1.00 15.00 H new ATOM 0 HB3 ARG B 114 15.959 -4.748 -0.858 1.00 15.00 H new ATOM 0 HG2 ARG B 114 15.318 -6.968 -1.594 1.00 15.00 H new ATOM 0 HG3 ARG B 114 13.685 -6.440 -1.946 1.00 15.00 H new ATOM 0 HD2 ARG B 114 16.153 -5.326 -3.326 1.00 15.00 H new ATOM 0 HD3 ARG B 114 15.201 -6.654 -3.960 1.00 15.00 H new ATOM 0 HE ARG B 114 13.402 -4.521 -3.448 1.00 15.00 H new ATOM 0 HH11 ARG B 114 16.167 -5.259 -5.533 1.00 15.00 H new ATOM 0 HH12 ARG B 114 15.619 -4.189 -6.828 1.00 15.00 H new ATOM 0 HH21 ARG B 114 12.704 -3.165 -5.122 1.00 15.00 H new ATOM 0 HH22 ARG B 114 13.666 -3.009 -6.595 1.00 15.00 H new ATOM 1582 N LEU B 115 16.171 -6.152 1.593 1.00 15.00 N ATOM 1583 CA LEU B 115 16.935 -7.199 2.270 1.00 15.00 C ATOM 1584 C LEU B 115 16.128 -7.782 3.427 1.00 15.00 C ATOM 1585 O LEU B 115 16.131 -8.994 3.661 1.00 15.00 O ATOM 1586 CB LEU B 115 18.260 -6.634 2.785 1.00 15.00 C ATOM 1587 CG LEU B 115 19.202 -7.649 3.437 1.00 15.00 C ATOM 1588 CD1 LEU B 115 19.800 -8.579 2.391 1.00 15.00 C ATOM 1589 CD2 LEU B 115 20.302 -6.931 4.202 1.00 15.00 C ATOM 0 H LEU B 115 16.636 -5.245 1.561 1.00 15.00 H new ATOM 0 HA LEU B 115 17.144 -7.995 1.555 1.00 15.00 H new ATOM 0 HB2 LEU B 115 18.782 -6.163 1.952 1.00 15.00 H new ATOM 0 HB3 LEU B 115 18.043 -5.849 3.509 1.00 15.00 H new ATOM 0 HG LEU B 115 18.626 -8.252 4.139 1.00 15.00 H new ATOM 0 HD11 LEU B 115 20.466 -9.292 2.876 1.00 15.00 H new ATOM 0 HD12 LEU B 115 19.000 -9.118 1.883 1.00 15.00 H new ATOM 0 HD13 LEU B 115 20.363 -7.994 1.663 1.00 15.00 H new ATOM 0 HD21 LEU B 115 20.965 -7.665 4.661 1.00 15.00 H new ATOM 0 HD22 LEU B 115 20.873 -6.305 3.516 1.00 15.00 H new ATOM 0 HD23 LEU B 115 19.858 -6.308 4.978 1.00 15.00 H new ATOM 1601 N LYS B 116 15.430 -6.905 4.132 1.00 15.00 N ATOM 1602 CA LYS B 116 14.602 -7.297 5.261 1.00 15.00 C ATOM 1603 C LYS B 116 13.349 -8.029 4.782 1.00 15.00 C ATOM 1604 O LYS B 116 12.946 -9.037 5.359 1.00 15.00 O ATOM 1605 CB LYS B 116 14.209 -6.048 6.052 1.00 15.00 C ATOM 1606 CG LYS B 116 13.558 -6.332 7.392 1.00 15.00 C ATOM 1607 CD LYS B 116 13.007 -5.056 8.001 1.00 15.00 C ATOM 1608 CE LYS B 116 12.942 -5.134 9.512 1.00 15.00 C ATOM 1609 NZ LYS B 116 12.553 -3.835 10.114 1.00 15.00 N1+ ATOM 0 H LYS B 116 15.422 -5.904 3.938 1.00 15.00 H new ATOM 0 HA LYS B 116 15.168 -7.974 5.900 1.00 15.00 H new ATOM 0 HB2 LYS B 116 15.100 -5.442 6.216 1.00 15.00 H new ATOM 0 HB3 LYS B 116 13.525 -5.452 5.449 1.00 15.00 H new ATOM 0 HG2 LYS B 116 12.754 -7.057 7.265 1.00 15.00 H new ATOM 0 HG3 LYS B 116 14.286 -6.779 8.069 1.00 15.00 H new ATOM 0 HD2 LYS B 116 13.633 -4.214 7.708 1.00 15.00 H new ATOM 0 HD3 LYS B 116 12.010 -4.865 7.604 1.00 15.00 H new ATOM 0 HE2 LYS B 116 12.225 -5.900 9.806 1.00 15.00 H new ATOM 0 HE3 LYS B 116 13.913 -5.439 9.902 1.00 15.00 H new ATOM 0 HZ1 LYS B 116 12.536 -3.924 11.150 1.00 15.00 H new ATOM 0 HZ2 LYS B 116 13.242 -3.105 9.840 1.00 15.00 H new ATOM 0 HZ3 LYS B 116 11.608 -3.564 9.774 1.00 15.00 H new ATOM 1623 N ASN B 117 12.749 -7.510 3.716 1.00 15.00 N ATOM 1624 CA ASN B 117 11.538 -8.088 3.138 1.00 15.00 C ATOM 1625 C ASN B 117 11.777 -9.512 2.652 1.00 15.00 C ATOM 1626 O ASN B 117 10.994 -10.414 2.946 1.00 15.00 O ATOM 1627 CB ASN B 117 11.044 -7.214 1.978 1.00 15.00 C ATOM 1628 CG ASN B 117 9.917 -7.856 1.190 1.00 15.00 C ATOM 1629 OD1 ASN B 117 8.748 -7.746 1.559 1.00 15.00 O ATOM 1630 ND2 ASN B 117 10.252 -8.518 0.092 1.00 15.00 N ATOM 0 H ASN B 117 13.086 -6.680 3.229 1.00 15.00 H new ATOM 0 HA ASN B 117 10.777 -8.123 3.917 1.00 15.00 H new ATOM 0 HB2 ASN B 117 10.705 -6.256 2.371 1.00 15.00 H new ATOM 0 HB3 ASN B 117 11.877 -7.006 1.306 1.00 15.00 H new ATOM 0 HD21 ASN B 117 9.530 -8.958 -0.479 1.00 15.00 H new ATOM 0 HD22 ASN B 117 11.232 -8.588 -0.182 1.00 15.00 H new ATOM 1637 N GLU B 118 12.870 -9.709 1.926 1.00 15.00 N ATOM 1638 CA GLU B 118 13.210 -11.022 1.389 1.00 15.00 C ATOM 1639 C GLU B 118 13.393 -12.049 2.502 1.00 15.00 C ATOM 1640 O GLU B 118 13.060 -13.223 2.334 1.00 15.00 O ATOM 1641 CB GLU B 118 14.477 -10.939 0.537 1.00 15.00 C ATOM 1642 CG GLU B 118 14.240 -11.260 -0.931 1.00 15.00 C ATOM 1643 CD GLU B 118 13.519 -10.150 -1.674 1.00 15.00 C ATOM 1644 OE1 GLU B 118 14.050 -9.691 -2.709 1.00 15.00 O ATOM 1645 OE2 GLU B 118 12.424 -9.742 -1.237 1.00 15.00 O1- ATOM 0 H GLU B 118 13.539 -8.974 1.694 1.00 15.00 H new ATOM 0 HA GLU B 118 12.380 -11.348 0.762 1.00 15.00 H new ATOM 0 HB2 GLU B 118 14.896 -9.936 0.619 1.00 15.00 H new ATOM 0 HB3 GLU B 118 15.221 -11.629 0.937 1.00 