USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 979 hydrogens (91 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 NoAdj-H: A 42 ASNHD21 : A 42 ASN ND2 : A 117 B6D C1 :(H bumps) USER MOD Set 1.1: A 119 A2G O3 : rot 180:sc= 0 USER MOD Set 1.2: A 120 A2G O6 : rot 180:sc= 0 USER MOD Set 2.1: A 118 A2G O3 : rot 180:sc= 0 USER MOD Set 2.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 34 GLN : amide:sc= -5.76! C(o=-6.3!,f=-7.1!) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 142:sc= -1.04 (180deg=-3.59!) USER MOD Single : A 7 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.083) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.8!) USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0126) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.117 (180deg=-0.523) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -3.58 K(o=-3.6,f=-4.6!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.054) USER MOD Single : A 38 SER OG : rot -80:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0245 (180deg=-0.197) USER MOD Single : A 44 SER OG : rot 107:sc= 0.00496 USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= -0.117 (180deg=-0.713) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 170:sc= 0 USER MOD Single : A 54 SER OG : rot 150:sc= -0.935 USER MOD Single : A 55 GLN : amide:sc= -0.0767 X(o=-0.077,f=-0.34) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 67 HIS : no HE2:sc= -3.9! C(o=-3.9!,f=-8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0408 X(o=-0.041,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.105 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 80:sc= -0.784 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00398 USER MOD Single : A 101 ASN : amide:sc= -0.0511 X(o=-0.051,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.832 K(o=-0.83,f=-3!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 112 HIS : no HD1:sc= -3.62 X(o=-3.6,f=-3.8) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0.00381 X(o=0.0038,f=-0.28) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 118 A2G O6 : rot -22:sc= 0.327 USER MOD Single : A 121 A2G O3 : rot 180:sc= -0.0813 USER MOD Single : A 121 A2G O6 : rot 180:sc= 0 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 139:sc= 0.57 USER MOD Single : A 122 A2G O6 : rot 180:sc= 0.544 USER MOD Single : A 123 BGC O2 : rot 180:sc= 0 USER MOD Single : A 123 BGC O3 : rot 180:sc= 0 USER MOD Single : A 123 BGC O4 : rot 170:sc= 0 USER MOD Single : A 123 BGC O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.555 -0.450 -0.156 1.00 72.10 N ATOM 2 CA ASP A 1 3.009 -0.327 -0.147 1.00 14.52 C ATOM 3 C ASP A 