USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 821 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 46 ASN : amide:sc= -0.513 K(o=0.7,f=-3.7!) USER MOD Set 1.2: A 47 SER OG : rot 99:sc= 1.22 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -134:sc= 0.559 (180deg=-0.0659) USER MOD Set 2.2: A 74 CYS SG : rot -100:sc= -0.881 USER MOD Single : A 1 SER N :NH3+ 175:sc= 0.164 (180deg=-0.069!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.19) USER MOD Single : A 7 CYS SG : rot -73:sc= -0.537 USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= -0.0877 (180deg=-0.464) USER MOD Single : A 10 MET CE :methyl 149:sc= -0.259 (180deg=-0.994) USER MOD Single : A 11 SER OG : rot -76:sc= 1.23 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.11) USER MOD Single : A 17 GLN : amide:sc= -0.0773 K(o=-0.077,f=-0.61) USER MOD Single : A 19 SER OG : rot -51:sc= 1.07 USER MOD Single : A 23 ASN : amide:sc= -0.0319 X(o=-0.032,f=-0.18) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= -0.0522 (180deg=-0.337) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.61 K(o=-1.6,f=-4.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.43) USER MOD Single : A 58 THR OG1 : rot -18:sc= -0.412 USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 1.47 (180deg=1.33) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 63 THR OG1 : rot 176:sc= 0.512 USER MOD Single : A 70 TYR OH : rot 170:sc= 1.03 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -90:sc= 1.22 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0638) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0.577 K(o=0.58,f=-4.4!) USER MOD Single : B 203 LYS NZ :NH3+ -152:sc= 1.71 (180deg=0.456) USER MOD Single : B 205 LYS NZ :NH3+ -164:sc= -0.134 (180deg=-1.02) USER MOD Single : B 207 THR OG1 : rot -74:sc= 0.948 USER MOD Single : B 208 LYS NZ :NH3+ -174:sc= -0.674! (180deg=-0.843!) USER MOD Single : B 209 THR OG1 : rot 2:sc= 0.936 USER MOD Single : B 211 GLN :FLIP amide:sc=-0.000183 F(o=-1.1,f=-0.00018) USER MOD Single : B 212 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.412 -9.259 -11.630 1.00 0.00 N ATOM 2 CA SER A 1 -13.273 -8.123 -12.563 1.00 0.00 C ATOM 3 C SER A 1 -13.751 -6.817 -11.917 1.00 0.00 C ATOM 4 O SER A 1 -12.988 -5.856 -11.812 1.00 0.00 O ATOM 5 CB SER A 1 -14.063 -8.403 -13.846 1.00 0.00 C ATOM 6 OG SER A 1 -13.895 -7.366 -14.800 1.00 0.00 O ATOM 0 H1 SER A 1 -13.162 -10.142 -12.119 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.777 -9.121 -10.818 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.395 -9.315 -11.295 1.00 0.00 H new ATOM 0 HA SER A 1 -12.218 -8.008 -12.810 1.00 0.00 H new ATOM 0 HB2 SER A 1 -13.736 -9.350 -14.276 1.00 0.00 H new ATOM 0 HB3 SER A 1 -15.121 -8.510 -13.606 1.00 0.00 H new ATOM 0 HG SER A 1 -14.410 -7.577 -15.606 1.00 0.00 H new ATOM 14 N GLU A 2 -15.005 -6.780 -11.469 1.00 0.00 N ATOM 15 CA GLU A 2 -15.574 -5.551 -10.919 1.00 0.00 C ATOM 16 C GLU A 2 -15.494 -5.523 -9.394 1.00 0.00 C ATOM 17 O GLU A 2 -15.794 -4.509 -8.767 1.00 0.00 O ATOM 18 CB GLU A 2 -17.031 -5.384 -11.363 1.00 0.00 C ATOM 19 CG GLU A 2 -17.925 -6.550 -10.978 1.00 0.00 C ATOM 20 CD GLU A 2 -19.391 -6.278 -11.236 1.00 0.00 C ATOM 21 OE1 GLU A 2 -19.817 -6.352 -12.406 1.00 0.00 O ATOM 22 OE2 GLU A 2 -20.131 -5.997 -10.267 1.00 0.00 O ATOM 0 H GLU A 2 -15.641 -7.578 -11.476 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.982 -4.721 -11.306 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.432 -4.470 -10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.059 -5.258 -12.445 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.621 -7.435 -11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.783 -6.777 -9.921 1.00 0.00 H new ATOM 29 N GLU A 3 -15.073 -6.625 -8.796 1.00 0.00 N ATOM 30 CA GLU A 3 -15.044 -6.729 -7.342 1.00 0.00 C ATOM 31 C GLU A 3 -13.875 -5.941 -6.758 1.00 0.00 C ATOM 32 O GLU A 3 -13.852 -5.645 -5.566 1.00 0.00 O ATOM 33 CB GLU A 3 -14.970 -8.188 -6.893 1.00 0.00 C ATOM 34 CG GLU A 3 -13.614 -8.808 -7.113 1.00 0.00 C ATOM 35 CD GLU A 3 -13.343 -9.130 -8.562 1.00 0.00 C ATOM 36 OE1 GLU A 3 -13.749 -10.214 -9.020 1.00 0.00 O ATOM 37 OE2 GLU A 3 -12.730 -8.296 -9.258 1.00 0.00 O ATOM 0 H GLU A 3 -14.748 -7.457 -9.289 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.973 -6.300 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.223 -8.249 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.719 -8.766 -7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.845 -8.127 -6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.538 -9.721 -6.523 1.00 0.00 H new ATOM 44 N GLU A 4 -12.904 -5.613 -7.596 1.00 0.00 N ATOM 45 CA GLU A 4 -11.733 -4.880 -7.137 1.00 0.00 C ATOM 46 C GLU A 4 -11.949 -3.363 -7.210 1.00 0.00 C ATOM 47 O GLU A 4 -11.651 -2.649 -6.253 1.00 0.00 O ATOM 48 CB GLU A 4 -10.484 -5.306 -7.927 1.00 0.00 C ATOM 49 CG GLU A 4 -10.588 -5.072 -9.427 1.00 0.00 C ATOM 50 CD GLU A 4 -9.346 -5.511 -10.170 1.00 0.00 C ATOM 51 OE1 GLU A 4 -9.273 -6.689 -10.577 1.00 0.00 O ATOM 52 OE2 GLU A 4 -8.434 -4.678 -10.356 1.00 0.00 O ATOM 0 H GLU A 4 -12.902 -5.840 -8.590 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.574 -5.129 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.621 -4.761 -7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.297 -6.365 -7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.451 -5.613 -9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.764 -4.013 -9.615 1.00 0.00 H new ATOM 59 N ASP A 5 -12.486 -2.865 -8.326 1.00 0.00 N ATOM 60 CA ASP A 5 -12.614 -1.421 -8.514 1.00 0.00 C ATOM 61 C ASP A 5 -13.951 -0.902 -7.990 1.00 0.00 C ATOM 62 O ASP A 5 -14.127 0.303 -7.805 1.00 0.00 O ATOM 63 CB ASP A 5 -12.412 -1.026 -9.986 1.00 0.00 C ATOM 64 CG ASP A 5 -10.986 -1.249 -10.459 1.00 0.00 C ATOM 65 OD1 ASP A 5 -10.058 -0.612 -9.905 1.00 0.00 O ATOM 66 OD2 ASP A 5 -10.782 -2.038 -11.404 1.00 0.00 O ATOM 0 H ASP A 5 -12.834 -3.430 -9.101 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.824 -0.950 -7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.093 -1.604 -10.610 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.674 0.024 -10.116 1.00 0.00 H new ATOM 71 N LYS A 6 -14.892 -1.806 -7.742 1.00 0.00 N ATOM 72 CA LYS A 6 -16.200 -1.422 -7.224 1.00 0.00 C ATOM 73 C LYS A 6 -16.406 -2.051 -5.848 1.00 0.00 C ATOM 74 O LYS A 6 -17.506 -2.455 -5.474 1.00 0.00 O ATOM 75 CB LYS A 6 -17.303 -1.829 -8.212 1.00 0.00 C ATOM 76 CG LYS A 6 -18.687 -1.301 -7.858 1.00 0.00 C ATOM 77 CD LYS A 6 -19.647 -1.382 -9.038 1.00 0.00 C ATOM 78 CE LYS A 6 -19.710 -2.780 -9.631 1.00 0.00 C ATOM 79 NZ LYS A 6 -20.278 -3.775 -8.683 1.00 0.00 N ATOM 0 H LYS A 6 -14.774 -2.808 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.250 -0.339 -7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.034 -1.472 -9.206 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.344 -2.917 -8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.090 -1.873 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.606 -0.266 -7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.644 -1.081 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.335 -0.676 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.315 -2.760 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.708 -3.093 -9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -20.284 -4.715 -9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.697 -3.804 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -21.251 -3.503 -8.436 1.00 0.00 H new ATOM 93 N CYS A 7 -15.314 -2.146 -5.111 1.00 0.00 N ATOM 94 CA CYS A 7 -15.324 -2.749 -3.783 1.00 0.00 C ATOM 95 C CYS A 7 -15.722 -1.724 -2.725 1.00 0.00 C ATOM 96 O CYS A 7 -15.678 -0.514 -2.965 1.00 0.00 O ATOM 97 CB CYS A 7 -13.935 -3.305 -3.457 1.00 0.00 C ATOM 98 SG CYS A 7 -13.898 -4.453 -2.060 1.00 0.00 S ATOM 0 H CYS A 7 -14.398 -1.811 -5.410 1.00 0.00 H new ATOM 0 HA CYS A 7 -16.055 -3.557 -3.778 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.544 -3.813 -4.339 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.264 -2.472 -3.245 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.053 -3.792 -0.951 1.00 0.00 H new ATOM 104 N LYS A 8 -16.123 -2.223 -1.562 1.00 0.00 N ATOM 105 CA LYS A 8 -16.403 -1.382 -0.408 1.00 0.00 C ATOM 106 C LYS A 8 -15.157 -1.281 0.472 1.00 0.00 C ATOM 107 O LYS A 8 -14.287 -2.155 0.423 1.00 0.00 O ATOM 108 CB LYS A 8 -17.573 -1.951 0.401 1.00 0.00 C ATOM 109 CG LYS A 8 -18.949 -1.539 -0.101 1.00 0.00 C ATOM 110 CD LYS A 8 -19.244 -2.077 -1.492 1.00 0.00 C ATOM 111 CE LYS A 8 -20.650 -1.712 -1.940 1.00 0.00 C ATOM 112 NZ LYS A 8 -21.681 -2.207 -0.989 1.00 0.00 N ATOM 0 H LYS A 8 -16.262 -3.219 -1.394 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.678 -0.387 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.508 -3.039 0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.469 -1.633 1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.709 -1.899 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.018 -0.451 -0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.519 -1.676 -2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.129 -3.161 -1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.732 -0.629 -2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.837 -2.132 -2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.612 -2.200 -1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.446 -3.177 -0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.706 -1.590 -0.152 1.00 0.00 H new ATOM 126 N PRO A 9 -15.051 -0.213 1.285 1.00 0.00 N ATOM 127 CA PRO A 9 -13.886 0.013 2.144 1.00 0.00 C ATOM 128 C PRO A 9 -13.730 -1.056 3.213 1.00 0.00 C ATOM 129 O PRO A 9 -14.715 -1.596 3.720 1.00 0.00 O ATOM 130 CB PRO A 9 -14.156 1.354 2.823 1.00 0.00 C ATOM 131 CG PRO A 9 -15.312 1.967 2.103 1.00 0.00 C ATOM 132 CD PRO A 9 -16.059 0.848 1.433 1.00 0.00 C ATOM 0 HA PRO A 9 -12.971 -0.009 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.386 1.215 3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.279 1.999 2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.960 2.500 2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.966 2.694 1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.904 0.515 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.459 1.157 0.467 1.00 0.00 H new ATOM 140 N MET A 10 -12.488 -1.345 3.557 1.00 0.00 N ATOM 141 CA MET A 10 -12.191 -2.259 4.643 1.00 0.00 C ATOM 142 C MET A 10 -12.182 -1.502 5.967 1.00 0.00 C ATOM 143 O MET A 10 -12.142 -0.271 5.983 1.00 0.00 O ATOM 144 CB MET A 10 -10.849 -2.955 4.408 1.00 0.00 C ATOM 145 CG MET A 10 -9.681 -2.001 4.258 1.00 0.00 C ATOM 146 SD MET A 10 -8.117 -2.851 3.981 1.00 0.00 S ATOM 147 CE MET A 10 -8.508 -3.833 2.533 1.00 0.00 C ATOM 0 H MET A 10 -11.665 -0.957 3.096 1.00 0.00 H new ATOM 0 HA MET A 10 -12.965 -3.025 4.682 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.650 -3.630 5.241 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.922 -3.569 3.510 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.874 -1.325 3.425 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.602 -1.387 5.155 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.610 -3.965 1.929 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.882 -4.808 2.845 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.270 -3.324 1.943 1.00 0.00 H new ATOM 157 N SER A 11 -12.217 -2.242 7.062 1.00 0.00 N ATOM 158 CA SER A 11 -12.332 -1.657 8.393 1.00 0.00 C ATOM 159 C SER A 11 -11.039 -0.971 8.843 1.00 0.00 C ATOM 160 O SER A 11 -10.012 -1.048 8.161 1.00 0.00 O ATOM 161 CB SER A 11 -12.728 -2.737 9.404 1.00 0.00 C ATOM 162 OG SER A 11 -11.791 -3.801 9.410 1.00 0.00 O ATOM 0 H SER A 11 -12.167 -3.261 7.057 1.00 0.00 H new ATOM 0 HA SER A 11 -13.106 -0.891 8.345 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.793 -2.300 10.400 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.718 -3.122 9.160 1.00 0.00 H new ATOM 0 HG SER A 11 -11.929 -4.363 8.619 1.00 0.00 H new ATOM 168 N TYR A 12 -11.099 -0.315 9.997 1.00 0.00 N ATOM 169 CA TYR A 12 -9.946 0.386 10.561 1.00 0.00 C ATOM 170 C TYR A 12 -8.812 -0.600 10.845 1.00 0.00 C ATOM 171 O TYR A 12 -7.643 -0.308 10.580 1.00 0.00 O ATOM 172 CB TYR A 12 -10.370 1.119 11.840 1.00 0.00 C ATOM 173 CG TYR A 12 -9.343 2.090 12.383 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.228 1.642 13.074 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.506 3.458 12.221 