15.00 H new ATOM 0 HG2 GLU B 118 15.198 -11.450 -1.415 1.00 15.00 H new ATOM 0 HG3 GLU B 118 13.657 -12.178 -1.007 1.00 15.00 H new ATOM 1652 N ALA B 119 13.910 -11.601 3.638 1.00 15.00 N ATOM 1653 CA ALA B 119 14.133 -12.487 4.771 1.00 15.00 C ATOM 1654 C ALA B 119 12.836 -12.742 5.533 1.00 15.00 C ATOM 1655 O ALA B 119 12.547 -13.874 5.929 1.00 15.00 O ATOM 1656 CB ALA B 119 15.183 -11.898 5.698 1.00 15.00 C ATOM 0 H ALA B 119 14.182 -10.631 3.799 1.00 15.00 H new ATOM 0 HA ALA B 119 14.493 -13.443 4.389 1.00 15.00 H new ATOM 0 HB1 ALA B 119 15.341 -12.570 6.542 1.00 15.00 H new ATOM 0 HB2 ALA B 119 16.119 -11.772 5.154 1.00 15.00 H new ATOM 0 HB3 ALA B 119 14.843 -10.929 6.064 1.00 15.00 H new ATOM 1662 N ALA B 120 12.054 -11.686 5.725 1.00 15.00 N ATOM 1663 CA ALA B 120 10.789 -11.779 6.446 1.00 15.00 C ATOM 1664 C ALA B 120 9.727 -12.512 5.635 1.00 15.00 C ATOM 1665 O ALA B 120 8.749 -13.006 6.189 1.00 15.00 O ATOM 1666 CB ALA B 120 10.297 -10.389 6.828 1.00 15.00 C ATOM 0 H ALA B 120 12.276 -10.749 5.389 1.00 15.00 H new ATOM 0 HA ALA B 120 10.968 -12.358 7.352 1.00 15.00 H new ATOM 0 HB1 ALA B 120 9.352 -10.472 7.365 1.00 15.00 H new ATOM 0 HB2 ALA B 120 11.036 -9.904 7.466 1.00 15.00 H new ATOM 0 HB3 ALA B 120 10.150 -9.794 5.926 1.00 15.00 H new ATOM 1672 N GLU B 121 9.935 -12.595 4.326 1.00 15.00 N ATOM 1673 CA GLU B 121 8.997 -13.258 3.424 1.00 15.00 C ATOM 1674 C GLU B 121 8.767 -14.722 3.817 1.00 15.00 C ATOM 1675 O GLU B 121 7.788 -15.339 3.392 1.00 15.00 O ATOM 1676 CB GLU B 121 9.515 -13.175 1.987 1.00 15.00 C ATOM 1677 CG GLU B 121 8.503 -13.613 0.941 1.00 15.00 C ATOM 1678 CD GLU B 121 8.982 -13.355 -0.468 1.00 15.00 C ATOM 1679 OE1 GLU B 121 8.703 -12.261 -0.999 1.00 15.00 O ATOM 1680 OE2 GLU B 121 9.635 -14.244 -1.051 1.00 15.00 O1- ATOM 0 H GLU B 121 10.755 -12.207 3.860 1.00 15.00 H new ATOM 0 HA GLU B 121 8.039 -12.743 3.499 1.00 15.00 H new ATOM 0 HB2 GLU B 121 9.817 -12.149 1.779 1.00 15.00 H new ATOM 0 HB3 GLU B 121 10.407 -13.794 1.897 1.00 15.00 H new ATOM 0 HG2 GLU B 121 8.296 -14.676 1.062 1.00 15.00 H new ATOM 0 HG3 GLU B 121 7.564 -13.085 1.105 1.00 15.00 H new ATOM 1687 N GLU B 122 9.672 -15.269 4.623 1.00 15.00 N ATOM 1688 CA GLU B 122 9.567 -16.652 5.075 1.00 15.00 C ATOM 1689 C GLU B 122 8.280 -16.875 5.877 1.00 15.00 C ATOM 1690 O GLU B 122 7.320 -17.468 5.378 1.00 15.00 O ATOM 1691 CB GLU B 122 10.785 -17.017 5.921 1.00 15.00 C ATOM 1692 CG GLU B 122 10.858 -18.490 6.283 1.00 15.00 C ATOM 1693 CD GLU B 122 11.643 -18.733 7.551 1.00 15.00 C ATOM 1694 OE1 GLU B 122 11.107 -19.389 8.465 1.00 15.00 O ATOM 1695 OE2 GLU B 122 12.792 -18.262 7.645 1.00 15.00 O1- ATOM 0 H GLU B 122 10.490 -14.773 4.978 1.00 15.00 H new ATOM 0 HA GLU B 122 9.533 -17.297 4.197 1.00 15.00 H new ATOM 0 HB2 GLU B 122 11.689 -16.740 5.379 1.00 15.00 H new ATOM 0 HB3 GLU B 122 10.770 -16.427 6.837 1.00 15.00 H new ATOM 0 HG2 GLU B 122 9.848 -18.882 6.403 1.00 15.00 H new ATOM 0 HG3 GLU B 122 11.318 -19.041 5.463 1.00 15.00 H new ATOM 1702 N ALA B 123 8.260 -16.400 7.118 1.00 15.00 N ATOM 1703 CA ALA B 123 7.090 -16.554 7.976 1.00 15.00 C ATOM 1704 C ALA B 123 6.755 -15.252 8.701 1.00 15.00 C ATOM 1705 O ALA B 123 5.756 -15.166 9.414 1.00 15.00 O ATOM 1706 CB ALA B 123 7.317 -17.670 8.981 1.00 15.00 C ATOM 0 H ALA B 123 9.040 -15.906 7.552 1.00 15.00 H new ATOM 0 HA ALA B 123 6.242 -16.812 7.341 1.00 15.00 H new ATOM 0 HB1 ALA B 123 6.436 -17.774 9.615 1.00 15.00 H new ATOM 0 HB2 ALA B 123 7.495 -18.606 8.451 1.00 15.00 H new ATOM 0 HB3 ALA B 123 8.183 -17.432 9.599 1.00 15.00 H new ATOM 1712 N GLU B 124 7.586 -14.238 8.514 1.00 15.00 N ATOM 1713 CA GLU B 124 7.370 -12.947 9.155 1.00 15.00 C ATOM 1714 C GLU B 124 6.636 -11.995 8.217 1.00 15.00 C ATOM 1715 O GLU B 124 6.549 -10.798 8.482 1.00 15.00 O ATOM 1716 CB GLU B 124 8.702 -12.323 9.569 1.00 15.00 C ATOM 1717 CG GLU B 124 9.412 -13.068 10.688 1.00 15.00 C ATOM 1718 CD GLU B 124 9.676 -12.180 11.882 1.00 15.00 C ATOM 1719 OE1 GLU B 124 8.813 -12.118 12.780 1.00 15.00 O ATOM 1720 OE2 GLU B 124 10.743 -11.533 11.929 1.00 15.00 O1- ATOM 0 H GLU B 124 8.417 -14.283 7.924 1.00 15.00 H new ATOM 0 HA GLU B 124 6.760 -13.113 10.043 1.00 15.00 H new ATOM 0 HB2 GLU B 124 9.358 -12.282 8.700 1.00 15.00 H new ATOM 0 HB3 GLU B 124 8.527 -11.294 9.885 1.00 15.00 H new ATOM 0 HG2 GLU B 124 8.807 -13.920 10.997 1.00 15.00 H new ATOM 0 HG3 GLU B 124 10.356 -13.466 10.316 1.00 15.00 H new ATOM 1727 N LEU B 125 6.095 -12.537 7.133 1.00 15.00 N ATOM 1728 CA LEU B 