1 3.449 0.960 -0.839 1.00 3.44 C ATOM 4 O ASP A 1 3.751 0.964 -2.031 1.00 54.41 O ATOM 5 CB ASP A 1 3.647 -1.534 -0.835 1.00 43.21 C ATOM 6 CG ASP A 1 5.057 -1.800 -0.345 1.00 2.24 C ATOM 7 OD1 ASP A 1 5.946 -0.965 -0.615 1.00 64.01 O ATOM 8 OD2 ASP A 1 5.273 -2.843 0.308 1.00 31.15 O ATOM 0 H1 ASP A 1 1.278 -1.332 0.320 1.00 72.10 H new ATOM 0 H2 ASP A 1 1.135 0.359 0.344 1.00 72.10 H new ATOM 0 H3 ASP A 1 1.214 -0.465 -1.138 1.00 72.10 H new ATOM 0 HA ASP A 1 3.341 -0.292 0.891 1.00 14.52 H new ATOM 0 HB2 ASP A 1 3.032 -2.416 -0.659 1.00 43.21 H new ATOM 0 HB3 ASP A 1 3.665 -1.367 -1.912 1.00 43.21 H new ATOM 13 N VAL A 2 3.483 2.051 -0.080 1.00 12.02 N ATOM 14 CA VAL A 2 3.886 3.344 -0.619 1.00 15.24 C ATOM 15 C VAL A 2 5.045 3.935 0.177 1.00 22.23 C ATOM 16 O VAL A 2 5.152 3.722 1.385 1.00 3.10 O ATOM 17 CB VAL A 2 2.714 4.344 -0.615 1.00 52.13 C ATOM 18 CG1 VAL A 2 3.125 5.651 -1.279 1.00 72.41 C ATOM 19 CG2 VAL A 2 1.500 3.743 -1.309 1.00 11.54 C ATOM 0 H VAL A 2 3.236 2.065 0.910 1.00 12.02 H new ATOM 0 HA VAL A 2 4.205 3.172 -1.647 1.00 15.24 H new ATOM 0 HB VAL A 2 2.445 4.558 0.419 1.00 52.13 H new ATOM 0 HG11 VAL A 2 2.285 6.345 -1.267 1.00 72.41 H new ATOM 0 HG12 VAL A 2 3.964 6.087 -0.736 1.00 72.41 H new ATOM 0 HG13 VAL A 2 3.421 5.458 -2.310 1.00 72.41 H new ATOM 0 HG21 VAL A 2 0.681 4.462 -1.297 1.00 11.54 H new ATOM 0 HG22 VAL A 2 1.754 3.499 -2.341 1.00 11.54 H new ATOM 0 HG23 VAL A 2 1.194 2.836 -0.787 1.00 11.54 H new ATOM 29 N ILE A 3 5.909 4.676 -0.508 1.00 71.33 N ATOM 30 CA ILE A 3 7.060 5.297 0.136 1.00 14.45 C ATOM 31 C ILE A 3 6.863 6.803 0.277 1.00 41.30 C ATOM 32 O ILE A 3 6.325 7.455 -0.618 1.00 45.44 O ATOM 33 CB ILE A 3 8.357 5.031 -0.651 1.00 13.24 C ATOM 34 CG1 ILE A 3 8.581 3.527 -0.812 1.00 55.05 C ATOM 35 CG2 ILE A 3 9.543 5.677 0.050 1.00 31.42 C ATOM 36 CD1 ILE A 3 9.945 3.175 -1.365 1.00 23.11 C ATOM 0 H ILE A 3 5.834 4.861 -1.508 1.00 71.33 H new ATOM 0 HA ILE A 3 7.148 4.850 1.126 1.00 14.45 H new ATOM 0 HB ILE A 3 8.261 5.473 -1.643 1.00 13.24 H new ATOM 0 HG12 ILE A 3 8.455 3.043 0.157 1.00 55.05 H new ATOM 0 HG13 ILE A 3 7.814 3.122 -1.473 1.00 55.05 H new ATOM 0 HG21 ILE A 3 10.452 5.480 -0.518 1.00 31.42 H new ATOM 0 HG22 ILE A 3 9.383 6.753 0.118 1.00 31.42 H new ATOM 0 HG23 ILE A 3 9.644 5.261 1.052 1.00 31.42 H new ATOM 0 HD11 ILE A 3 10.034 2.092 -1.452 1.00 23.11 H new ATOM 0 HD12 ILE A 3 10.067 3.630 -2.348 1.00 23.11 H new ATOM 0 HD13 ILE A 3 10.718 3.549 -0.693 1.00 23.11 H new ATOM 48 N ILE A 4 7.304 7.348 1.406 1.00 12.53 N ATOM 49 CA ILE A 4 7.179 8.777 1.663 1.00 14.42 C ATOM 50 C ILE A 4 8.435 9.525 1.228 1.00 55.42 C ATOM 51 O ILE A 