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.301 2.528 13.589 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.584 4.351 12.729 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.484 3.882 13.414 1.00 0.00 C ATOM 179 OH TYR A 12 -6.564 4.772 13.923 1.00 0.00 O ATOM 0 H TYR A 12 -11.943 -0.253 10.567 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.579 1.119 9.842 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.294 1.662 11.642 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.593 0.380 12.609 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.081 0.581 13.212 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.369 3.831 11.689 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.438 2.161 14.125 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.724 5.413 12.590 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.842 5.687 13.711 1.00 0.00 H new ATOM 189 N GLU A 13 -9.173 -1.777 11.352 1.00 0.00 N ATOM 190 CA GLU A 13 -8.196 -2.819 11.659 1.00 0.00 C ATOM 191 C GLU A 13 -7.448 -3.198 10.382 1.00 0.00 C ATOM 192 O GLU A 13 -6.221 -3.288 10.360 1.00 0.00 O ATOM 193 CB GLU A 13 -8.907 -4.057 12.235 1.00 0.00 C ATOM 194 CG GLU A 13 -8.072 -4.885 13.215 1.00 0.00 C ATOM 195 CD GLU A 13 -6.693 -5.244 12.695 1.00 0.00 C ATOM 196 OE1 GLU A 13 -6.560 -6.273 12.002 1.00 0.00 O ATOM 197 OE2 GLU A 13 -5.730 -4.508 12.998 1.00 0.00 O ATOM 0 H GLU A 13 -10.138 -2.033 11.559 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.489 -2.445 12.400 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.817 -3.733 12.740 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.213 -4.699 11.409 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.965 -4.329 14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.611 -5.803 13.452 1.00 0.00 H new ATOM 204 N GLU A 14 -8.206 -3.367 9.308 1.00 0.00 N ATOM 205 CA GLU A 14 -7.654 -3.833 8.041 1.00 0.00 C ATOM 206 C GLU A 14 -6.798 -2.754 7.386 1.00 0.00 C ATOM 207 O GLU A 14 -5.703 -3.037 6.909 1.00 0.00 O ATOM 208 CB GLU A 14 -8.781 -4.271 7.106 1.00 0.00 C ATOM 209 CG GLU A 14 -9.532 -5.500 7.596 1.00 0.00 C ATOM 210 CD GLU A 14 -10.838 -5.718 6.864 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.771 -4.909 7.051 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.949 -6.709 6.116 1.00 0.00 O ATOM 0 H GLU A 14 -9.210 -3.188 9.288 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.012 -4.691 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.485 -3.448 6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.365 -4.478 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.900 -6.380 7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.731 -5.397 8.663 1.00 0.00 H new ATOM 219 N LYS A 15 -7.297 -1.521 7.377 1.00 0.00 N ATOM 220 CA LYS A 15 -6.542 -0.386 6.851 1.00 0.00 C ATOM 221 C LYS A 15 -5.205 -0.243 7.575 1.00 0.00 C ATOM 222 O LYS A 15 -4.163 -0.027 6.953 1.00 0.00 O ATOM 223 CB LYS A 15 -7.352 0.905 7.000 1.00 0.00 C ATOM 224 CG LYS A 15 -8.519 1.017 6.037 1.00 0.00 C ATOM 225 CD LYS A 15 -9.478 2.122 6.455 1.00 0.00 C ATOM 226 CE LYS A 15 -9.940 2.938 5.262 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.866 4.028 5.665 1.00 0.00 N ATOM 0 H LYS A 15 -8.224 -1.281 7.729 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.349 -0.568 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.729 0.969 8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.689 1.757 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.146 1.217 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.052 0.067 5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.342 1.685 6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.989 2.776 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.074 3.365 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.438 2.285 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.933 4.728 4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.808 3.631 5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.506 4.490 6.524 1.00 0.00 H new ATOM 241 N ARG A 16 -5.246 -0.372 8.892 1.00 0.00 N ATOM 242 CA ARG A 16 -4.046 -0.279 9.711 1.00 0.00 C ATOM 243 C ARG A 16 -3.100 -1.445 9.436 1.00 0.00 C ATOM 244 O ARG A 16 -1.893 -1.251 9.297 1.00 0.00 O ATOM 245 CB ARG A 16 -4.426 -0.240 11.191 1.00 0.00 C ATOM 246 CG ARG A 16 -3.253 -0.003 12.119 1.00 0.00 C ATOM 247 CD ARG A 16 -3.519 -0.602 13.488 1.00 0.00 C ATOM 248 NE ARG A 16 -3.746 -2.046 13.416 1.00 0.00 N ATOM 249 CZ ARG A 16 -2.925 -2.961 13.924 1.00 0.00 C ATOM 250 NH1 ARG A 16 -1.817 -2.595 14.560 1.00 0.00 N ATOM 251 NH2 ARG A 16 -3.224 -4.247 13.807 1.00 0.00 N ATOM 0 H ARG A 16 -6.102 -0.542 9.420 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.525 0.643 9.452 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.164 0.547 11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.904 -1.182 11.458 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.352 -0.444 11.693 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.070 1.067 12.215 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.672 -0.400 14.144 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.389 -0.119 13.933 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.590 -2.372 12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.590 -1.606 14.662 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.193 -3.303 14.946 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.080 -4.530 13.329 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.598 -4.953 14.194 1.00 0.00 H new ATOM 265 N GLN A 17 -3.646 -2.654 9.347 1.00 0.00 N ATOM 266 CA GLN A 17 -2.839 -3.827 9.058 1.00 0.00 C ATOM 267 C GLN A 17 -2.266 -3.748 7.648 1.00 0.00 C ATOM 268 O GLN A 17 -1.207 -4.298 7.368 1.00 0.00 O ATOM 269 CB GLN A 17 -3.659 -5.104 9.233 1.00 0.00 C ATOM 270 CG GLN A 17 -2.827 -6.368 9.105 1.00 0.00 C ATOM 271 CD GLN A 17 -1.773 -6.490 10.188 1.00 0.00 C ATOM 272 OE1 GLN A 17 -1.964 -6.040 11.318 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.646 -7.095 9.847 1.00 0.00 N ATOM 0 H GLN A 17 -4.641 -2.843 9.471 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.010 -3.854 9.766 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.139 -5.089 10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.455 -5.123 8.488 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.485 -7.236 9.145 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.342 -6.381 8.129 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.526 -7.454 8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.103 -7.202 10.531 1.00 0.00 H new ATOM 282 N LEU A 18 -2.968 -3.040 6.779 1.00 0.00 N ATOM 283 CA LEU A 18 -2.527 -2.826 5.405 1.00 0.00 C ATOM 284 C LEU A 18 -1.318 -1.898 5.397 1.00 0.00 C ATOM 285 O LEU A 18 -0.388 -2.051 4.617 1.00 0.00 O ATOM 286 CB LEU A 18 -3.672 -2.217 4.592 1.00 0.00 C ATOM 287 CG LEU A 18 -3.804 -2.675 3.134 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.097 -2.155 2.540 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.634 -2.208 2.289 1.00 0.00 C ATOM 0 H LEU A 18 -3.859 -2.597 7.003 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.242 -3.778 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.608 -2.439 5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.555 -1.133 4.599 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.808 -3.765 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.181 -2.486 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.941 -2.539 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.101 -1.066 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.765 -2.553 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.587 -1.119 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.708 -2.616 2.693 1.00 0.00 H new ATOM 301 N SER A 19 -1.328 -0.930 6.284 1.00 0.00 N ATOM 302 CA SER A 19 -0.168 -0.076 6.456 1.00 0.00 C ATOM 303 C SER A 19 1.013 -0.916 6.938 1.00 0.00 C ATOM 304 O SER A 19 2.172 -0.675 6.587 1.00 0.00 O ATOM 305 CB SER A 19 -0.483 1.037 7.457 1.00 0.00 C ATOM 306 OG SER A 19 -1.682 1.710 7.108 1.00 0.00 O ATOM 0 H SER A 19 -2.116 -0.713 6.894 1.00 0.00 H new ATOM 0 HA SER A 19 0.092 0.384 5.503 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.577 0.615 8.458 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.342 1.749 7.487 1.00 0.00 H new ATOM 0 HG SER A 19 -1.641 1.985 6.168 1.00 0.00 H new ATOM 312 N LEU A 20 0.690 -1.935 7.714 1.00 0.00 N ATOM 313 CA LEU A 20 1.684 -2.817 8.286 1.00 0.00 C ATOM 314 C LEU A 20 2.166 -3.864 7.284 1.00 0.00 C ATOM 315 O LEU A 20 3.319 -4.295 7.338 1.00 0.00 O ATOM 316 CB LEU A 20 1.110 -3.485 9.524 1.00 0.00 C ATOM 317 CG LEU A 20 0.922 -2.549 10.709 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.377 -3.323 11.886 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.232 -1.859 11.059 1.00 0.00 C ATOM 0 H LEU A 20 -0.270 -2.172 7.964 1.00 0.00 H new ATOM 0 HA LEU A 20 2.553 -2.219 8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.147 -3.929 9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.769 -4.301 9.821 1.00 0.00 H new ATOM 0 HG LEU A 20 0.204 -1.773 10.444 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.243 -2.650 12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.583 -3.764 11.618 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.077 -4.113 12.157 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.077 -1.194 11.909 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.981 -2.608 11.316 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.578 -1.280 10.203 1.00 0.00 H new ATOM 331 N ASP A 21 1.292 -4.268 6.367 1.00 0.00 N ATOM 332 CA ASP A 21 1.636 -5.303 5.399 1.00 0.00 C ATOM 333 C ASP A 21 2.512 -4.750 4.272 1.00 0.00 C ATOM 334 O ASP A 21 3.385 -5.451 3.756 1.00 0.00 O ATOM 335 CB ASP A 21 0.376 -6.019 4.869 1.00 0.00 C ATOM 336 CG ASP A 21 -0.622 -5.155 4.140 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.217 -4.274 3.373 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.837 -5.404 4.316 1.00 0.00 O ATOM 0 H ASP A 21 0.346 -3.897 6.274 1.00 0.00 H new ATOM 0 HA ASP A 21 2.232 -6.056 5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.692 -6.818 4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.130 -6.491 5.711 1.00 0.00 H new ATOM 343 N ILE A 22 2.314 -3.484 3.920 1.00 0.00 N ATOM 344 CA ILE A 22 3.180 -2.822 2.947 1.00 0.00 C ATOM 345 C ILE A 22 4.544 -2.553 3.560 1.00 0.00 C ATOM 346 O ILE A 22 5.574 -2.627 2.889 1.00 0.00 O ATOM 347 CB ILE A 22 2.555 -1.503 2.454 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.251 -1.799 1.718 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.510 -0.739 1.553 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.362 -0.598 1.591 1.00 0.00 C ATOM 0 H ILE A 22 1.566 -2.897 4.291 1.00 0.00 H new ATOM 0 HA ILE A 22 3.295 -3.486 2.090 1.00 0.00 H new ATOM 0 HB ILE A 22 2.348 -0.875 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.481 -2.180 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.714 -2.587 2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.037 0.186 1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.421 -0.505 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.758 -1.349 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.548 -0.874 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.104 -0.229 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.883 0.184 1.038 1.00 0.00 H new ATOM 362 N ASN A 23 4.536 -2.270 4.856 1.00 0.00 N ATOM 363 CA ASN A 23 5.759 -2.081 5.620 1.00 0.00 C ATOM 364 C ASN A 23 6.620 -3.351 5.583 1.00 0.00 C ATOM 365 O ASN A 23 7.834 -3.302 5.788 1.00 0.00 O ATOM 366 CB ASN A 23 5.391 -1.723 7.063 1.00 0.00 C ATOM 367 CG ASN A 23 6.576 -1.736 8.013 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.938 -2.776 8.565 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.163 -0.575 8.236 1.00 0.00 N ATOM 0 H ASN A 23 3.683 -2.165 5.405 1.00 0.00 H new ATOM 0 HA ASN A 23 6.341 -1.271 5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.935 -0.733 7.078 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.640 -2.426 7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.947 -0.516 8.886 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.833 0.264 7.758 1.00 0.00 H new ATOM 376 N LYS A 24 5.980 -4.485 5.308 1.00 0.00 N ATOM 377 CA LYS A 24 6.662 -5.776 5.289 1.00 0.00 C ATOM 378 C LYS A 24 7.352 -6.041 3.958 1.00 0.00 C ATOM 379 O LYS A 24 8.321 -6.800 3.896 1.00 0.00 O ATOM 380 CB LYS A 24 5.667 -6.893 5.588 1.00 0.00 C ATOM 381 CG LYS A 24 5.232 -6.919 7.036 1.00 0.00 C ATOM 382 CD LYS A 24 4.181 -7.979 7.287 1.00 0.00 C ATOM 383 CE LYS A 24 3.725 -7.962 8.736 1.00 0.00 C ATOM 384 NZ LYS A 24 4.862 -8.170 9.674 1.00 0.00 N ATOM 0 H LYS A 24 4.984 -4.535 5.094 1.00 0.00 H new ATOM 0 HA LYS A 24 7.433 -5.750 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.790 -6.772 4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.117 -7.852 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.097 -7.107 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.837 -5.942 7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.327 -7.811 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.584 -8.961 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.243 -7.009 8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.978 -8.740 8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.494 -8.372 10.