125 5.385 -11.735 6.143 1.00 15.00 C ATOM 1729 C LEU B 125 4.188 -11.026 6.767 1.00 15.00 C ATOM 1730 O LEU B 125 3.877 -9.887 6.416 1.00 15.00 O ATOM 1731 CB LEU B 125 4.931 -12.612 4.974 1.00 15.00 C ATOM 1732 CG LEU B 125 4.450 -11.853 3.734 1.00 15.00 C ATOM 1733 CD1 LEU B 125 5.561 -10.983 3.170 1.00 15.00 C ATOM 1734 CD2 LEU B 125 3.947 -12.829 2.682 1.00 15.00 C ATOM 0 H LEU B 125 6.134 -13.533 6.916 1.00 15.00 H new ATOM 0 HA LEU B 125 6.072 -10.976 5.769 1.00 15.00 H new ATOM 0 HB2 LEU B 125 5.758 -13.260 4.685 1.00 15.00 H new ATOM 0 HB3 LEU B 125 4.125 -13.259 5.319 1.00 15.00 H new ATOM 0 HG LEU B 125 3.626 -11.202 4.026 1.00 15.00 H new ATOM 0 HD11 LEU B 125 5.197 -10.453 2.290 1.00 15.00 H new ATOM 0 HD12 LEU B 125 5.876 -10.261 3.924 1.00 15.00 H new ATOM 0 HD13 LEU B 125 6.408 -11.610 2.892 1.00 15.00 H new ATOM 0 HD21 LEU B 125 3.608 -12.277 1.806 1.00 15.00 H new ATOM 0 HD22 LEU B 125 4.754 -13.503 2.396 1.00 15.00 H new ATOM 0 HD23 LEU B 125 3.118 -13.408 3.089 1.00 15.00 H new ATOM 1746 N GLU B 126 3.532 -11.690 7.710 1.00 15.00 N ATOM 1747 CA GLU B 126 2.375 -11.112 8.381 1.00 15.00 C ATOM 1748 C GLU B 126 2.800 -9.956 9.284 1.00 15.00 C ATOM 1749 O GLU B 126 2.020 -9.043 9.551 1.00 15.00 O ATOM 1750 CB GLU B 126 1.633 -12.178 9.184 1.00 15.00 C ATOM 1751 CG GLU B 126 0.887 -13.180 8.315 1.00 15.00 C ATOM 1752 CD GLU B 126 -0.220 -12.539 7.497 1.00 15.00 C ATOM 1753 OE1 GLU B 126 -1.324 -12.339 8.043 1.00 15.00 O ATOM 1754 OE2 GLU B 126 0.005 -12.237 6.302 1.00 15.00 O1- ATOM 0 H GLU B 126 3.781 -12.627 8.027 1.00 15.00 H new ATOM 0 HA GLU B 126 1.697 -10.721 7.622 1.00 15.00 H new ATOM 0 HB2 GLU B 126 2.347 -12.713 9.811 1.00 15.00 H new ATOM 0 HB3 GLU B 126 0.924 -11.690 9.853 1.00 15.00 H new ATOM 0 HG2 GLU B 126 1.593 -13.668 7.643 1.00 15.00 H new ATOM 0 HG3 GLU B 126 0.461 -13.957 8.949 1.00 15.00 H new ATOM 1761 N ARG B 127 4.043 -9.999 9.752 1.00 15.00 N ATOM 1762 CA ARG B 127 4.565 -8.939 10.601 1.00 15.00 C ATOM 1763 C ARG B 127 5.127 -7.821 9.725 1.00 15.00 C ATOM 1764 O ARG B 127 5.083 -6.647 10.084 1.00 15.00 O ATOM 1765 CB ARG B 127 5.645 -9.472 11.548 1.00 15.00 C ATOM 1766 CG ARG B 127 6.008 -8.492 12.649 1.00 15.00 C ATOM 1767 CD ARG B 127 7.050 -9.061 13.603 1.00 15.00 C ATOM 1768 NE ARG B 127 8.315 -9.373 12.934 1.00 15.00 N ATOM 1769 CZ ARG B 127 9.165 -8.457 12.458 1.00 15.00 C ATOM 1770 NH1 ARG B 127 8.891 -7.156 12.586 1.00 15.00 N1+ ATOM 1771 NH2 ARG B 127 10.292 -8.845 11.873 1.00 15.00 N ATOM 0 H ARG B 127 4.703 -10.752 9.558 1.00 15.00 H new ATOM 0 HA ARG B 127 3.753 -8.547 11.214 1.00 15.00 H new ATOM 0 HB2 ARG B 127 5.298 -10.402 11.998 1.00 15.00 H new ATOM 0 HB3 ARG B 127 6.539 -9.710 10.972 1.00 15.00 H new ATOM 0 HG2 ARG B 127 6.388 -7.573 12.204 1.00 15.00 H new ATOM 0 HG3 ARG B 127 5.111 -8.228 13.209 1.00 15.00 H new ATOM 0 HD2 ARG B 127 7.234 -8.345 14.404 1.00 15.00 H new ATOM 0 HD3 ARG B 127 6.656 -9.965 14.068 1.00 15.00 H new ATOM 0 HE ARG B 127 8.565 -10.356 12.824 1.00 15.00 H new ATOM 0 HH11 ARG B 127 8.031 -6.859 13.048 1.00 15.00 H new ATOM 0 HH12 ARG B 127 9.541 -6.460 12.222 1.00 15.00 H new ATOM 0 HH21 ARG B 127 10.507 -9.839 11.788 1.00 15.00 H new ATOM 0 HH22 ARG B 127 10.943 -8.150 11.509 1.00 15.00 H new ATOM 1785 N LEU B 128 5.638 -8.216 8.561 1.00 15.00 N ATOM 1786 CA LEU B 128 6.206 -7.286 7.589 1.00 15.00 C ATOM 1787 C LEU B 128 5.181 -6.214 7.221 1.00 15.00 C ATOM 1788 O LEU B 128 5.473 -5.020 7.272 1.00 15.00 O ATOM 1789 CB LEU B 128 6.654 -8.076 6.339 1.00 15.00 C ATOM 1790 CG LEU B 128 7.347 -7.293 5.205 1.00 15.00 C ATOM 1791 CD1 LEU B 128 6.337 -6.833 4.158 1.00 15.00 C ATOM 1792 CD2 LEU B 128 8.135 -6.108 5.747 1.00 15.00 C ATOM 0 H LEU B 128 5.670 -9.192 8.265 1.00 15.00 H new ATOM 0 HA LEU B 128 7.072 -6.784 8.021 1.00 15.00 H new ATOM 0 HB2 LEU B 128 7.333 -8.864 6.666 1.00 15.00 H new ATOM 0 HB3 LEU B 128 5.775 -8.566 5.920 1.00 15.00 H new ATOM 0 HG LEU B 128 8.052 -7.972 4.725 1.00 15.00 H new ATOM 0 HD11 LEU B 128 6.854 -6.284 3.371 1.00 15.00 H new ATOM 0 HD12 LEU B 128 5.838 -7.701 3.727 1.00 15.00 H new ATOM 0 HD13 LEU B 128 5.597 -6.185 4.627 1.00 15.00 H new ATOM 0 HD21 LEU B 128 8.610 -5.579 4.921 1.00 15.00 H new ATOM 0 HD22 LEU B 128 7.460 -5.431 6.271 1.00 15.00 H new ATOM 0 HD23 LEU B 128 8.899 -6.465 6.437 1.00 15.00 H new ATOM 1804 N LYS B 129 3.983 -6.651 6.868 1.00 15.00 N ATOM 1805 CA LYS B 129 2.916 -5.731 6.492 1.00 15.00 C ATOM 1806 C LYS B 129 2.548 -4.802 7.648 1.00 15.00 C ATOM 1807 O LYS