4 9.551 9.144 1.578 1.00 1.00 O ATOM 52 CB ILE A 4 6.916 9.061 3.154 1.00 40.25 C ATOM 53 CG1 ILE A 4 5.663 8.320 3.623 1.00 22.24 C ATOM 54 CG2 ILE A 4 6.774 10.557 3.391 1.00 70.15 C ATOM 55 CD1 ILE A 4 5.563 8.196 5.127 1.00 32.41 C ATOM 0 H ILE A 4 7.751 6.822 2.157 1.00 12.53 H new ATOM 0 HA ILE A 4 6.328 9.129 1.080 1.00 14.42 H new ATOM 0 HB ILE A 4 7.766 8.701 3.733 1.00 40.25 H new ATOM 0 HG12 ILE A 4 4.781 8.841 3.250 1.00 22.24 H new ATOM 0 HG13 ILE A 4 5.654 7.323 3.183 1.00 22.24 H new ATOM 0 HG21 ILE A 4 6.588 10.742 4.449 1.00 70.15 H new ATOM 0 HG22 ILE A 4 7.692 11.062 3.090 1.00 70.15 H new ATOM 0 HG23 ILE A 4 5.940 10.941 2.804 1.00 70.15 H new ATOM 0 HD11 ILE A 4 4.651 7.660 5.388 1.00 32.41 H new ATOM 0 HD12 ILE A 4 6.426 7.648 5.505 1.00 32.41 H new ATOM 0 HD13 ILE A 4 5.540 9.190 5.573 1.00 32.41 H new ATOM 67 N LYS A 5 8.244 10.595 0.462 1.00 43.41 N ATOM 68 CA LYS A 5 9.360 11.401 -0.019 1.00 72.00 C ATOM 69 C LYS A 5 9.099 12.885 0.213 1.00 54.23 C ATOM 70 O LYS A 5 7.956 13.330 0.317 1.00 55.41 O ATOM 71 CB LYS A 5 9.599 11.141 -1.508 1.00 34.53 C ATOM 72 CG LYS A 5 9.320 9.707 -1.927 1.00 1.44 C ATOM 73 CD LYS A 5 10.497 8.797 -1.619 1.00 73.02 C ATOM 74 CE LYS A 5 10.843 7.912 -2.807 1.00 52.04 C ATOM 75 NZ LYS A 5 9.894 6.773 -2.945 1.00 75.04 N ATOM 0 H LYS A 5 7.326 10.924 0.161 1.00 43.41 H new ATOM 0 HA LYS A 5 10.250 11.115 0.541 1.00 72.00 H new ATOM 0 HB2 LYS A 5 8.967 11.811 -2.091 1.00 34.53 H new ATOM 0 HB3 LYS A 5 10.633 11.387 -1.750 1.00 34.53 H new ATOM 0 HG2 LYS A 5 8.432 9.342 -1.411 1.00 1.44 H new ATOM 0 HG3 LYS A 5 9.104 9.675 -2.995 1.00 1.44 H new ATOM 0 HD2 LYS A 5 11.364 9.400 -1.349 1.00 73.02 H new ATOM 0 HD3 LYS A 5 10.261 8.174 -0.756 1.00 73.02 H new ATOM 0 HE2 LYS A 5 10.830 8.508 -3.720 1.00 52.04 H new ATOM 0 HE3 LYS A 5 11.857 7.528 -2.691 1.00 52.04 H new ATOM 0 HZ1 LYS A 5 9.706 6.598 -3.953 1.00 75.04 H new ATOM 0 HZ2 LYS A 5 10.310 5.921 -2.517 1.00 75.04 H new ATOM 0 HZ3 LYS A 5 9.002 7.003 -2.462 1.00 75.04 H new ATOM 89 N PRO A 6 10.183 13.672 0.295 1.00 33.44 N ATOM 90 CA PRO A 6 10.095 15.119 0.513 1.00 54.43 C ATOM 91 C PRO A 6 9.532 15.855 -0.698 1.00 12.14 C ATOM 92 O PRO A 6 8.970 15.239 -1.603 1.00 53.24 O ATOM 93 CB PRO A 6 11.549 15.529 0.759 1.00 71.44 C ATOM 94 CG PRO A 6 12.359 14.487 0.066 1.00 53.51 C ATOM 95 CD PRO A 6 11.575 13.209 0.180 1.00 5.53 C ATOM 0 HA PRO A 6 9.422 15.367 1.334 1.00 54.43 H new ATOM 0 HB2 PRO A 6 11.754 16.521 0.358 1.00 71.44 H new ATOM 0 HB3 PRO A 6 11.776 15.563 1.825 1.00 71.44 H new ATOM 0 HG2 PRO A 6 12.524 14.752 -0.978 1.00 53.51 H new ATOM 0 HG3 PRO A 6 13.341 14.385 0.528 1.00 