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.438 -8.972 9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.449 -7.312 9.704 1.00 0.00 H new ATOM 398 N LEU A 25 6.850 -5.432 2.898 1.00 0.00 N ATOM 399 CA LEU A 25 7.425 -5.616 1.572 1.00 0.00 C ATOM 400 C LEU A 25 8.837 -5.045 1.495 1.00 0.00 C ATOM 401 O LEU A 25 9.072 -3.900 1.885 1.00 0.00 O ATOM 402 CB LEU A 25 6.550 -4.940 0.522 1.00 0.00 C ATOM 403 CG LEU A 25 5.111 -5.421 0.460 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.459 -4.907 -0.800 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.052 -6.927 0.510 1.00 0.00 C ATOM 0 H LEU A 25 6.046 -4.805 2.927 1.00 0.00 H new ATOM 0 HA LEU A 25 7.473 -6.687 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.548 -3.867 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.007 -5.089 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 25 4.570 -5.034 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.426 -5.253 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.477 -3.817 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.002 -5.279 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.013 -7.252 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.599 -7.341 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.502 -7.278 1.439 1.00 0.00 H new ATOM 417 N PRO A 26 9.804 -5.850 1.016 1.00 0.00 N ATOM 418 CA PRO A 26 11.162 -5.369 0.738 1.00 0.00 C ATOM 419 C PRO A 26 11.140 -4.225 -0.270 1.00 0.00 C ATOM 420 O PRO A 26 10.250 -4.183 -1.117 1.00 0.00 O ATOM 421 CB PRO A 26 11.867 -6.595 0.145 1.00 0.00 C ATOM 422 CG PRO A 26 11.079 -7.764 0.625 1.00 0.00 C ATOM 423 CD PRO A 26 9.657 -7.292 0.735 1.00 0.00 C ATOM 0 HA PRO A 26 11.659 -4.979 1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.885 -6.552 -0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.903 -6.654 0.478 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.159 -8.600 -0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.449 -8.114 1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.101 -7.469 -0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.122 -7.806 1.534 1.00 0.00 H new ATOM 431 N GLY A 27 12.121 -3.320 -0.179 1.00 0.00 N ATOM 432 CA GLY A 27 12.149 -2.111 -1.005 1.00 0.00 C ATOM 433 C GLY A 27 11.732 -2.332 -2.451 1.00 0.00 C ATOM 434 O GLY A 27 10.941 -1.559 -2.996 1.00 0.00 O ATOM 0 H GLY A 27 12.909 -3.404 0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.491 -1.365 -0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.157 -1.697 -0.989 1.00 0.00 H new ATOM 438 N GLU A 28 12.262 -3.382 -3.065 1.00 0.00 N ATOM 439 CA GLU A 28 11.910 -3.754 -4.435 1.00 0.00 C ATOM 440 C GLU A 28 10.391 -3.888 -4.602 1.00 0.00 C ATOM 441 O GLU A 28 9.772 -3.178 -5.398 1.00 0.00 O ATOM 442 CB GLU A 28 12.614 -5.081 -4.789 1.00 0.00 C ATOM 443 CG GLU A 28 12.201 -5.710 -6.108 1.00 0.00 C ATOM 444 CD GLU A 28 12.621 -7.162 -6.208 1.00 0.00 C ATOM 445 OE1 GLU A 28 13.789 -7.423 -6.571 1.00 0.00 O ATOM 446 OE2 GLU A 28 11.787 -8.050 -5.943 1.00 0.00 O ATOM 0 H GLU A 28 12.947 -4.001 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 28 12.243 -2.968 -5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.690 -4.906 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.424 -5.797 -3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.119 -5.638 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.644 -5.148 -6.930 1.00 0.00 H new ATOM 453 N LYS A 29 9.801 -4.782 -3.824 1.00 0.00 N ATOM 454 CA LYS A 29 8.367 -5.038 -3.874 1.00 0.00 C ATOM 455 C LYS A 29 7.579 -3.826 -3.387 1.00 0.00 C ATOM 456 O LYS A 29 6.491 -3.525 -3.877 1.00 0.00 O ATOM 457 CB LYS A 29 8.052 -6.249 -3.001 1.00 0.00 C ATOM 458 CG LYS A 29 8.559 -7.569 -3.566 1.00 0.00 C ATOM 459 CD LYS A 29 7.809 -7.953 -4.834 1.00 0.00 C ATOM 460 CE LYS A 29 8.092 -9.387 -5.268 1.00 0.00 C ATOM 461 NZ LYS A 29 7.460 -10.379 -4.361 1.00 0.00 N ATOM 0 H LYS A 29 10.301 -5.351 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 29 8.076 -5.235 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.489 -6.096 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.973 -6.315 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.625 -7.489 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.442 -8.355 -2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.738 -7.831 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.088 -7.272 -5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.724 -9.538 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.169 -9.552 -5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.148 -11.124 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.153 -9.905 -3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.636 -10.804 -4.832 1.00 0.00 H new ATOM 475 N LEU A 30 8.155 -3.148 -2.418 1.00 0.00 N ATOM 476 CA LEU A 30 7.562 -1.967 -1.805 1.00 0.00 C ATOM 477 C LEU A 30 7.346 -0.853 -2.824 1.00 0.00 C ATOM 478 O LEU A 30 6.304 -0.199 -2.807 1.00 0.00 O ATOM 479 CB LEU A 30 8.480 -1.504 -0.672 1.00 0.00 C ATOM 480 CG LEU A 30 8.049 -0.248 0.068 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.556 -0.266 0.354 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.846 -0.135 1.359 1.00 0.00 C ATOM 0 H LEU A 30 9.061 -3.401 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 30 6.578 -2.220 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.568 -2.315 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.475 -1.335 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 30 8.248 0.622 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.276 0.644 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.006 -0.323 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.314 -1.133 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.543 0.764 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.658 -1.010 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.909 -0.077 1.126 1.00 0.00 H new ATOM 494 N GLY A 31 8.310 -0.663 -3.720 1.00 0.00 N ATOM 495 CA GLY A 31 8.225 0.407 -4.707 1.00 0.00 C ATOM 496 C GLY A 31 6.952 0.358 -5.537 1.00 0.00 C ATOM 497 O GLY A 31 6.497 1.387 -6.039 1.00 0.00 O ATOM 0 H GLY A 31 9.154 -1.232 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.281 1.368 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.087 0.348 -5.372 1.00 0.00 H new ATOM 501 N ARG A 32 6.382 -0.831 -5.696 1.00 0.00 N ATOM 502 CA ARG A 32 5.124 -0.979 -6.420 1.00 0.00 C ATOM 503 C ARG A 32 3.989 -0.279 -5.686 1.00 0.00 C ATOM 504 O ARG A 32 3.236 0.476 -6.288 1.00 0.00 O ATOM 505 CB ARG A 32 4.777 -2.459 -6.614 1.00 0.00 C ATOM 506 CG ARG A 32 3.388 -2.702 -7.211 1.00 0.00 C ATOM 507 CD ARG A 32 3.263 -2.128 -8.617 1.00 0.00 C ATOM 508 NE ARG A 32 4.179 -2.769 -9.555 1.00 0.00 N ATOM 509 CZ ARG A 32 3.875 -3.053 -10.819 1.00 0.00 C ATOM 510 NH1 ARG A 32 2.663 -2.790 -11.295 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.788 -3.606 -11.604 1.00 0.00 N ATOM 0 H ARG A 32 6.769 -1.703 -5.335 1.00 0.00 H new ATOM 0 HA ARG A 32 5.250 -0.515 -7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.525 -2.914 -7.263 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.840 -2.965 -5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.187 -3.773 -7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.633 -2.252 -6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.239 -2.252 -8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.463 -1.057 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 32 5.111 -3.015 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.958 -2.368 -10.691 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.437 -3.010 -12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.718 -3.812 -11.239 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.561 -3.826 -12.574 1.00 0.00 H new ATOM 525 N VAL A 33 3.885 -0.516 -4.384 1.00 0.00 N ATOM 526 CA VAL A 33 2.764 0.002 -3.599 1.00 0.00 C ATOM 527 C VAL A 33 2.806 1.514 -3.523 1.00 0.00 C ATOM 528 O VAL A 33 1.797 2.170 -3.764 1.00 0.00 O ATOM 529 CB VAL A 33 2.723 -0.571 -2.173 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.284 -0.798 -1.768 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.515 -1.860 -2.066 1.00 0.00 C ATOM 0 H VAL A 33 4.560 -1.062 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 33 1.861 -0.318 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 33 3.185 0.149 -1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.250 -1.204 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.744 0.149 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.819 -1.502 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.463 -2.235 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.097 -2.602 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.555 -1.671 -2.331 1.00 0.00 H new ATOM 541 N VAL A 34 3.977 2.063 -3.209 1.00 0.00 N ATOM 542 CA VAL A 34 4.162 3.518 -3.203 1.00 0.00 C ATOM 543 C VAL A 34 3.654 4.101 -4.517 1.00 0.00 C ATOM 544 O VAL A 34 2.996 5.142 -4.543 1.00 0.00 O ATOM 545 CB VAL A 34 5.653 3.922 -2.965 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.538 2.705 -2.944 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.169 4.911 -4.006 1.00 0.00 C ATOM 0 H VAL A 34 4.809 1.529 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 34 3.586 3.927 -2.372 1.00 0.00 H new ATOM 0 HB VAL A 34 5.686 4.417 -1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.571 3.009 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.222 2.039 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.463 2.184 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.209 5.156 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.099 4.465 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.568 5.820 -3.974 1.00 0.00 H new ATOM 557 N HIS A 35 3.937 3.386 -5.595 1.00 0.00 N ATOM 558 CA HIS A 35 3.483 3.781 -6.920 1.00 0.00 C ATOM 559 C HIS A 35 1.969 3.606 -7.066 1.00 0.00 C ATOM 560 O HIS A 35 1.299 4.469 -7.630 1.00 0.00 O ATOM 561 CB HIS A 35 4.211 2.980 -7.999 1.00 0.00 C ATOM 562 CG HIS A 35 3.874 3.418 -9.394 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.416 4.540 -9.980 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.036 2.887 -10.317 1.00 0.00 C ATOM 565 CE1 HIS A 35 3.928 4.682 -11.196 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.088 3.692 -11.425 1.00 0.00 N ATOM 0 H HIS A 35 4.482 2.524 -5.578 1.00 0.00 H new ATOM 0 HA HIS A 35 3.716 4.838 -7.047 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.286 3.073 -7.847 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.963 1.925 -7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.438 1.995 -10.201 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.174 5.474 -11.887 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.562 3.548 -12.287 1.00 0.00 H new ATOM 575 N ILE A 36 1.438 2.486 -6.569 1.00 0.00 N ATOM 576 CA ILE A 36 0.005 2.205 -6.669 1.00 0.00 C ATOM 577 C ILE A 36 -0.817 3.332 -6.058 1.00 0.00 C ATOM 578 O ILE A 36 -1.684 3.897 -6.722 1.00 0.00 O ATOM 579 CB ILE A 36 -0.413 0.870 -6.001 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.349 -0.310 -6.610 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.916 0.661 -6.162 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.142 -1.669 -6.152 1.00 0.00 C ATOM 0 H ILE A 36 1.977 1.762 -6.095 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.196 2.121 -7.737 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.166 0.923 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.273 -0.256 -7.696 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.405 -0.214 -6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.205 -0.278 -5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.451 1.484 -5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.167 0.628 -7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.450 -2.450 -6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.040 -1.747 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.190 -1.789 -6.427 1.00 0.00 H new ATOM 594 N ILE A 37 -0.532 3.671 -4.803 1.00 0.00 N ATOM 595 CA ILE A 37 -1.293 4.710 -4.119 1.00 0.00 C ATOM 596 C ILE A 37 -1.186 6.037 -4.867 1.00 0.00 C ATOM 597 O ILE A 37 -2.195 6.673 -5.156 1.00 0.00 O ATOM 598 CB ILE A 37 -0.850 4.920 -2.655 1.00 0.00 C ATOM 599 CG1 ILE A 37 -0.996 3.634 -1.844 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.694 6.011 -2.029 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.317 3.038 -1.408 1.00 0.00 C ATOM 0 H ILE A 37 0.210 3.247 -4.246 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.327 4.366 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 37 0.201 5.208 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.602 3.839 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.538 2.899 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.384 6.162 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.562 6.938 -2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.744 5.719 -2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.132 2.128 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.918 2.800 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.853 3.754 -0.785 1.00 0.00 H new ATOM 613 N GLN A 38 0.038 6.433 -5.191 1.00 0.00 N ATOM 614 CA GLN A 38 0.286 7.676 -5.927 1.00 0.00 C ATOM 615 C GLN A 38 -0.449 7.707 -7.271 1.00 0.00 C ATOM 616 O GLN A 38 -0.841 8.773 -7.749 1.00 0.00 O ATOM 617 CB GLN A 38 1.789 7.872 -6.159 1.00 0.00 C ATOM 618 CG GLN A 38 2.570 8.240 -4.899 1.00 0.00 C ATOM 619 CD GLN A 38 3.591 9.337 -5.148 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.423 10.170 -6.036 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.646 9.358 -4.349 1.00 0.00 N ATOM 0 H GLN A 38 0.882 5.911 -4.956 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.100 8.491 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.204 6.955 -6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.932 8.655 -6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.874 8.565 -4.126 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.079 7.354 -4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.750 8.649 -3.623 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.355 10.083 -4.459 1.00 0.00 H new ATOM 630 N SER A 39 -0.621 6.543 -7.880 1.00 0.00 N ATOM 631 CA SER A 39 -1.311 6.442 -9.161 1.00 0.00 C ATOM 632 C SER A 39 -2.829 6.529 -8.990 1.00 0.00 C ATOM 633 O SER A 39 -3.526 7.097 -9.835 1.00 0.00 O ATOM 634 CB SER A 39 -0.929 5.130 -9.860 1.00 0.00 C ATOM 635 OG SER A 39 -1.666 4.936 -11.057 1.00 0.00 O ATOM 0 H SER A 39 -0.292 5.652 -7.508 1.00 0.00 H new ATOM 0 HA SER A 39 -0.999 7.284 -9.779 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.137 5.136 -10.087 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.106 4.293 -9.184 1.00 0.00 H new ATOM 0 HG SER A 39 -1.395 4.092 -11.475 1.00 0.00 H new ATOM 641 N ARG A 40 -3.345 5.973 -7.900 1.00 0.00 N ATOM 642 CA ARG A 40 -4.788 5.921 -7.692 1.00 0.00 C ATOM 643 C ARG A 40 -5.289 7.153 -6.954 1.00 0.00 C ATOM 644 O ARG A 40 -6.433 7.572 -7.134 1.00 0.00 O ATOM 645 CB ARG A 40 -5.176 4.683 -6.901 1.00 0.00 C ATOM 646 CG ARG A 40 -4.595 3.389 -7.451 1.00 0.00 C ATOM 647 CD ARG A 40 -5.420 2.194 -7.039 1.00 0.00 C ATOM 648 NE ARG A 40 -6.766 2.217 -7.613 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.434 1.129 -7.996 1.00 0.00 C ATOM 650 NH1 ARG A 40 -6.893 -0.075 -7.850 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.644 1.247 -8.526 1.00 0.00 N ATOM 0 H ARG A 40 -2.792 5.555 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.250 5.886 -8.679 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.848 4.806 -5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.263 4.602 -6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.549 3.443 -8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.572 3.267 -7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.912 1.281 -7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.493 2.164 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.222 3.122 -7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.962 -0.170 -7.443 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.408 -0.905 -8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.063 2.170 -8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.156 0.415 -8.819 1.00 0.00 H new ATOM 665 N GLU A 41 -4.440 7.711 -6.106 1.00 0.00 N ATOM 666 CA GLU A 41 -4.794 8.889 -5.321 1.00 0.00 C ATOM 667 C GLU A 41 -4.004 10.130 -5.757 1.00 0.00 C ATOM 668 O GLU A 41 -3.032 10.504 -5.099 1.00 0.00 O ATOM 669 CB GLU A 41 -4.531 8.629 -3.839 1.00 0.00 C ATOM 670 CG GLU A 41 -5.238 7.407 -3.277 1.00 0.00 C ATOM 671 CD GLU A 41 -6.732 7.432 -3.505 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.327 8.532 -3.501 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.319 6.352 -3.697 1.00 0.00 O ATOM 0 H GLU A 41 -3.494 7.366 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.854 9.081 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.458 8.513 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.840 9.505 -3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.821 6.510 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.040 7.340 -2.207 1.00 0.00 H new ATOM 680 N PRO A 42 -4.394 10.775 -6.882 1.00 0.00 N ATOM 681 CA PRO A 42 -3.762 12.019 -7.365 1.00 0.00 C ATOM 682 C PRO A 42 -3.411 13.045 -6.273 1.00 0.00 C ATOM 683 O PRO A 42 -2.403 13.744 -6.380 1.00 0.00 O ATOM 684 CB PRO A 42 -4.814 12.618 -8.296 1.00 0.00 C ATOM 685 CG PRO A 42 -5.701 11.489 -8.716 1.00 0.00 C ATOM 686 CD PRO A 42 -5.410 10.291 -7.844 1.00 0.00 C ATOM 0 HA PRO A 42 -2.802 11.785 -7.826 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.387 13.393 -7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.345 13.086 -9.162 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.748 11.777 -8.624 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.529 11.244 -9.764 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.308 9.944 -7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.034 9.454 -8.432 1.00 0.00 H new ATOM 694 N SER A 43 -4.230 13.134 -5.233 1.00 0.00 N ATOM 695 CA SER A 43 -4.064 14.146 -4.196 1.00 0.00 C ATOM 696 C SER A 43 -2.741 14.002 -3.443 1.00 0.00 C ATOM 697 O SER A 43 -2.271 14.955 -2.822 1.00 0.00 O ATOM 698 CB SER A 43 -5.235 14.064 -3.221 1.00 0.00 C ATOM 699 OG SER A 43 -6.472 14.148 -3.911 1.00 0.00 O ATOM 0 H SER A 43 -5.024 12.511 -5.084 1.00 0.00 H new ATOM 0 HA SER A 43 -4.046 15.121 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.186 13.128 -2.665 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.164 14.871 -2.492 1.00 0.00 H new ATOM 0 HG SER A 43 -7.210 14.092 -3.268 1.00 0.00 H new ATOM 705 N LEU A 44 -2.135 12.823 -3.502 1.00 0.00 N ATOM 706 CA LEU A 44 -0.877 12.598 -2.806 1.00 0.00 C ATOM 707 C LEU A 44 0.253 12.280 -3.777 1.00 0.00 C ATOM 708 O LEU A 44 1.324 11.841 -3.363 1.00 0.00 O ATOM 709 CB LEU A 44 -1.020 11.492 -1.750 1.00 0.00 C ATOM 710 CG LEU A 44 -1.544 10.143 -2.242 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.403 9.265 -2.725 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.325 9.451 -1.135 1.00 0.00 C ATOM 0 H LEU A 44 -2.489 12.018 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.619 13.525 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.045 11.332 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.687 11.852 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.213 10.316 -3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.800 8.310 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.115 9.761 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.295 9.093 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.694 8.491 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.674 9.290 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.168 10.076 -0.839 1.00 0.00 H new ATOM 724 N LYS A 45 0.033 12.525 -5.065 1.00 0.00 N ATOM 725 CA LYS A 45 1.090 12.310 -6.055 1.00 0.00 C ATOM 726 C LYS A 45 2.107 13.448 -5.975 1.00 0.00 C ATOM 727 O LYS A 45 3.131 13.447 -6.662 1.00 0.00 O ATOM 728 CB LYS A 45 0.520 12.184 -7.478 1.00 0.00 C ATOM 729 CG LYS A 45 0.114 13.495 -8.117 1.00 0.00 C ATOM 730 CD LYS A 45 -0.551 13.261 -9.460 1.00 0.00 C ATOM 731 CE LYS A 45 -0.489 14.507 -10.316 1.00 0.00 C ATOM 732 NZ LYS A 45 -1.108 14.303 -11.652 1.00 0.00 N ATOM 0 H LYS A 45 -0.850 12.866 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 45 1.587 11.367 -5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.265 11.702 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.348 11.525 -7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.569 14.029 -7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.992 14.128 -8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.059 12.436 -9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.590 12.969 -9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.997 15.324 -9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.551 14.808 -10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.042 15.183 -12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.608 13.542 -12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.108 14.042 -11.535 1.00 0.00 H new ATOM 746 N ASN A 46 1.806 14.416 -5.118 1.00 0.00 N ATOM 747 CA ASN A 46 2.712 15.518 -4.834 1.00 0.00 C ATOM 748 C ASN A 46 3.743 15.108 -3.787 1.00 0.00 C ATOM 749 O ASN A 46 4.705 15.833 -3.529 1.00 0.00 O ATOM 750 CB ASN A 46 1.925 16.749 -4.356 1.00 0.00 C ATOM 751 CG ASN A 46 0.962 16.440 -3.217 1.00 0.00 C ATOM 752 OD1 ASN A 46 1.195 15.548 -2.403 1.00 0.00 O ATOM 753 ND2 ASN A 46 -0.137 17.174 -3.159 1.00 0.00 N ATOM 0 H ASN A 46 0.927 14.458 -4.602 1.00 0.00 H new ATOM 0 HA ASN A 46 3.238 15.776 -5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.627 17.517 -4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.365 17.162 -5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.823 17.008 -2.422 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.299 17.906 -3.851 1.00 0.00 H new ATOM 760 N SER A 47 3.537 13.940 -3.188 1.00 0.00 N ATOM 761 CA SER A 47 4.445 13.433 -2.174 1.00 0.00 C ATOM 762 C SER A 47 5.752 12.984 -2.817 1.00 0.00 C ATOM 763 O SER A 47 5.741 12.359 -3.881 1.00 0.00 O ATOM 764 CB SER A 47 3.810 12.254 -1.430 1.00 0.00 C ATOM 765 OG SER A 47 2.477 12.546 -1.050 1.00 0.00 O ATOM 0 H SER A 47 2.747 13.328 -3.390 1.00 0.00 H new ATOM 0 HA SER A 47 4.649 14.234 -1.464 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.824 11.369 -2.066 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.400 12.019 -0.544 1.00 0.00 H new ATOM 0 HG SER A 47 1.858 12.146 -1.696 1.00 0.00 H new ATOM 771 N ASN A 48 6.872 13.314 -2.181 1.00 0.00 N ATOM 772 CA ASN A 48 8.171 12.859 -2.657 1.00 0.00 C ATOM 773 C ASN A 48 8.188 11.341 -2.634 1.00 0.00 C ATOM 774 O ASN A 48 7.821 10.733 -1.632 1.00 0.00 O ATOM 775 CB ASN A 48 9.303 13.393 -1.772 1.00 0.00 C ATOM 776 CG ASN A 48 9.309 14.900 -1.655 1.00 0.00 C ATOM 777 OD1 ASN A 48 8.874 15.613 -2.560 1.00 0.00 O ATOM 778 ND2 ASN A 48 9.812 15.395 -0.538 1.00 0.00 N ATOM 0 H ASN A 48 6.905 13.891 -1.340 1.00 0.00 H new ATOM 0 HA ASN A 48 8.328 13.232 -3.669 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.213 12.958 -0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.259 13.063 -2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.851 16.405 -0.400 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.161 14.767 0.186 1.00 0.00 H new ATOM 785 N PRO A 49 8.606 10.704 -3.739 1.00 0.00 N ATOM 786 CA PRO A 49 8.547 9.247 -3.878 1.00 0.00 C ATOM 787 C PRO A 49 9.368 8.518 -2.824 1.00 0.00 C ATOM 788 O PRO A 49 9.128 7.347 -2.556 1.00 0.00 O ATOM 789 CB PRO A 49 9.112 8.981 -5.274 1.00 0.00 C ATOM 790 CG PRO A 49 9.882 10.209 -5.619 1.00 0.00 C ATOM 791 CD PRO A 49 9.174 11.345 -4.940 1.00 0.00 C ATOM 0 HA PRO A 49 7.529 8.881 -3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.753 