B 129 2.430 -3.589 7.466 1.00 15.00 O ATOM 1808 CB LYS B 129 1.685 -6.506 6.016 1.00 15.00 C ATOM 1809 CG LYS B 129 1.337 -7.705 6.883 1.00 15.00 C ATOM 1810 CD LYS B 129 0.034 -8.359 6.458 1.00 15.00 C ATOM 1811 CE LYS B 129 0.156 -9.047 5.108 1.00 15.00 C ATOM 1812 NZ LYS B 129 -0.898 -10.076 4.919 1.00 15.00 N1+ ATOM 0 H LYS B 129 3.723 -7.637 6.833 1.00 15.00 H new ATOM 0 HA LYS B 129 3.282 -5.114 5.671 1.00 15.00 H new ATOM 0 HB2 LYS B 129 0.831 -5.830 5.989 1.00 15.00 H new ATOM 0 HB3 LYS B 129 1.855 -6.846 4.994 1.00 15.00 H new ATOM 0 HG2 LYS B 129 2.143 -8.436 6.830 1.00 15.00 H new ATOM 0 HG3 LYS B 129 1.261 -7.389 7.924 1.00 15.00 H new ATOM 0 HD2 LYS B 129 -0.268 -9.088 7.210 1.00 15.00 H new ATOM 0 HD3 LYS B 129 -0.752 -7.605 6.411 1.00 15.00 H new ATOM 0 HE2 LYS B 129 0.086 -8.304 4.313 1.00 15.00 H new ATOM 0 HE3 LYS B 129 1.138 -9.512 5.024 1.00 15.00 H new ATOM 0 HZ1 LYS B 129 -1.210 -10.075 3.927 1.00 15.00 H new ATOM 0 HZ2 LYS B 129 -0.516 -11.013 5.161 1.00 15.00 H new ATOM 0 HZ3 LYS B 129 -1.707 -9.862 5.536 1.00 15.00 H new ATOM 1826 N SER B 130 2.381 -5.369 8.839 1.00 15.00 N ATOM 1827 CA SER B 130 2.023 -4.584 10.013 1.00 15.00 C ATOM 1828 C SER B 130 3.107 -3.552 10.345 1.00 15.00 C ATOM 1829 O SER B 130 2.805 -2.402 10.675 1.00 15.00 O ATOM 1830 CB SER B 130 1.800 -5.506 11.209 1.00 15.00 C ATOM 1831 OG SER B 130 1.042 -6.647 10.839 1.00 15.00 O ATOM 0 H SER B 130 2.488 -6.368 9.015 1.00 15.00 H new ATOM 0 HA SER B 130 1.101 -4.047 9.791 1.00 15.00 H new ATOM 0 HB2 SER B 130 2.762 -5.820 11.614 1.00 15.00 H new ATOM 0 HB3 SER B 130 1.283 -4.963 12.000 1.00 15.00 H new ATOM 0 HG SER B 130 1.642 -7.340 10.492 1.00 15.00 H new ATOM 1837 N GLU B 131 4.366 -3.967 10.241 1.00 15.00 N ATOM 1838 CA GLU B 131 5.492 -3.088 10.535 1.00 15.00 C ATOM 1839 C GLU B 131 5.566 -1.944 9.527 1.00 15.00 C ATOM 1840 O GLU B 131 5.806 -0.794 9.894 1.00 15.00 O ATOM 1841 CB GLU B 131 6.801 -3.881 10.524 1.00 15.00 C ATOM 1842 CG GLU B 131 7.988 -3.109 11.074 1.00 15.00 C ATOM 1843 CD GLU B 131 9.304 -3.830 10.872 1.00 15.00 C ATOM 1844 OE1 GLU B 131 9.699 -4.621 11.759 1.00 15.00 O ATOM 1845 OE2 GLU B 131 9.953 -3.603 9.831 1.00 15.00 O1- ATOM 0 H GLU B 131 4.632 -4.909 9.955 1.00 15.00 H new ATOM 0 HA GLU B 131 5.342 -2.664 11.528 1.00 15.00 H new ATOM 0 HB2 GLU B 131 6.669 -4.791 11.109 1.00 15.00 H new ATOM 0 HB3 GLU B 131 7.021 -4.188 9.501 1.00 15.00 H new ATOM 0 HG2 GLU B 131 8.036 -2.133 10.591 1.00 15.00 H new ATOM 0 HG3 GLU B 131 7.837 -2.930 12.139 1.00 15.00 H new ATOM 1852 N ARG B 132 5.342 -2.272 8.257 1.00 15.00 N ATOM 1853 CA ARG B 132 5.388 -1.289 7.179 1.00 15.00 C ATOM 1854 C ARG B 132 4.419 -0.138 7.426 1.00 15.00 C ATOM 1855 O ARG B 132 4.759 1.025 7.208 1.00 15.00 O ATOM 1856 CB ARG B 132 5.059 -1.945 5.840 1.00 15.00 C ATOM 1857 CG ARG B 132 6.232 -2.667 5.199 1.00 15.00 C ATOM 1858 CD ARG B 132 6.490 -2.163 3.786 1.00 15.00 C ATOM 1859 NE ARG B 132 7.184 -0.874 3.782 1.00 15.00 N ATOM 1860 CZ ARG B 132 6.583 0.301 3.587 1.00 15.00 C ATOM 1861 NH1 ARG B 132 5.273 0.366 3.379 1.00 15.00 N1+ ATOM 1862 NH2 ARG B 132 7.291 1.422 3.610 1.00 15.00 N ATOM 0 H ARG B 132 5.125 -3.220 7.948 1.00 15.00 H new ATOM 0 HA ARG B 132 6.402 -0.889 7.152 1.00 15.00 H new ATOM 0 HB2 ARG B 132 4.245 -2.655 5.986 1.00 15.00 H new ATOM 0 HB3 ARG B 132 4.697 -1.181 5.152 1.00 15.00 H new ATOM 0 HG2 ARG B 132 7.125 -2.524 5.807 1.00 15.00 H new ATOM 0 HG3 ARG B 132 6.032 -3.738 5.174 1.00 15.00 H new ATOM 0 HD2 ARG B 132 7.085 -2.897 3.242 1.00 15.00 H new ATOM 0 HD3 ARG B 132 5.542 -2.066 3.257 1.00 15.00 H new ATOM 0 HE ARG B 132 8.192 -0.874 3.938 1.00 15.00 H new ATOM 0 HH11 ARG B 132 4.715 -0.488 3.367 1.00 15.00 H new ATOM 0 HH12 ARG B 132 4.824 1.270 3.231 1.00 15.00 H new ATOM 0 HH21 ARG B 132 8.297 1.387 3.777 1.00 15.00 H new ATOM 0 HH22 ARG B 132 6.830 2.320 3.461 1.00 15.00 H new ATOM 1876 N HIS B 133 3.216 -0.470 7.882 1.00 15.00 N ATOM 1877 CA HIS B 133 2.187 0.531 8.153 1.00 15.00 C ATOM 1878 C HIS B 133 2.657 1.558 9.182 1.00 15.00 C ATOM 1879 O HIS B 133 2.617 2.762 8.932 1.00 15.00 O ATOM 1880 CB HIS B 133 0.905 -0.142 8.649 1.00 15.00 C ATOM 1881 CG HIS B 133 0.080 -0.770 7.566 1.00 15.00 C ATOM 1882 ND1 HIS B 133 -1.276 -0.559 7.488 1.00 15.00 N ATOM 1883 CD2 HIS B 133 0.454 -1.608 6.571 1.00 15.00 C ATOM 1884 CE1 HIS B 133 -1.696 -1.268 6.453 1.00 15.00 C ATOM 1885 NE2 HIS B 133 -0.680 -1.921 5.871 1.00 15.00 N ATOM 0 H HIS B 133 2.927 -1.429 8.073 1.00 15.00 H new ATOM 0 HA HIS