8.099 -5.279 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.314 8.800 -5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.914 10.132 -5.276 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.915 10.359 -6.698 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.859 12.152 -4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.399 11.775 -5.574 1.00 0.00 H new ATOM 799 N ASP A 50 10.319 9.215 -2.218 1.00 0.00 N ATOM 800 CA ASP A 50 11.161 8.617 -1.191 1.00 0.00 C ATOM 801 C ASP A 50 10.437 8.615 0.156 1.00 0.00 C ATOM 802 O ASP A 50 10.579 7.682 0.946 1.00 0.00 O ATOM 803 CB ASP A 50 12.495 9.368 -1.072 1.00 0.00 C ATOM 804 CG ASP A 50 13.086 9.740 -2.416 1.00 0.00 C ATOM 805 OD1 ASP A 50 13.501 8.836 -3.168 1.00 0.00 O ATOM 806 OD2 ASP A 50 13.139 10.952 -2.723 1.00 0.00 O ATOM 0 H ASP A 50 10.527 10.193 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 50 11.370 7.587 -1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.345 10.273 -0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.207 8.748 -0.527 1.00 0.00 H new ATOM 811 N GLU A 51 9.614 9.639 0.372 1.00 0.00 N ATOM 812 CA GLU A 51 8.908 9.847 1.634 1.00 0.00 C ATOM 813 C GLU A 51 7.441 10.116 1.341 1.00 0.00 C ATOM 814 O GLU A 51 6.946 11.221 1.568 1.00 0.00 O ATOM 815 CB GLU A 51 9.504 11.052 2.378 1.00 0.00 C ATOM 816 CG GLU A 51 10.732 10.717 3.196 1.00 0.00 C ATOM 817 CD GLU A 51 10.400 10.023 4.505 1.00 0.00 C ATOM 818 OE1 GLU A 51 9.837 8.911 4.484 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.696 10.603 5.572 1.00 0.00 O ATOM 0 H GLU A 51 9.417 10.353 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 51 9.010 8.958 2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.761 11.824 1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.744 11.473 3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.390 10.077 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.283 11.634 3.406 1.00 0.00 H new ATOM 826 N ILE A 52 6.751 9.118 0.813 1.00 0.00 N ATOM 827 CA ILE A 52 5.407 9.332 0.318 1.00 0.00 C ATOM 828 C ILE A 52 4.413 9.446 1.464 1.00 0.00 C ATOM 829 O ILE A 52 4.522 8.745 2.471 1.00 0.00 O ATOM 830 CB ILE A 52 4.968 8.228 -0.665 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.515 6.986 0.063 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.110 7.859 -1.589 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.689 6.082 -0.812 1.00 0.00 C ATOM 0 H ILE A 52 7.097 8.163 0.718 1.00 0.00 H new ATOM 0 HA ILE A 52 5.419 10.275 -0.229 1.00 0.00 H new ATOM 0 HB ILE A 52 4.132 8.625 -1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.387 6.441 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.932 7.273 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.784 7.079 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.417 8.737 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.952 7.495 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.387 5.202 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.802 6.616 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.279 5.772 -1.674 1.00 0.00 H new ATOM 845 N GLU A 53 3.461 10.349 1.306 1.00 0.00 N ATOM 846 CA GLU A 53 2.476 10.610 2.331 1.00 0.00 C ATOM 847 C GLU A 53 1.180 9.875 1.990 1.00 0.00 C ATOM 848 O GLU A 53 0.460 10.273 1.072 1.00 0.00 O ATOM 849 CB GLU A 53 2.210 12.119 2.397 1.00 0.00 C ATOM 850 CG GLU A 53 1.965 12.670 3.794 1.00 0.00 C ATOM 851 CD GLU A 53 1.056 11.805 4.634 1.00 0.00 C ATOM 852 OE1 GLU A 53 -0.176 12.003 4.586 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.582 10.940 5.361 1.00 0.00 O ATOM 0 H GLU A 53 3.352 10.918 0.466 1.00 0.00 H new ATOM 0 HA GLU A 53 2.845 10.260 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.061 12.642 1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.344 12.347 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.922 12.781 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.531 13.666 3.712 1.00 0.00 H new ATOM 860 N ILE A 54 0.890 8.808 2.715 1.00 0.00 N ATOM 861 CA ILE A 54 -0.334 8.045 2.488 1.00 0.00 C ATOM 862 C ILE A 54 -1.348 8.347 3.573 1.00 0.00 C ATOM 863 O ILE A 54 -1.011 8.331 4.756 1.00 0.00 O ATOM 864 CB ILE A 54 -0.083 6.527 2.478 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.882 6.136 1.368 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.395 5.783 2.299 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.303 4.688 1.439 1.00 0.00 C ATOM 0 H ILE A 54 1.481 8.448 3.465 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.710 8.344 1.510 1.00 0.00 H new ATOM 0 HB ILE A 54 0.364 6.254 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.413 6.326 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.767 6.770 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.207 4.709 2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.068 6.029 3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.853 6.076 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.991 4.469 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.799 4.499 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.424 4.049 1.355 1.00 0.00 H new ATOM 879 N ASP A 55 -2.588 8.599 3.182 1.00 0.00 N ATOM 880 CA ASP A 55 -3.628 8.855 4.161 1.00 0.00 C ATOM 881 C ASP A 55 -4.718 7.815 4.018 1.00 0.00 C ATOM 882 O ASP A 55 -5.628 7.956 3.202 1.00 0.00 O ATOM 883 CB ASP A 55 -4.192 10.269 4.015 1.00 0.00 C ATOM 884 CG ASP A 55 -4.912 10.720 5.268 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.052 10.266 5.506 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.333 11.520 6.036 1.00 0.00 O ATOM 0 H ASP A 55 -2.894 8.631 2.209 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.198 8.785 5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.381 10.962 3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.879 10.301 3.170 1.00 0.00 H new ATOM 891 N PHE A 56 -4.618 6.769 4.827 1.00 0.00 N ATOM 892 CA PHE A 56 -5.442 5.578 4.665 1.00 0.00 C ATOM 893 C PHE A 56 -6.935 5.855 4.815 1.00 0.00 C ATOM 894 O PHE A 56 -7.762 5.032 4.429 1.00 0.00 O ATOM 895 CB PHE A 56 -4.989 4.490 5.633 1.00 0.00 C ATOM 896 CG PHE A 56 -4.163 3.440 4.950 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.808 3.621 4.736 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.757 2.284 4.494 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.065 2.656 4.076 1.00 0.00 C ATOM 900 CE2 PHE A 56 -4.026 1.320 3.840 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.680 1.502 3.627 1.00 0.00 C ATOM 0 H PHE A 56 -3.967 6.721 5.611 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.301 5.232 3.641 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.409 4.940 6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.862 4.024 6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.326 4.522 5.086 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.814 2.132 4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.008 2.805 3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.510 0.419 3.493 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.106 0.747 3.111 1.00 0.00 H new ATOM 911 N GLU A 57 -7.281 7.021 5.334 1.00 0.00 N ATOM 912 CA GLU A 57 -8.674 7.384 5.521 1.00 0.00 C ATOM 913 C GLU A 57 -9.227 8.124 4.307 1.00 0.00 C ATOM 914 O GLU A 57 -10.401 8.492 4.272 1.00 0.00 O ATOM 915 CB GLU A 57 -8.815 8.234 6.775 1.00 0.00 C ATOM 916 CG GLU A 57 -8.525 7.463 8.050 1.00 0.00 C ATOM 917 CD GLU A 57 -9.573 6.407 8.343 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.626 5.391 7.621 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.354 6.591 9.299 1.00 0.00 O ATOM 0 H GLU A 57 -6.615 7.733 5.633 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.255 6.469 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.136 9.084 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.827 8.637 6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.548 6.987 7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.472 8.159 8.887 1.00 0.00 H new ATOM 926 N THR A 58 -8.386 8.333 3.305 1.00 0.00 N ATOM 927 CA THR A 58 -8.810 9.040 2.105 1.00 0.00 C ATOM 928 C THR A 58 -8.644 8.187 0.850 1.00 0.00 C ATOM 929 O THR A 58 -9.223 8.495 -0.193 1.00 0.00 O ATOM 930 CB THR A 58 -8.038 10.359 1.935 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.628 10.108 1.903 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.361 11.310 3.073 1.00 0.00 C ATOM 0 H THR A 58 -7.413 8.026 3.298 1.00 0.00 H new ATOM 0 HA THR A 58 -9.870 9.259 2.232 1.00 0.00 H new ATOM 0 HB THR A 58 -8.341 10.816 0.993 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.445 9.221 2.278 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.807 12.239 2.939 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.430 11.522 3.077 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.078 10.852 4.021 1.00 0.00 H new ATOM 940 N LEU A 59 -7.860 7.115 0.951 1.00 0.00 N ATOM 941 CA LEU A 59 -7.643 6.228 -0.191 1.00 0.00 C ATOM 942 C LEU A 59 -8.967 5.598 -0.605 1.00 0.00 C ATOM 943 O LEU A 59 -9.786 5.239 0.249 1.00 0.00 O ATOM 944 CB LEU A 59 -6.651 5.102 0.132 1.00 0.00 C ATOM 945 CG LEU A 59 -5.496 5.463 1.067 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.554 4.276 1.228 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.748 6.696 0.575 1.00 0.00 C ATOM 0 H LEU A 59 -7.369 6.841 1.802 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.227 6.833 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.205 4.275 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.231 4.737 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.913 5.706 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.737 4.548 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.101 3.432 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.150 3.998 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.933 6.926 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.342 6.503 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.433 7.543 0.529 1.00 0.00 H new ATOM 959 N LYS A 60 -9.176 5.478 -1.902 1.00 0.00 N ATOM 960 CA LYS A 60 -10.367 4.837 -2.436 1.00 0.00 C ATOM 961 C LYS A 60 -10.410 3.370 -2.012 1.00 0.00 C ATOM 962 O LYS A 60 -9.363 2.745 -1.814 1.00 0.00 O ATOM 963 CB LYS A 60 -10.364 4.956 -3.963 1.00 0.00 C ATOM 964 CG LYS A 60 -10.274 6.393 -4.461 1.00 0.00 C ATOM 965 CD LYS A 60 -10.241 6.464 -5.976 1.00 0.00 C ATOM 966 CE LYS A 60 -10.031 7.893 -6.452 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.725 8.447 -5.995 1.00 0.00 N ATOM 0 H LYS A 60 -8.530 5.819 -2.614 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.255 5.332 -2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.523 4.388 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.272 4.500 -4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.127 6.960 -4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.378 6.863 -4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.440 5.829 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.175 6.076 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.077 7.923 -7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.841 8.521 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.560 9.368 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.742 8.569 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.960 7.791 -6.253 1.00 0.00 H new ATOM 981 N PRO A 61 -11.620 2.806 -1.847 1.00 0.00 N ATOM 982 CA PRO A 61 -11.790 1.409 -1.432 1.00 0.00 C ATOM 983 C PRO A 61 -11.064 0.447 -2.364 1.00 0.00 C ATOM 984 O PRO A 61 -10.540 -0.581 -1.933 1.00 0.00 O ATOM 985 CB PRO A 61 -13.303 1.178 -1.512 1.00 0.00 C ATOM 986 CG PRO A 61 -13.927 2.536 -1.484 1.00 0.00 C ATOM 987 CD PRO A 61 -12.912 3.494 -2.047 1.00 0.00 C ATOM 0 HA PRO A 61 -11.376 1.231 -0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.569 0.645 -2.425 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.650 0.571 -0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.843 2.553 -2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.199 2.815 -0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.097 3.697 -3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.938 4.453 -1.529 1.00 0.00 H new ATOM 995 N SER A 62 -11.023 0.803 -3.636 1.00 0.00 N ATOM 996 CA SER A 62 -10.364 -0.012 -4.637 1.00 0.00 C ATOM 997 C SER A 62 -8.847 0.079 -4.489 1.00 0.00 C ATOM 998 O SER A 62 -8.133 -0.899 -4.713 1.00 0.00 O ATOM 999 CB SER A 62 -10.803 0.439 -6.028 1.00 0.00 C ATOM 1000 OG SER A 62 -10.763 1.854 -6.130 