B 133 1.986 1.053 7.217 1.00 15.00 H new ATOM 0 HB2 HIS B 133 1.169 -0.907 9.379 1.00 15.00 H new ATOM 0 HB3 HIS B 133 0.298 0.598 9.169 1.00 15.00 H new ATOM 0 HD2 HIS B 133 1.454 -1.962 6.368 1.00 15.00 H new ATOM 0 HE1 HIS B 133 -2.723 -1.315 6.121 1.00 15.00 H new ATOM 0 HE2 HIS B 133 -0.741 -2.536 5.059 1.00 15.00 H new ATOM 1893 N ASP B 134 3.111 1.077 10.335 1.00 15.00 N ATOM 1894 CA ASP B 134 3.573 1.968 11.400 1.00 15.00 C ATOM 1895 C ASP B 134 4.838 2.706 10.978 1.00 15.00 C ATOM 1896 O ASP B 134 5.020 3.883 11.300 1.00 15.00 O ATOM 1897 CB ASP B 134 3.829 1.185 12.693 1.00 15.00 C ATOM 1898 CG ASP B 134 3.863 2.081 13.922 1.00 15.00 C ATOM 1899 OD1 ASP B 134 4.953 2.575 14.279 1.00 15.00 O ATOM 1900 OD2 ASP B 134 2.796 2.288 14.543 1.00 15.00 O1- ATOM 0 H ASP B 134 3.170 0.083 10.557 1.00 15.00 H new ATOM 0 HA ASP B 134 2.788 2.701 11.586 1.00 15.00 H new ATOM 0 HB2 ASP B 134 3.050 0.432 12.818 1.00 15.00 H new ATOM 0 HB3 ASP B 134 4.776 0.653 12.610 1.00 15.00 H new ATOM 1905 N HIS B 135 5.702 2.015 10.245 1.00 15.00 N ATOM 1906 CA HIS B 135 6.953 2.602 9.776 1.00 15.00 C ATOM 1907 C HIS B 135 6.697 3.781 8.840 1.00 15.00 C ATOM 1908 O HIS B 135 7.262 4.859 9.020 1.00 15.00 O ATOM 1909 CB HIS B 135 7.805 1.550 9.069 1.00 15.00 C ATOM 1910 CG HIS B 135 8.844 0.924 9.954 1.00 15.00 C ATOM 1911 ND1 HIS B 135 10.140 0.752 9.525 1.00 15.00 N ATOM 1912 CD2 HIS B 135 8.734 0.454 11.223 1.00 15.00 C ATOM 1913 CE1 HIS B 135 10.785 0.189 10.532 1.00 15.00 C ATOM 1914 NE2 HIS B 135 9.972 -0.014 11.577 1.00 15.00 N ATOM 0 H HIS B 135 5.560 1.046 9.961 1.00 15.00 H new ATOM 0 HA HIS B 135 7.493 2.971 10.648 1.00 15.00 H new ATOM 0 HB2 HIS B 135 7.153 0.768 8.679 1.00 15.00 H new ATOM 0 HB3 HIS B 135 8.298 2.010 8.213 1.00 15.00 H new ATOM 0 HD2 HIS B 135 7.844 0.450 11.834 1.00 15.00 H new ATOM 0 HE1 HIS B 135 11.832 -0.073 10.515 1.00 15.00 H new ATOM 0 HE2 HIS B 135 10.227 -0.438 12.469 1.00 15.00 H new ATOM 1922 N ASP B 136 5.835 3.578 7.846 1.00 15.00 N ATOM 1923 CA ASP B 136 5.517 4.634 6.886 1.00 15.00 C ATOM 1924 C ASP B 136 4.827 5.798 7.582 1.00 15.00 C ATOM 1925 O ASP B 136 4.984 6.955 7.191 1.00 15.00 O ATOM 1926 CB ASP B 136 4.625 4.100 5.766 1.00 15.00 C ATOM 1927 CG ASP B 136 5.206 4.359 4.388 1.00 15.00 C ATOM 1928 OD1 ASP B 136 5.433 3.381 3.646 1.00 15.00 O ATOM 1929 OD2 ASP B 136 5.436 5.537 4.036 1.00 15.00 O1- ATOM 0 H ASP B 136 5.346 2.697 7.684 1.00 15.00 H new ATOM 0 HA ASP B 136 6.453 4.984 6.451 1.00 15.00 H new ATOM 0 HB2 ASP B 136 4.481 3.028 5.900 1.00 15.00 H new ATOM 0 HB3 ASP B 136 3.642 4.565 5.836 1.00 15.00 H new ATOM 1934 N LYS B 137 4.065 5.482 8.620 1.00 15.00 N ATOM 1935 CA LYS B 137 3.356 6.493 9.393 1.00 15.00 C ATOM 1936 C LYS B 137 4.353 7.429 10.073 1.00 15.00 C ATOM 1937 O LYS B 137 4.175 8.648 10.080 1.00 15.00 O ATOM 1938 CB LYS B 137 2.460 5.820 10.436 1.00 15.00 C ATOM 1939 CG LYS B 137 1.831 6.784 11.429 1.00 15.00 C ATOM 1940 CD LYS B 137 0.971 6.048 12.448 1.00 15.00 C ATOM 1941 CE LYS B 137 1.796 5.096 13.298 1.00 15.00 C ATOM 1942 NZ LYS B 137 0.946 4.209 14.132 1.00 15.00 N1+ ATOM 0 H LYS B 137 3.921 4.527 8.948 1.00 15.00 H new ATOM 0 HA LYS B 137 2.731 7.080 8.721 1.00 15.00 H new ATOM 0 HB2 LYS B 137 1.667 5.276 9.922 1.00 15.00 H new ATOM 0 HB3 LYS B 137 3.048 5.084 10.984 1.00 15.00 H new ATOM 0 HG2 LYS B 137 2.614 7.340 11.945 1.00 15.00 H new ATOM 0 HG3 LYS B 137 1.222 7.513 10.895 1.00 15.00 H new ATOM 0 HD2 LYS B 137 0.472 6.771 13.093 1.00 15.00 H new ATOM 0 HD3 LYS B 137 0.191 5.490 11.930 1.00 15.00 H new ATOM 0 HE2 LYS B 137 2.427 4.488 12.650 1.00 15.00 H new ATOM 0 HE3 LYS B 137 2.461 5.671 13.943 1.00 15.00 H new ATOM 0 HZ1 LYS B 137 1.543 3.500 14.604 1.00 15.00 H new ATOM 0 HZ2 LYS B 137 0.451 4.777 14.849 1.00 15.00 H new ATOM 0 HZ3 LYS B 137 0.249 3.728 13.528 1.00 15.00 H new ATOM 1956 N LYS B 138 5.413 6.850 10.623 1.00 15.00 N ATOM 1957 CA LYS B 138 6.446 7.624 11.296 1.00 15.00 C ATOM 1958 C LYS B 138 7.334 8.320 10.267 1.00 15.00 C ATOM 1959 O LYS B 138 7.895 9.387 10.528 1.00 15.00 O ATOM 1960 CB LYS B 138 7.289 6.712 12.195 1.00 15.00 C ATOM 1961 CG LYS B 138 8.335 7.454 13.006 1.00 15.00 C ATOM 1962 CD LYS B 138 7.704 8.269 14.120 1.00 15.00 C ATOM 1963 CE LYS B 138 8.663 9.326 14.637 1.00 15.00 C ATOM 1964 NZ LYS B 138 9.928 8.732 15.147 1.00 15.00 N1+ ATOM 0 H LYS B 138 5.579 5.844 10.616 1.00 15.00 H new ATOM 0 HA LYS B 138 5.969 8.382 11.917 1.00 15.00 H new ATOM 0 HB2 LYS B 138 6.628 6.175 12.875 1.00 15.00 H new