1.00 0.00 O ATOM 0 H SER A 62 -11.442 1.658 -4.000 1.00 0.00 H new ATOM 0 HA SER A 62 -10.650 -1.055 -4.497 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.152 -0.004 -6.782 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.813 0.083 -6.230 1.00 0.00 H new ATOM 0 HG SER A 62 -11.046 2.125 -7.028 1.00 0.00 H new ATOM 1006 N THR A 63 -8.362 1.257 -4.097 1.00 0.00 N ATOM 1007 CA THR A 63 -6.945 1.449 -3.828 1.00 0.00 C ATOM 1008 C THR A 63 -6.512 0.511 -2.715 1.00 0.00 C ATOM 1009 O THR A 63 -5.541 -0.225 -2.860 1.00 0.00 O ATOM 1010 CB THR A 63 -6.630 2.917 -3.437 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.324 3.802 -4.326 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.138 3.201 -3.517 1.00 0.00 C ATOM 0 H THR A 63 -8.933 2.091 -3.960 1.00 0.00 H new ATOM 0 HA THR A 63 -6.391 1.225 -4.740 1.00 0.00 H new ATOM 0 HB THR A 63 -6.957 3.075 -2.409 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.177 4.729 -4.045 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.949 4.237 -3.237 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.604 2.538 -2.836 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.789 3.031 -4.536 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.279 0.504 -1.630 1.00 0.00 N ATOM 1021 CA LEU A 64 -7.007 -0.371 -0.494 1.00 0.00 C ATOM 1022 C LEU A 64 -6.970 -1.835 -0.916 1.00 0.00 C ATOM 1023 O LEU A 64 -6.112 -2.595 -0.475 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.069 -0.174 0.595 1.00 0.00 C ATOM 1025 CG LEU A 64 -8.011 1.165 1.331 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.195 1.324 2.273 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.718 1.282 2.107 1.00 0.00 C ATOM 0 H LEU A 64 -8.099 1.099 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.027 -0.104 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.055 -0.278 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.969 -0.976 1.326 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.055 1.959 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.128 2.285 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.123 1.280 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.184 0.521 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.691 2.240 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.656 0.473 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.874 1.217 1.420 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.876 -2.221 -1.794 1.00 0.00 N ATOM 1040 CA ARG A 65 -7.977 -3.613 -2.202 1.00 0.00 C ATOM 1041 C ARG A 65 -6.932 -3.961 -3.252 1.00 0.00 C ATOM 1042 O ARG A 65 -6.689 -5.133 -3.522 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.393 -3.935 -2.688 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.202 -4.732 -1.675 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.509 -6.040 -1.316 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.596 -7.011 -2.407 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.917 -8.156 -2.449 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.079 -8.479 -1.474 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.079 -8.982 -3.474 1.00 0.00 N ATOM 0 H ARG A 65 -8.550 -1.596 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.775 -4.235 -1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.915 -3.005 -2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.332 -4.497 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.348 -4.136 -0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.191 -4.942 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.462 -5.846 -1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.963 -6.459 -0.418 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.218 -6.797 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.950 -7.848 -0.683 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.563 -9.358 -1.515 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.722 -8.740 -4.228 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.560 -9.860 -3.509 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.306 -2.949 -3.832 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.190 -3.166 -4.729 1.00 0.00 C ATOM 1065 C GLU A 66 -3.907 -3.267 -3.919 1.00 0.00 C ATOM 1066 O GLU A 66 -3.031 -4.082 -4.211 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.122 -2.025 -5.745 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.918 -2.069 -6.670 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.969 -3.230 -7.640 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.547 -3.060 -8.736 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.441 -4.315 -7.322 1.00 0.00 O ATOM 0 H GLU A 66 -6.555 -1.969 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.322 -4.099 -5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.029 -2.041 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.115 -1.077 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.861 -1.135 -7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.009 -2.139 -6.073 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.834 -2.471 -2.860 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.681 -2.459 -1.989 1.00 0.00 C ATOM 1080 C LEU A 67 -2.617 -3.778 -1.230 1.00 0.00 C ATOM 1081 O LEU A 67 -1.606 -4.479 -1.255 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.790 -1.284 -1.008 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.998 0.085 -1.656 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.083 1.166 -0.593 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.885 0.392 -2.637 1.00 0.00 C ATOM 0 H LEU A 67 -4.572 -1.821 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.771 -2.340 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.619 -1.476 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.883 -1.249 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.939 0.063 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.231 2.135 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.921 0.957 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.158 1.183 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.055 1.371 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.929 0.393 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.869 -0.367 -3.419 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.741 -4.133 -0.611 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.826 -5.330 0.216 1.00 0.00 C ATOM 1099 C GLU A 68 -3.642 -6.590 -0.624 1.00 0.00 C ATOM 1100 O GLU A 68 -2.842 -7.462 -0.284 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.179 -5.387 0.920 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.315 -6.568 1.858 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.728 -7.108 1.899 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.265 -7.450 0.824 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -7.314 -7.191 2.997 1.00 0.00 O ATOM 0 H GLU A 68 -4.610 -3.603 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.028 -5.283 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.327 -4.465 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.969 -5.434 0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.635 -7.359 1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.013 -6.269 2.862 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.392 -6.682 -1.721 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.326 -7.855 -2.597 1.00 0.00 C ATOM 1114 C ARG A 69 -2.908 -8.094 -3.103 1.00 0.00 C ATOM 1115 O ARG A 69 -2.467 -9.236 -3.242 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.277 -7.708 -3.783 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.353 -8.958 -4.633 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.956 -8.671 -5.997 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.268 -7.587 -6.698 1.00 0.00 N ATOM 1120 CZ ARG A 69 -5.512 -7.255 -7.964 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -6.380 -7.959 -8.681 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -4.885 -6.224 -8.516 1.00 0.00 N ATOM 0 H ARG A 69 -5.049 -5.964 -2.025 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.631 -8.716 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.274 -7.463 -3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.951 -6.872 -4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.354 -9.376 -4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.952 -9.711 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.917 -9.575 -6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.008 -8.412 -5.878 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.562 -7.056 -6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.861 -8.755 -8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.566 -7.704 -9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.214 -5.683 -7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.074 -5.972 -9.486 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.191 -7.016 -3.356 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.844 -7.115 -3.890 1.00 0.00 C ATOM 1138 C TYR A 70 0.146 -7.547 -2.815 1.00 0.00 C ATOM 1139 O TYR A 70 0.961 -8.439 -3.036 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.415 -5.778 -4.501 1.00 0.00 C ATOM 1141 CG TYR A 70 1.069 -5.680 -4.762 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.646 -6.262 -5.884 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.894 -5.015 -3.868 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.005 -6.181 -6.108 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.255 -4.931 -4.083 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.806 -5.515 -5.205 1.00 0.00 C ATOM 1147 OH TYR A 70 5.162 -5.434 -5.424 1.00 0.00 O ATOM 0 H TYR A 70 -2.517 -6.062 -3.201 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.847 -7.876 -4.670 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.951 -5.628 -5.438 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.712 -4.971 -3.832 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.021 -6.786 -6.592 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.465 -4.556 -2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.439 -6.637 -6.986 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.885 -4.411 -3.377 1.00 0.00 H new ATOM 0 HH TYR A 70 5.559 -4.803 -4.788 1.00 0.00 H new ATOM 1157 N VAL A 71 0.077 -6.922 -1.654 1.00 0.00 N ATOM 1158 CA VAL A 71 1.025 -7.219 -0.593 1.00 0.00 C ATOM 1159 C VAL A 71 0.824 -8.622 -0.052 1.00 0.00 C ATOM 1160 O VAL A 71 1.790 -9.344 0.166 1.00 0.00 O ATOM 1161 CB VAL A 71 0.931 -6.212 0.559 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.250 -4.817 0.073 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.436 -6.246 1.207 1.00 0.00 C ATOM 0 H VAL A 71 -0.618 -6.212 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 71 2.018 -7.144 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 71 1.667 -6.496 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.178 -4.117 0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.261 -4.796 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.541 -4.531 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.471 -5.521 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.196 -5.998 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.627 -7.244 1.602 1.00 0.00 H new ATOM 1173 N THR A 72 -0.431 -9.010 0.145 1.00 0.00 N ATOM 1174 CA THR A 72 -0.748 -10.327 0.668 1.00 0.00 C ATOM 1175 C THR A 72 -0.212 -11.413 -0.263 1.00 0.00 C ATOM 1176 O THR A 72 0.174 -12.491 0.184 1.00 0.00 O ATOM 1177 CB THR A 72 -2.270 -10.496 0.894 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.523 -11.624 1.736 1.00 0.00 O ATOM 1179 CG2 THR A 72 -3.013 -10.678 -0.417 1.00 0.00 C ATOM 0 H THR A 72 -1.245 -8.427 -0.051 1.00 0.00 H new ATOM 0 HA THR A 72 -0.261 -10.429 1.638 1.00 0.00 H new ATOM 0 HB THR A 72 -2.631 -9.586 1.373 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.489 -11.720 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.079 -10.794 -0.218 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.854 -9.805 -1.049 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.640 -11.567 -0.926 1.00 0.00 H new ATOM 1187 N SER A 73 -0.143 -11.101 -1.553 1.00 0.00 N ATOM 1188 CA SER A 73 0.403 -12.028 -2.531 1.00 0.00 C ATOM 1189 C SER A 73 1.900 -12.236 -2.276 1.00 0.00 C ATOM 1190 O SER A 73 2.466 -13.281 -2.599 1.00 0.00 O ATOM 1191 CB SER A 73 0.163 -11.503 -3.955 1.00 0.00 C ATOM 1192 OG SER A 73 1.198 -10.631 -4.376 1.00 0.00 O ATOM 0 H SER A 73 -0.459 -10.213 -1.943 1.00 0.00 H new ATOM 0 HA SER A 73 -0.103 -12.988 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.093 -12.344 -4.645 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.792 -10.979 -3.993 1.00 0.00 H new ATOM 0 HG SER A 73 0.970 -9.710 -4.130 1.00 0.00 H new ATOM 1198 N CYS A 74 2.524 -11.222 -1.683 1.00 0.00 N ATOM 1199 CA CYS A 74 3.948 -11.244 -1.385 1.00 0.00 C ATOM 1200 C CYS A 74 4.220 -11.817 0.014 1.00 0.00 C ATOM 1201 O CYS A 74 5.066 -12.698 0.171 1.00 0.00 O ATOM 1202 CB CYS A 74 4.525 -9.828 -1.513 1.00 0.00 C ATOM 1203 SG CYS A 74 6.309 -9.720 -1.242 1.00 0.00 S ATOM 0 H CYS A 74 2.054 -10.363 -1.397 1.00 0.00 H new ATOM 0 HA CYS A 74 4.440 -11.898 -2.105 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.297 -9.445 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.021 -9.178 -0.798 1.00 0.00 H new ATOM 0 HG CYS A 74 6.540 -9.298 -0.034 1.00 0.00 H new ATOM 1209 N LEU A 75 3.510 -11.298 1.024 1.00 0.00 N ATOM 1210 CA LEU A 75 3.652 -11.753 2.413 1.00 0.00 C ATOM 1211 C LEU A 75 3.444 -13.259 2.537 1.00 0.00 C ATOM 1212 O LEU A 75 4.130 -13.927 3.309 1.00 0.00 O ATOM 1213 CB LEU A 75 2.634 -11.053 3.315 1.00 0.00 C ATOM 1214 CG LEU A 75 2.354 -9.601 2.988 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.156 -9.131 3.777 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.570 -8.750 3.298 1.00 0.00 C ATOM 0 H LEU A 75 2.823 -10.554 0.902 1.00 0.00 H new ATOM 0 HA LEU A 75 4.667 -11.505 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.695 -11.604 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.987 -11.113 4.344 1.00 0.00 H new ATOM 0 HG LEU A 75 2.136 -9.504 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.953 -8.086 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.288 -9.736 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.360 -9.231 4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.356 -7.708 3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.814 -8.836 4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.416 -9.093 2.702 1.00 0.00 H new ATOM 1228 N ARG A 76 2.496 -13.783 1.771 1.00 0.00 N ATOM 1229 CA ARG A 76 2.149 -15.203 1.808 1.00 0.00 C ATOM 1230 C ARG A 76 3.180 -16.060 1.074 1.00 0.00 C ATOM 1231 O ARG A 76 2.863 -17.131 0.553 1.00 0.00 O ATOM 1232 CB ARG A 76 0.763 -15.411 1.206 1.00 0.00 C ATOM 1233 CG ARG A 76 -0.361 -14.950 2.109 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.676 -14.907 1.359 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.008 -16.196 0.756 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.187 -16.481 0.214 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -4.172 -15.589 0.249 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.382 -17.664 -0.350 1.00 0.00 N ATOM 0 H ARG A 76 1.945 -13.239 1.107 1.00 0.00 H new ATOM 0 HA ARG A 76 2.145 -15.520 2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.702 -14.874 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.628 -16.469 0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.446 -15.623 2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.132 -13.961 2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.473 -14.611 2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.624 -14.146 0.581 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.291 -16.921 0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.024 -14.683 0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.076 -15.811 -0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.629 -18.351 -0.367 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.286 -17.887 -0.767 1.00 0.00 H new ATOM 1252 N LYS A 77 4.410 -15.579 1.042 1.00 0.00 N ATOM 1253 CA LYS A 77 5.500 -16.253 0.357 1.00 0.00 C ATOM 1254 C LYS A 77 6.785 -16.047 1.144 1.00 0.00 C ATOM 1255 O LYS A 77 6.767 -15.450 2.224 1.00 0.00 O ATOM 1256 CB LYS A 77 5.654 -15.711 -1.068 1.00 0.00 C ATOM 1257 CG LYS A 77 4.692 -16.339 -2.064 1.00 0.00 C ATOM 1258 CD LYS A 77 4.703 -15.602 -3.397 1.00 0.00 C ATOM 1259 CE LYS A 77 3.882 -16.325 -4.460 1.00 0.00 C ATOM 1260 NZ LYS A 77 3.909 -15.600 -5.756 1.00 0.00 N ATOM 0 H LYS A 77 4.683 -14.706 1.493 1.00 0.00 H new ATOM 0 HA LYS A 77 5.282 -17.319 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.499 -14.632 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.676 -15.883 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.962 -17.383 -2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.683 -16.330 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.308 -14.596 -3.257 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.731 -15.496 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.271 -17.334 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.851 -16.425 -4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.341 -16.119 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.515 -14.646 -5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.890 -15.527 -6.092 1.00 0.00 H new ATOM 1274 N LYS A 78 7.899 -16.521 0.612 1.00 0.00 N ATOM 1275 CA LYS A 78 9.182 -16.327 1.269 1.00 0.00 C ATOM 1276 C LYS A 78 9.807 -15.036 0.766 1.00 0.00 C ATOM 1277 O LYS A 78 10.744 -15.042 -0.033 1.00 0.00 O ATOM 1278 CB LYS A 78 10.111 -17.535 1.057 1.00 0.00 C ATOM 1279 CG LYS A 78 9.857 -18.682 2.028 1.00 0.00 C ATOM 1280 CD LYS A 78 10.205 -18.296 3.458 1.00 0.00 C ATOM 1281 CE LYS A 78 9.880 -19.414 4.433 1.00 0.00 C ATOM 1282 NZ LYS A 78 10.720 -20.618 4.205 1.00 0.00 N ATOM 0 H LYS A 78 7.942 -17.039 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 78 9.027 -16.246 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.990 -17.901 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.146 -17.208 1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.809 -18.978 1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.448 -19.548 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.266 -18.053 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.655 -17.397 3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.026 -19.059 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.828 -19.683 4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.562 -21.302 4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.464 -21.053 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.723 -20.343 4.188 1.00 0.00 H new ATOM 1296 N ARG A 79 9.261 -13.927 1.249 1.00 0.00 N ATOM 1297 CA ARG A 79 9.619 -12.602 0.762 1.00 0.00 C ATOM 1298 C ARG A 79 10.897 -12.075 1.406 1.00 0.00 C ATOM 1299 O ARG A 79 10.881 -11.107 2.166 1.00 0.00 O ATOM 1300 CB ARG A 79 8.451 -11.615 0.957 1.00 0.00 C ATOM 1301 CG ARG A 79 7.600 -11.835 2.210 1.00 0.00 C ATOM 1302 CD ARG A 79 8.331 -11.464 3.489 1.00 0.00 C ATOM 1303 NE ARG A 79 7.473 -11.583 4.667 1.00 0.00 N ATOM 1304 CZ ARG A 79 7.852 -11.252 5.900 1.00 0.00 C ATOM 1305 NH1 ARG A 79 9.094 -10.845 6.133 1.00 0.00 N ATOM 1306 NH2 ARG A 79 6.989 -11.344 6.904 1.00 0.00 N ATOM 0 H ARG A 79 8.558 -13.921 1.988 1.00 0.00 H new ATOM 0 HA ARG A 79 9.819 -12.694 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.855 -10.603 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.801 -11.672 0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.688 -11.243 2.133 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.298 -12.881 2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.202 -12.109 3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.700 -10.441 3.412 1.00 0.00 H new ATOM 0 HE ARG A 79 6.527 -11.941 4.536 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.763 -10.785 5.366 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.379 -10.593 7.079 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.037 -11.668 6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.277 -11.091 7.849 1.00 0.00 H new ATOM 1320 N LYS A 80 12.015 -12.692 1.065 1.00 0.00 N ATOM 1321 CA LYS A 80 13.301 -12.266 1.594 1.00 0.00 C ATOM 1322 C LYS A 80 14.359 -12.045 0.498 1.00 0.00 C ATOM 1323 O LYS A 80 15.509 -12.444 0.673 1.00 0.00 O ATOM 1324 CB LYS A 80 13.810 -13.296 2.606 1.00 0.00 C ATOM 1325 CG LYS A 80 13.878 -14.718 2.061 1.00 0.00 C ATOM 1326 CD LYS A 80 14.431 -15.690 3.094 1.00 0.00 C ATOM 1327 CE LYS A 80 15.879 -15.375 3.445 1.00 0.00 C ATOM 1328 NZ LYS A 80 16.411 -16.290 4.490 1.00 0.00 N ATOM 0 H LYS A 80 12.060 -13.487 0.427 1.00 0.00 H new ATOM 0 HA LYS A 80 13.142 -11.303 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.803 -12.999 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.159 -13.284 3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.882 -15.039 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.506 -14.737 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.821 -15.649 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.363 -16.708 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.494 -15.452 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.952 -14.345 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.399 -16.041 4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.840 -16.199 5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.366 -17.271 4.148 1.00 0.00 H new ATOM 1342 N PRO A 81 14.023 -11.387 -0.637 1.00 0.00 N ATOM 1343 CA PRO A 81 15.013 -11.110 -1.679 1.00 0.00 C ATOM 1344 C PRO A 81 15.910 -9.937 -1.296 1.00 0.00 C ATOM 1345 O PRO A 81 17.115 -9.947 -1.541 1.00 0.00 O ATOM 1346 CB PRO A 81 14.155 -10.763 -2.894 1.00 0.00 C ATOM 1347 CG PRO A 81 12.918 -10.168 -2.320 1.00 0.00 C ATOM 1348 CD PRO A 81 12.688 -10.865 -1.004 1.00 0.00 C ATOM 0 HA PRO A 81 15.688 -11.948 -1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.665 -10.060 -3.552 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.931 -11.649 -3.487 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.033 -9.094 -2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.070 -10.311 -2.990 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.307 -10.177 -0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.958 -11.669 -1.100 1.00 0.00 H new ATOM 1356 N GLN A 82 15.303 -8.935 -0.677 1.00 0.00 N ATOM 1357 CA GLN A 82 16.014 -7.752 -0.227 1.00 0.00 C ATOM 1358 C GLN A 82 15.685 -7.496 1.246 1.00 0.00 C ATOM 1359 O GLN A 82 15.635 -6.355 1.704 1.00 0.00 O ATOM 1360 CB GLN A 82 15.609 -6.552 -1.093 1.00 0.00 C ATOM 1361 CG GLN A 82 16.481 -5.319 -0.910 1.00 0.00 C ATOM 1362 CD GLN A 82 15.921 -4.110 -1.631 1.00 0.00 C ATOM 1363 OE1 GLN A 82 14.708 -3.987 -1.803 1.00 0.00 O ATOM 1364 NE2 GLN A 82 16.794 -3.213 -2.057 1.00 0.00 N ATOM 0 H GLN A 82 14.304 -8.921 -0.474 1.00 0.00 H new ATOM 0 HA GLN A 82 17.089 -7.901 -0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.638 -6.850 -2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.576 -6.288 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.573 -5.096 0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.485 -5.528 -1.280 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.791 -3.354 -1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.471 -2.380 -2.549 1.00 0.00 H new ATOM 1373 N ALA A 83 15.445 -8.575 1.981 1.00 0.00 N ATOM 1374 CA ALA A 83 15.091 -8.480 3.391 1.00 0.00 C ATOM 1375 C ALA A 83 15.382 -9.794 4.103 1.00 0.00 C ATOM 1376 O ALA A 83 14.425 -10.495 4.498 1.00 0.00 O ATOM 1377 CB ALA A 83 13.624 -8.100 3.548 1.00 0.00 C ATOM 1378 OXT ALA A 83 16.572 -10.136 4.248 1.00 0.00 O ATOM 0 H ALA A 83 15.489 -9.529 1.622 1.00 0.00 H new ATOM 0 HA ALA A 83 15.699 -7.699 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.377 -8.033 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.445 -7.136 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.999 -8.859 3.077 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -7.255 8.833 11.327 1.00 0.00 N ATOM 1386 CA GLU B 201 -5.898 9.421 11.400 1.00 0.00 C ATOM 1387 C GLU B 201 -4.830 8.341 11.230 1.00 0.00 C ATOM 1388 O GLU B 201 -4.267 7.850 12.209 1.00 0.00 O ATOM 1389 CB GLU B 201 -5.703 10.135 12.739 1.00 0.00 C ATOM 1390 CG GLU B 201 -6.667 11.288 12.967 1.00 0.00 C ATOM 1391 CD GLU B 201 -6.573 12.344 11.889 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -5.699 13.226 11.989 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -7.368 12.290 10.930 1.00 0.00 O ATOM 0 HA GLU B 201 -5.796 10.143 10.590 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -5.820 9.412 13.546 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -4.682 10.512 12.794 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -7.686 