ATOM 0 HB3 LYS B 138 7.785 5.964 11.576 1.00 15.00 H new ATOM 0 HG2 LYS B 138 9.040 6.740 13.431 1.00 15.00 H new ATOM 0 HG3 LYS B 138 8.905 8.113 12.350 1.00 15.00 H new ATOM 0 HD2 LYS B 138 6.795 8.746 13.755 1.00 15.00 H new ATOM 0 HD3 LYS B 138 7.412 7.609 14.937 1.00 15.00 H new ATOM 0 HE2 LYS B 138 8.890 10.031 13.837 1.00 15.00 H new ATOM 0 HE3 LYS B 138 8.182 9.893 15.434 1.00 15.00 H new ATOM 0 HZ1 LYS B 138 10.510 9.476 15.582 1.00 15.00 H new ATOM 0 HZ2 LYS B 138 9.708 8.004 15.857 1.00 15.00 H new ATOM 0 HZ3 LYS B 138 10.451 8.300 14.359 1.00 15.00 H new ATOM 1978 N GLU B 139 7.435 7.715 9.088 1.00 15.00 N ATOM 1979 CA GLU B 139 8.243 8.255 8.003 1.00 15.00 C ATOM 1980 C GLU B 139 7.733 9.617 7.551 1.00 15.00 C ATOM 1981 O GLU B 139 8.479 10.394 6.961 1.00 15.00 O ATOM 1982 CB GLU B 139 8.245 7.294 6.820 1.00 15.00 C ATOM 1983 CG GLU B 139 9.380 6.286 6.863 1.00 15.00 C ATOM 1984 CD GLU B 139 10.458 6.583 5.845 1.00 15.00 C ATOM 1985 OE1 GLU B 139 11.149 7.614 5.980 1.00 15.00 O ATOM 1986 OE2 GLU B 139 10.624 5.784 4.905 1.00 15.00 O1- ATOM 0 H GLU B 139 6.961 6.841 8.859 1.00 15.00 H new ATOM 0 HA GLU B 139 9.259 8.377 8.378 1.00 15.00 H new ATOM 0 HB2 GLU B 139 7.295 6.760 6.794 1.00 15.00 H new ATOM 0 HB3 GLU B 139 8.313 7.868 5.896 1.00 15.00 H new ATOM 0 HG2 GLU B 139 9.819 6.280 7.861 1.00 15.00 H new ATOM 0 HG3 GLU B 139 8.981 5.287 6.684 1.00 15.00 H new ATOM 1993 N ALA B 140 6.462 9.900 7.823 1.00 15.00 N ATOM 1994 CA ALA B 140 5.865 11.174 7.447 1.00 15.00 C ATOM 1995 C ALA B 140 6.644 12.336 8.058 1.00 15.00 C ATOM 1996 O ALA B 140 6.965 13.307 7.374 1.00 15.00 O ATOM 1997 CB ALA B 140 4.406 11.222 7.884 1.00 15.00 C ATOM 0 H ALA B 140 5.827 9.262 8.303 1.00 15.00 H new ATOM 0 HA ALA B 140 5.908 11.268 6.362 1.00 15.00 H new ATOM 0 HB1 ALA B 140 3.972 12.180 7.597 1.00 15.00 H new ATOM 0 HB2 ALA B 140 3.855 10.414 7.402 1.00 15.00 H new ATOM 0 HB3 ALA B 140 4.346 11.106 8.966 1.00 15.00 H new ATOM 2003 N GLU B 141 6.964 12.213 9.341 1.00 15.00 N ATOM 2004 CA GLU B 141 7.711 13.242 10.055 1.00 15.00 C ATOM 2005 C GLU B 141 9.154 13.305 9.564 1.00 15.00 C ATOM 2006 O GLU B 141 9.736 14.384 9.444 1.00 15.00 O ATOM 2007 CB GLU B 141 7.699 12.964 11.561 1.00 15.00 C ATOM 2008 CG GLU B 141 6.586 13.671 12.316 1.00 15.00 C ATOM 2009 CD GLU B 141 5.205 13.211 11.901 1.00 15.00 C ATOM 2010 OE1 GLU B 141 4.403 14.057 11.451 1.00 15.00 O ATOM 2011 OE2 GLU B 141 4.906 12.006 12.034 1.00 15.00 O1- ATOM 0 H GLU B 141 6.716 11.405 9.912 1.00 15.00 H new ATOM 0 HA GLU B 141 7.229 14.200 9.860 1.00 15.00 H new ATOM 0 HB2 GLU B 141 7.605 11.890 11.720 1.00 15.00 H new ATOM 0 HB3 GLU B 141 8.658 13.266 11.983 1.00 15.00 H new ATOM 0 HG2 GLU B 141 6.714 13.500 13.385 1.00 15.00 H new ATOM 0 HG3 GLU B 141 6.669 14.745 12.153 1.00 15.00 H new ATOM 2018 N ARG B 142 9.721 12.140 9.274 1.00 15.00 N ATOM 2019 CA ARG B 142 11.100 12.055 8.807 1.00 15.00 C ATOM 2020 C ARG B 142 11.250 12.656 7.411 1.00 15.00 C ATOM 2021 O ARG B 142 12.016 13.599 7.214 1.00 15.00 O ATOM 2022 CB ARG B 142 11.583 10.597 8.804 1.00 15.00 C ATOM 2023 CG ARG B 142 13.052 10.449 8.425 1.00 15.00 C ATOM 2024 CD ARG B 142 13.576 9.041 8.687 1.00 15.00 C ATOM 2025 NE ARG B 142 13.231 8.102 7.615 1.00 15.00 N ATOM 2026 CZ ARG B 142 14.103 7.275 7.032 1.00 15.00 C ATOM 2027 NH1 ARG B 142 15.378 7.271 7.406 1.00 15.00 N1+ ATOM 2028 NH2 ARG B 142 13.691 6.441 6.085 1.00 15.00 N ATOM 0 H ARG B 142 9.247 11.240 9.354 1.00 15.00 H new ATOM 0 HA ARG B 142 11.717 12.631 9.497 1.00 15.00 H new ATOM 0 HB2 ARG B 142 11.425 10.167 9.793 1.00 15.00 H new ATOM 0 HB3 ARG B 142 10.975 10.022 8.106 1.00 15.00 H new ATOM 0 HG2 ARG B 142 13.179 10.692 7.370 1.00 15.00 H new ATOM 0 HG3 ARG B 142 13.646 11.167 8.991 1.00 15.00 H new ATOM 0 HD2 ARG B 142 14.660 9.076 8.800 1.00 15.00 H new ATOM 0 HD3 ARG B 142 13.169 8.676 9.630 1.00 15.00 H new ATOM 0 HE ARG B 142 12.263 8.079 7.294 1.00 15.00 H new ATOM 0 HH11 ARG B 142 15.696 7.902 8.142 1.00 15.00 H new ATOM 0 HH12 ARG B 142 16.039 6.637 6.957 1.00 15.00 H new ATOM 0 HH21 ARG B 142 12.710 6.433 5.804 1.00 15.00 H new ATOM 0 HH22 ARG B 142 14.355 5.809 5.638 1.00 15.00 H new ATOM 2042 N LYS B 143 10.480 12.130 6.465 1.00 15.00 N ATOM 2043 CA LYS B 143 10.534 12.577 5.076 1.00 15.00 C ATOM 2044 C LYS B 143 10.137 14.040 4.926 1.00 15.00 C ATOM 2045 O LYS B 143 10.512 14.684 3.944 1.00 15.00 O ATOM 2046 CB LYS B 143 9.638 11.699 4.199 1.00 15.00 C ATOM 2047 CG LYS B 143 10.230 10.328 3.898 1.00 15.00 C