10.903 13.006 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -6.461 11.743 13.936 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.558 7.966 9.984 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.544 6.960 9.689 1.00 0.00 C ATOM 1404 C ILE B 202 -2.699 7.389 8.493 1.00 0.00 C ATOM 1405 O ILE B 202 -3.212 7.543 7.381 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.165 5.572 9.398 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -4.989 5.090 10.598 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.076 4.561 9.053 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -5.494 3.671 10.464 1.00 0.00 C ATOM 0 H ILE B 202 -5.027 8.345 9.161 1.00 0.00 H new ATOM 0 HA ILE B 202 -2.918 6.874 10.577 1.00 0.00 H new ATOM 0 HB ILE B 202 -4.831 5.665 8.540 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -4.379 5.165 11.498 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.840 5.757 10.733 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -3.531 3.591 8.851 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -2.533 4.898 8.170 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.385 4.471 9.891 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -6.067 3.404 11.352 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -6.131 3.593 9.583 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -4.648 2.992 10.360 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.411 7.594 8.735 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.483 7.998 7.688 1.00 0.00 C ATOM 1423 C LYS B 203 0.624 6.967 7.524 1.00 0.00 C ATOM 1424 O LYS B 203 1.232 6.538 8.505 1.00 0.00 O ATOM 1425 CB LYS B 203 0.131 9.362 8.012 1.00 0.00 C ATOM 1426 CG LYS B 203 -0.874 10.497 7.993 1.00 0.00 C ATOM 1427 CD LYS B 203 -0.215 11.844 8.200 1.00 0.00 C ATOM 1428 CE LYS B 203 -1.187 12.970 7.897 1.00 0.00 C ATOM 1429 NZ LYS B 203 -1.795 12.822 6.546 1.00 0.00 N ATOM 0 H LYS B 203 -0.983 7.486 9.655 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.041 8.070 6.754 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.598 9.317 8.996 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.922 9.576 7.293 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -1.404 10.496 7.040 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -1.619 10.335 8.772 1.00 0.00 H new ATOM 0 HD2 LYS B 203 0.137 11.928 9.228 1.00 0.00 H new ATOM 0 HD3 LYS B 203 0.660 11.929 7.556 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -1.974 12.984 8.651 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -0.668 13.926 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 -2.050 13.760 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -1.112 12.370 5.905 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 -2.649 12.232 6.612 1.00 0.00 H new ATOM 1443 N LEU B 204 0.886 6.566 6.288 1.00 0.00 N ATOM 1444 CA LEU B 204 1.966 5.630 6.017 1.00 0.00 C ATOM 1445 C LEU B 204 3.071 6.327 5.239 1.00 0.00 C ATOM 1446 O LEU B 204 2.995 6.465 4.016 1.00 0.00 O ATOM 1447 CB LEU B 204 1.477 4.412 5.220 1.00 0.00 C ATOM 1448 CG LEU B 204 2.131 3.063 5.587 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.799 2.005 4.548 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.643 3.182 5.740 1.00 0.00 C ATOM 0 H LEU B 204 0.370 6.872 5.463 1.00 0.00 H new ATOM 0 HA LEU B 204 2.346 5.279 6.977 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.399 4.321 5.356 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.649 4.602 4.161 1.00 0.00 H new ATOM 0 HG LEU B 204 1.720 2.763 6.551 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.270 1.062 4.826 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.718 1.870 4.498 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.170 2.323 3.574 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.060 2.209 5.998 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.078 3.526 4.801 1.00 0.00 H new ATOM 0 HD23 LEU B 204 3.874 3.897 6.530 1.00 0.00 H new ATOM 1462 N LYS B 205 4.084 6.781 5.951 1.00 0.00 N ATOM 1463 CA LYS B 205 5.270 7.318 5.316 1.00 0.00 C ATOM 1464 C LYS B 205 6.187 6.181 4.904 1.00 0.00 C ATOM 1465 O LYS B 205 7.111 5.830 5.639 1.00 0.00 O ATOM 1466 CB LYS B 205 6.024 8.253 6.262 1.00 0.00 C ATOM 1467 CG LYS B 205 5.381 9.613 6.450 1.00 0.00 C ATOM 1468 CD LYS B 205 5.326 10.382 5.144 1.00 0.00 C ATOM 1469 CE LYS B 205 5.089 11.860 5.383 1.00 0.00 C ATOM 1470 NZ LYS B 205 3.923 12.101 6.279 1.00 0.00 N ATOM 0 H LYS B 205 4.109 6.788 6.971 1.00 0.00 H new ATOM 0 HA LYS B 205 4.959 7.886 4.439 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.113 7.770 7.235 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.036 8.393 5.883 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.372 9.489 6.844 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.944 10.185 7.188 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.260 10.245 4.600 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.530 9.981 4.517 1.00 0.00 H new ATOM 0 HE2 LYS B 205 5.982 12.304 5.823 1.00 0.00 H new ATOM 0 HE3 LYS B 205 4.922 12.359 4.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 3.627 13.095 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 3.135 11.483 5.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.192 11.893 7.262 1.00 0.00 H new ATOM 1484 N ILE B 206 5.921 5.573 3.756 1.00 0.00 N ATOM 1485 CA ILE B 206 6.807 4.530 3.277 1.00 0.00 C ATOM 1486 C ILE B 206 8.116 5.162 2.826 1.00 0.00 C ATOM 1487 O ILE B 206 8.154 5.862 1.813 1.00 0.00 O ATOM 1488 CB ILE B 206 6.256 3.703 2.094 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.752 3.478 2.149 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.922 2.353 2.118 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.212 2.800 0.905 1.00 0.00 C ATOM 0 H ILE B 206 5.122 5.778 3.156 1.00 0.00 H new ATOM 0 HA ILE B 206 6.930 3.844 4.115 1.00 0.00 H new ATOM 0 HB ILE B 206 6.466 4.268 1.186 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.512 2.870 3.021 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.251 4.437 2.281 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.549 1.749 1.291 1.00 0.00 H new ATOM 0 HG22 ILE B 206 8.000 2.477 2.019 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.699 1.854 3.061 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.135 2.666 1.002 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.424 3.418 0.033 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.689 1.827 0.785 1.00 0.00 H new ATOM 1503 N THR B 207 9.173 4.925 3.573 1.00 0.00 N ATOM 1504 CA THR B 207 10.469 5.498 3.259 1.00 0.00 C ATOM 1505 C THR B 207 11.299 4.519 2.430 1.00 0.00 C ATOM 1506 O THR B 207 11.843 3.551 2.967 1.00 0.00 O ATOM 1507 CB THR B 207 11.223 5.840 4.555 1.00 0.00 C ATOM 1508 OG1 THR B 207 10.295 6.333 5.526 1.00 0.00 O ATOM 1509 CG2 THR B 207 12.285 6.894 4.319 1.00 0.00 C ATOM 0 H THR B 207 9.162 4.337 4.406 1.00 0.00 H new ATOM 0 HA THR B 207 10.312 6.408 2.681 1.00 0.00 H new ATOM 0 HB THR B 207 11.709 4.931 4.910 1.00 0.00 H new ATOM 0 HG1 THR B 207 10.023 7.243 5.286 1.00 0.00 H new ATOM 0 HG21 THR B 207 12.797 7.111 5.256 1.00 0.00 H new ATOM 0 HG22 THR B 207 13.006 6.527 3.588 1.00 0.00 H new ATOM 0 HG23 THR B 207 11.817 7.804 3.942 1.00 0.00 H new ATOM 1517 N LYS B 208 11.389 4.763 1.123 1.00 0.00 N ATOM 1518 CA LYS B 208 12.139 3.877 0.235 1.00 0.00 C ATOM 1519 C LYS B 208 12.389 4.536 -1.121 1.00 0.00 C ATOM 1520 O LYS B 208 12.139 5.726 -1.282 1.00 0.00 O ATOM 1521 CB LYS B 208 11.434 2.511 0.071 1.00 0.00 C ATOM 1522 CG LYS B 208 10.239 2.470 -0.886 1.00 0.00 C ATOM 1523 CD LYS B 208 9.109 3.386 -0.463 1.00 0.00 C ATOM 1524 CE LYS B 208 9.144 4.674 -1.255 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.148 5.654 -0.778 1.00 0.00 N ATOM 0 H LYS B 208 10.955 5.561 0.659 1.00 0.00 H new ATOM 0 HA LYS B 208 13.108 3.692 0.699 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.171 1.785 -0.272 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.096 2.181 1.053 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.571 2.750 -1.886 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.866 1.448 -0.949 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.152 2.886 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.190 3.605 0.602 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.140 5.111 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.960 4.456 -2.307 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.140 6.478 -1.413 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.205 5.215 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.396 5.961 0.184 1.00 0.00 H new ATOM 1539 N THR B 209 12.890 3.744 -2.074 1.00 0.00 N ATOM 1540 CA THR B 209 13.259 4.199 -3.426 1.00 0.00 C ATOM 1541 C THR B 209 14.325 5.294 -3.387 1.00 0.00 C ATOM 1542 O THR B 209 14.548 5.994 -4.375 1.00 0.00 O ATOM 1543 CB THR B 209 12.049 4.677 -4.282 1.00 0.00 C ATOM 1544 OG1 THR B 209 11.439 5.847 -3.722 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.998 3.586 -4.412 1.00 0.00 C ATOM 0 H THR B 209 13.055 2.748 -1.928 1.00 0.00 H new ATOM 0 HA THR B 209 13.668 3.314 -3.913 1.00 0.00 H new ATOM 0 HB THR B 209 12.442 4.918 -5.270 1.00 0.00 H new ATOM 0 HG1 THR B 209 11.937 6.126 -2.925 1.00 0.00 H new ATOM 0 HG21 THR B 209 10.167 3.951 -5.015 1.00 0.00 H new ATOM 0 HG22 THR B 209 11.438 2.712 -4.892 1.00 0.00 H new ATOM 0 HG23 THR B 209 10.634 3.311 -3.422 1.00 0.00 H new ATOM 1553 N ILE B 210 14.998 5.415 -2.249 1.00 0.00 N ATOM 1554 CA ILE B 210 16.040 6.413 -2.075 1.00 0.00 C ATOM 1555 C ILE B 210 17.249 6.070 -2.944 1.00 0.00 C ATOM 1556 O ILE B 210 17.723 4.930 -2.954 1.00 0.00 O ATOM 1557 CB ILE B 210 16.457 6.534 -0.586 1.00 0.00 C ATOM 1558 CG1 ILE B 210 17.569 7.574 -0.410 1.00 0.00 C ATOM 1559 CG2 ILE B 210 16.893 5.186 -0.025 1.00 0.00 C ATOM 1560 CD1 ILE B 210 17.142 8.988 -0.742 1.00 0.00 C ATOM 0 H ILE B 210 14.837 4.829 -1.430 1.00 0.00 H new ATOM 0 HA ILE B 210 15.643 7.378 -2.389 1.00 0.00 H new ATOM 0 HB ILE B 210 15.584 6.868 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE B 210 17.922 7.544 0.621 1.00 0.00 H new ATOM 0 HG13 ILE B 210 18.413 7.301 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE B 210 17.179 5.302 1.020 1.00 0.00 H new ATOM 0 HG22 ILE B 210 16.068 4.477 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE B 210 17.744 4.813 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE B 210 17.982 9.666 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE B 210 16.817 9.035 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE B 210 16.319 9.282 -0.091 1.00 0.00 H new ATOM 1572 N GLN B 211 17.718 7.055 -3.697 1.00 0.00 N ATOM 1573 CA GLN B 211 18.839 6.866 -4.606 1.00 0.00 C ATOM 1574 C GLN B 211 20.112 6.525 -3.844 1.00 0.00 C ATOM 1575 O GLN B 211 20.372 7.066 -2.768 1.00 0.00 O ATOM 1576 CB GLN B 211 19.051 8.120 -5.458 1.00 0.00 C ATOM 1577 CG GLN B 211 19.300 9.383 -4.648 1.00 0.00 C ATOM 1578 CD GLN B 211 19.485 10.610 -5.518 1.00 0.00 C ATOM 1579 OE1 GLN B 211 18.848 10.622 -6.679 1.00 0.00 O flip ATOM 1580 NE2 GLN B 211 20.198 11.543 -5.149 1.00 0.00 N flip ATOM 0 H GLN B 211 17.336 8.001 -3.695 1.00 0.00 H new ATOM 0 HA GLN B 211 18.603 6.029 -5.263 1.00 0.00 H new ATOM 0 HB2 GLN B 211 19.898 7.955 -6.124 1.00 0.00 H new ATOM 0 HB3 GLN B 211 18.174 8.271 -6.088 1.00 0.00 H new ATOM 0 HG2 GLN B 211 18.462 9.546 -3.971 1.00 0.00 H new ATOM 0 HG3 GLN B 211 20.187 9.244 -4.030 1.00 0.00 H new ATOM 0 HE21 GLN B 211 20.672 11.497 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN B 211 20.314 12.363 -5.745 1.00 0.00 H new ATOM 1589 N ASN B 212 20.893 5.619 -4.403 1.00 0.00 N ATOM 1590 CA ASN B 212 22.139 5.202 -3.790 1.00 0.00 C ATOM 1591 C ASN B 212 23.286 5.376 -4.774 1.00 0.00 C ATOM 1592 O ASN B 212 24.239 6.106 -4.441 1.00 0.00 O ATOM 1593 CB ASN B 212 22.050 3.753 -3.287 1.00 0.00 C ATOM 1594 CG ASN B 212 21.724 2.749 -4.378 1.00 0.00 C ATOM 1595 OD1 ASN B 212 20.555 2.508 -4.686 1.00 0.00 O ATOM 1596 ND2 ASN B 212 22.749 2.137 -4.950 1.00 0.00 N ATOM 1597 OXT ASN B 212 23.205 4.832 -5.895 1.00 0.00 O ATOM 0 H ASN B 212 20.684 5.155 -5.287 1.00 0.00 H new ATOM 0 HA ASN B 212 22.330 5.834 -2.923 1.00 0.00 H new ATOM 0 HB2 ASN B 212 22.998 3.479 -2.825 1.00 0.00 H new ATOM 0 HB3 ASN B 212 21.288 3.693 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN B 212 22.586 1.437 -5.674 1.00 0.00 H new ATOM 0 HD22 ASN B 212 23.702 2.365 -4.667 1.00 0.00 H new TER 1604 ASN B 212