ATOM 2048 CD LYS B 143 11.430 10.429 2.968 1.00 15.00 C ATOM 2049 CE LYS B 143 12.158 9.100 2.839 1.00 15.00 C ATOM 2050 NZ LYS B 143 12.793 8.688 4.118 1.00 15.00 N1+ ATOM 0 H LYS B 143 9.804 11.386 6.637 1.00 15.00 H new ATOM 0 HA LYS B 143 11.569 12.482 4.748 1.00 15.00 H new ATOM 0 HB2 LYS B 143 8.676 11.569 4.694 1.00 15.00 H new ATOM 0 HB3 LYS B 143 9.446 12.216 3.259 1.00 15.00 H new ATOM 0 HG2 LYS B 143 10.530 9.848 4.829 1.00 15.00 H new ATOM 0 HG3 LYS B 143 9.469 9.694 3.443 1.00 15.00 H new ATOM 0 HD2 LYS B 143 11.100 10.760 1.983 1.00 15.00 H new ATOM 0 HD3 LYS B 143 12.119 11.186 3.344 1.00 15.00 H new ATOM 0 HE2 LYS B 143 11.455 8.331 2.519 1.00 15.00 H new ATOM 0 HE3 LYS B 143 12.920 9.178 2.064 1.00 15.00 H new ATOM 0 HZ1 LYS B 143 13.561 8.014 3.923 1.00 15.00 H new ATOM 0 HZ2 LYS B 143 13.180 9.525 4.599 1.00 15.00 H new ATOM 0 HZ3 LYS B 143 12.083 8.236 4.728 1.00 15.00 H new ATOM 2064 N ALA B 144 9.381 14.558 5.888 1.00 15.00 N ATOM 2065 CA ALA B 144 8.951 15.948 5.857 1.00 15.00 C ATOM 2066 C ALA B 144 10.156 16.878 5.808 1.00 15.00 C ATOM 2067 O ALA B 144 10.211 17.797 4.992 1.00 15.00 O ATOM 2068 CB ALA B 144 8.081 16.265 7.065 1.00 15.00 C ATOM 0 H ALA B 144 9.054 14.034 6.699 1.00 15.00 H new ATOM 0 HA ALA B 144 8.358 16.105 4.956 1.00 15.00 H new ATOM 0 HB1 ALA B 144 7.769 17.309 7.025 1.00 15.00 H new ATOM 0 HB2 ALA B 144 7.201 15.622 7.058 1.00 15.00 H new ATOM 0 HB3 ALA B 144 8.650 16.091 7.979 1.00 15.00 H new ATOM 2074 N LEU B 145 11.113 16.641 6.699 1.00 15.00 N ATOM 2075 CA LEU B 145 12.324 17.453 6.756 1.00 15.00 C ATOM 2076 C LEU B 145 13.444 16.857 5.902 1.00 15.00 C ATOM 2077 O LEU B 145 14.219 17.591 5.286 1.00 15.00 O ATOM 2078 CB LEU B 145 12.810 17.608 8.206 1.00 15.00 C ATOM 2079 CG LEU B 145 12.070 18.655 9.052 1.00 15.00 C ATOM 2080 CD1 LEU B 145 11.812 19.923 8.248 1.00 15.00 C ATOM 2081 CD2 LEU B 145 10.768 18.084 9.594 1.00 15.00 C ATOM 0 H LEU B 145 11.074 15.893 7.392 1.00 15.00 H new ATOM 0 HA LEU B 145 12.070 18.434 6.355 1.00 15.00 H new ATOM 0 HB2 LEU B 145 12.725 16.641 8.703 1.00 15.00 H new ATOM 0 HB3 LEU B 145 13.869 17.865 8.189 1.00 15.00 H new ATOM 0 HG LEU B 145 12.706 18.918 9.897 1.00 15.00 H new ATOM 0 HD11 LEU B 145 11.287 20.648 8.870 1.00 15.00 H new ATOM 0 HD12 LEU B 145 12.762 20.346 7.921 1.00 15.00 H new ATOM 0 HD13 LEU B 145 11.202 19.684 7.377 1.00 15.00 H new ATOM 0 HD21 LEU B 145 10.259 18.841 10.190 1.00 15.00 H new ATOM 0 HD22 LEU B 145 10.128 17.786 8.764 1.00 15.00 H new ATOM 0 HD23 LEU B 145 10.983 17.216 10.217 1.00 15.00 H new ATOM 2093 N GLU B 146 13.509 15.531 5.863 1.00 15.00 N ATOM 2094 CA GLU B 146 14.553 14.809 5.130 1.00 15.00 C ATOM 2095 C GLU B 146 14.581 15.155 3.640 1.00 15.00 C ATOM 2096 O GLU B 146 15.599 15.629 3.128 1.00 15.00 O ATOM 2097 CB GLU B 146 14.346 13.303 5.307 1.00 15.00 C ATOM 2098 CG GLU B 146 15.623 12.485 5.249 1.00 15.00 C ATOM 2099 CD GLU B 146 15.400 11.042 5.657 1.00 15.00 C ATOM 2100 OE1 GLU B 146 14.343 10.477 5.303 1.00 15.00 O ATOM 2101 OE2 GLU B 146 16.285 10.467 6.335 1.00 15.00 O1- ATOM 0 H GLU B 146 12.842 14.923 6.337 1.00 15.00 H new ATOM 0 HA GLU B 146 15.513 15.116 5.545 1.00 15.00 H new ATOM 0 HB2 GLU B 146 13.858 13.126 6.265 1.00 15.00 H new ATOM 0 HB3 GLU B 146 13.666 12.948 4.533 1.00 15.00 H new ATOM 0 HG2 GLU B 146 16.026 12.516 4.237 1.00 15.00 H new ATOM 0 HG3 GLU B 146 16.370 12.934 5.904 1.00 15.00 H new ATOM 2108 N ASP B 147 13.459 14.958 2.954 1.00 15.00 N ATOM 2109 CA ASP B 147 13.387 15.224 1.515 1.00 15.00 C ATOM 2110 C ASP B 147 13.278 16.721 1.236 1.00 15.00 C ATOM 2111 O ASP B 147 13.390 17.168 0.090 1.00 15.00 O ATOM 2112 CB ASP B 147 12.205 14.480 0.891 1.00 15.00 C ATOM 2113 CG ASP B 147 12.368 14.301 -0.610 1.00 15.00 C ATOM 2114 OD1 ASP B 147 13.363 13.678 -1.034 1.00 15.00 O ATOM 2115 OD2 ASP B 147 11.493 14.775 -1.374 1.00 15.00 O1- ATOM 0 H ASP B 147 12.590 14.617 3.365 1.00 15.00 H new ATOM 0 HA ASP B 147 14.309 14.861 1.061 1.00 15.00 H new ATOM 0 HB2 ASP B 147 12.103 13.503 1.363 1.00 15.00 H new ATOM 0 HB3 ASP B 147 11.285 15.029 1.092 1.00 15.00 H new ATOM 2120 N LYS B 148 13.058 17.489 2.291 1.00 15.00 N ATOM 2121 CA LYS B 148 12.944 18.934 2.177 1.00 15.00 C ATOM 2122 C LYS B 148 14.327 19.571 2.144 1.00 15.00 C ATOM 2123 O LYS B 148 14.604 20.449 1.325 1.00 15.00 O ATOM 2124 CB LYS B 148 12.144 19.488 3.352 1.00 15.00 C ATOM 2125 CG LYS B 148 11.833 20.970 3.236 1.00 15.00 C ATOM 2126 CD LYS B 148 11.437 21.564 4.579 1.00 15.00 C ATOM 2127 CE LYS B 148 10.877 22.970 4.424 1.00 15.00 C ATOM 2128 NZ LYS B 148 10.736 23.657 5.736 1.00 15.00 N1+ ATOM 0 H LYS B 148 12.954 17.133 3.241 1.00 15.00 H new ATOM 0 HA LYS B 148 12.425 19.173 1.249 1.00 15.00 H new ATOM 0 HB2 LYS B 148 11.208 18.935 3.436 1.00 15.00 H new ATOM 0 HB3 LYS B 148 12.700 19.314 4.273 1.00 15.00 H new ATOM 0 HG2 LYS B 148 12.705 21.496 2.847 1.00 15.00 H new ATOM 0 HG3 LYS B 148 11.025 21.118 2.519 1.00 15.00 H new ATOM 0 HD2 LYS B 148 10.693 20.925 5.055 1.00 15.00 H new ATOM 0 HD3 LYS B 148 12.305 21.588 5.238 1.00 15.00 H new ATOM 0 HE2 LYS B 148 11.533 23.553 3.777 1.00 15.00 H new ATOM 0 HE3 LYS B 148 9.905 22.922 3.933 1.00 15.00 H new ATOM 0 HZ1 LYS B 148 10.352 24.612 5.588 1.00 15.00 H new ATOM 0 HZ2 LYS B 148 10.090 23.114 6.344 1.00 15.00 H new ATOM 0 HZ3 LYS B 148 11.667 23.726 6.194 1.00 15.00 H new ATOM 2142 N LEU B 149 15.187 19.119 3.045 1.00 15.00 N ATOM 2143 CA LEU B 149 16.544 19.632 3.138 1.00 15.00 C ATOM 2144 C LEU B 149 17.449 18.936 2.128 1.00 15.00 C ATOM 2145 O LEU B 149 18.111 19.586 1.318 1.00 15.00 O ATOM 2146 CB LEU B 149 17.085 19.440 4.560 1.00 15.00 C ATOM 2147 CG LEU B 149 18.476 20.024 4.816 1.00 15.00 C ATOM 2148 CD1 LEU B 149 18.444 21.542 4.728 1.00 15.00 C ATOM 2149 CD2 LEU B 149 19.003 19.571 6.170 1.00 15.00 C ATOM 0 H LEU B 149 14.966 18.393 3.726 1.00 15.00 H new ATOM 0 HA LEU B 149 16.529 20.698 2.909 1.00 15.00 H new ATOM 0 HB2 LEU B 149 16.384 19.893 5.262 1.00 15.00 H new ATOM 0 HB3 LEU B 149 17.111 18.373 4.780 1.00 15.00 H new ATOM 0 HG LEU B 149 19.153 19.654 4.046 1.00 15.00 H new ATOM 0 HD11 LEU B 149 19.442 21.938 4.913 1.00 15.00 H new ATOM 0 HD12 LEU B 149 18.113 21.842 3.734 1.00 15.00 H new ATOM 0 HD13 LEU B 149 17.754 21.935 5.474 1.00 15.00 H new ATOM 0 HD21 LEU B 149 19.993 19.996 6.336 1.00 15.00 H new ATOM 0 HD22 LEU B 149 18.327 19.909 6.955 1.00 15.00 H new ATOM 0 HD23 LEU B 149 19.067 18.483 6.190 1.00 15.00 H new ATOM 2161 N ALA B 150 17.458 17.613 2.160 1.00 15.00 N ATOM 2162 CA ALA B 150 18.290 16.837 1.255 1.00 15.00 C ATOM 2163 C ALA B 150 17.488 16.397 0.038 1.00 15.00 C ATOM 2164 O ALA B 150 16.862 15.336 0.039 1.00 15.00 O ATOM 2165 CB ALA B 150 18.879 15.634 1.979 1.00 15.00 C ATOM 0 H ALA B 150 16.898 17.054 2.804 1.00 15.00 H new ATOM 0 HA ALA B 150 19.111 17.466 0.911 1.00 15.00 H new ATOM 0 HB1 ALA B 150 19.500 15.062 1.289 1.00 15.00 H new ATOM 0 HB2 ALA B 150 19.487 15.975 2.817 1.00 15.00 H new ATOM 0 HB3 ALA B 150 18.072 15.002 2.350 1.00 15.00 H new ATOM 2171 N ASP B 151 17.503 17.218 -1.000 1.00 15.00 N ATOM 2172 CA ASP B 151 16.768 16.916 -2.222 1.00 15.00 C ATOM 2173 C ASP B 151 17.608 16.077 -3.180 1.00 15.00 C ATOM 2174 O ASP B 151 17.079 15.443 -4.095 1.00 15.00 O ATOM 2175 CB ASP B 151 16.311 18.208 -2.906 1.00 15.00 C ATOM 2176 CG ASP B 151 17.463 19.029 -3.448 1.00 15.00 C ATOM 2177 OD1 ASP B 151 18.254 19.554 -2.634 1.00 15.00 O ATOM 2178 OD2 ASP B 151 17.571 19.167 -4.684 1.00 15.00 O1- ATOM 0 H ASP B 151 18.016 18.099 -1.023 1.00 15.00 H new ATOM 0 HA ASP B 151 15.888 16.334 -1.947 1.00 15.00 H new ATOM 0 HB2 ASP B 151 15.633 17.960 -3.722 1.00 15.00 H new ATOM 0 HB3 ASP B 151 15.746 18.810 -2.194 1.00 15.00 H new ATOM 2183 N TYR B 152 18.912 16.057 -2.956 1.00 15.00 N ATOM 2184 CA TYR B 152 19.816 15.291 -3.799 1.00 15.00 C ATOM 2185 C TYR B 152 20.179 13.973 -3.125 1.00 15.00 C ATOM 2186 O TYR B 152 20.608 13.035 -3.831 1.00 15.00 O ATOM 2187 CB TYR B 152 21.083 16.099 -4.100 1.00 15.00 C ATOM 2188 CG TYR B 152 20.831 17.350 -4.916 1.00 15.00 C ATOM 2189 CD1 TYR B 152 21.113 18.611 -4.401 1.00 15.00 C ATOM 2190 CD2 TYR B 152 20.308 17.269 -6.202 1.00 15.00 C ATOM 2191 CE1 TYR B 152 20.877 19.754 -5.144 1.00 15.00 C ATOM 2192 CE2 TYR B 152 20.073 18.409 -6.948 1.00 15.00 C ATOM 2193 CZ TYR B 152 20.358 19.645 -6.414 1.00 15.00 C ATOM 2194 OH TYR B 152 20.116 20.777 -7.157 1.00 15.00 O ATOM 2195 OXT TYR B 152 20.025 13.879 -1.890 1.00 15.00 O1- ATOM 0 H TYR B 152 19.369 16.563 -2.197 1.00 15.00 H new ATOM 0 HA TYR B 152 19.311 15.075 -4.740 1.00 15.00 H new ATOM 0 HB2 TYR B 152 21.556 16.380 -3.159 1.00 15.00 H new ATOM 0 HB3 TYR B 152 21.789 15.464 -4.635 1.00 15.00 H new ATOM 0 HD1 TYR B 152 21.523 18.699 -3.406 1.00 15.00 H new ATOM 0 HD2 TYR B 152 20.082 16.301 -6.624 1.00 15.00 H new ATOM 0 HE1 TYR B 152 21.099 20.726 -4.730 1.00 15.00 H new ATOM 0 HE2 TYR B 152 19.667 18.330 -7.946 1.00 15.00 H new ATOM 0 HH TYR B 152 19.751 20.523 -8.030 1.00 15.00 H new TER 2205 TYR B 152