53.51 H new ATOM 0 HD2 PRO A 6 11.716 12.572 -0.693 1.00 5.53 H new ATOM 0 HD3 PRO A 6 11.878 12.628 1.051 1.00 5.53 H new ATOM 103 N GLN A 7 9.687 17.175 -0.707 1.00 71.12 N ATOM 104 CA GLN A 7 9.193 17.994 -1.808 1.00 42.42 C ATOM 105 C GLN A 7 10.346 18.663 -2.549 1.00 10.11 C ATOM 106 O GLN A 7 10.165 19.207 -3.638 1.00 11.45 O ATOM 107 CB GLN A 7 8.222 19.055 -1.286 1.00 74.23 C ATOM 108 CG GLN A 7 7.652 19.947 -2.378 1.00 11.23 C ATOM 109 CD GLN A 7 6.271 20.472 -2.040 1.00 73.23 C ATOM 110 OE1 GLN A 7 6.022 21.677 -2.089 1.00 63.11 O ATOM 111 NE2 GLN A 7 5.361 19.567 -1.696 1.00 24.02 N ATOM 0 H GLN A 7 10.150 17.700 0.035 1.00 71.12 H new ATOM 0 HA GLN A 7 8.667 17.342 -2.505 1.00 42.42 H new ATOM 0 HB2 GLN A 7 7.401 18.560 -0.767 1.00 74.23 H new ATOM 0 HB3 GLN A 7 8.735 19.676 -0.552 1.00 74.23 H new ATOM 0 HG2 GLN A 7 8.326 20.788 -2.544 1.00 11.23 H new ATOM 0 HG3 GLN A 7 7.605 19.387 -3.312 1.00 11.23 H new ATOM 0 HE21 GLN A 7 5.610 18.578 -1.668 1.00 24.02 H new ATOM 0 HE22 GLN A 7 4.413 19.861 -1.460 1.00 24.02 H new ATOM 120 N VAL A 8 11.532 18.620 -1.949 1.00 51.43 N ATOM 121 CA VAL A 8 12.716 19.221 -2.553 1.00 14.34 C ATOM 122 C VAL A 8 13.984 18.500 -2.111 1.00 53.54 C ATOM 123 O VAL A 8 13.924 17.483 -1.422 1.00 2.21 O ATOM 124 CB VAL A 8 12.833 20.713 -2.189 1.00 44.42 C ATOM 125 CG1 VAL A 8 11.604 21.477 -2.658 1.00 63.23 C ATOM 126 CG2 VAL A 8 13.036 20.882 -0.691 1.00 40.02 C ATOM 0 H VAL A 8 11.698 18.176 -1.046 1.00 51.43 H new ATOM 0 HA VAL A 8 12.605 19.125 -3.633 1.00 14.34 H new ATOM 0 HB VAL A 8 13.703 21.125 -2.700 1.00 44.42 H new ATOM 0 HG11 VAL A 8 11.706 22.529 -2.391 1.00 63.23 H new ATOM 0 HG12 VAL A 8 11.509 21.384 -3.740 1.00 63.23 H new ATOM 0 HG13 VAL A 8 10.715 21.066 -2.179 1.00 63.23 H new ATOM 0 HG21 VAL A 8 13.117 21.942 -0.452 1.00 40.02 H new ATOM 0 HG22 VAL A 8 12.187 20.453 -0.158 1.00 40.02 H new ATOM 0 HG23 VAL A 8 13.950 20.371 -0.388 1.00 40.02 H new ATOM 136 N SER A 9 15.132 19.035 -2.515 1.00 62.14 N ATOM 137 CA SER A 9 16.417 18.440 -2.165 1.00 15.13 C ATOM 138 C SER A 9 17.137 19.282 -1.115 1.00 62.42 C ATOM 139 O SER A 9 17.304 20.489 -1.280 1.00 42.31 O ATOM 140 CB SER A 9 17.294 18.298 -3.410 1.00 61.42 C ATOM 141 OG SER A 9 16.518 17.945 -4.543 1.00 5.03 O ATOM 0 H SER A 9 15.199 19.879 -3.084 1.00 62.14 H new ATOM 0 HA SER A 9 16.230 17.451 -1.747 1.00 15.13 H new ATOM 0 HB2 SER A 9 17.815 19.236 -3.600 1.00 61.42 H new ATOM 0 HB3 SER A 9 18.057 17.539 -3.237 1.00 61.42 H new ATOM 0 HG SER A 9 17.101 17.862 -5.326 1.00 5.03 H new ATOM 147 N GLY A 10 17.561 18.633 -0.035 1.00 2.21 N ATOM 148 CA GLY A 10 18.258 19.336 1.026 1.00 53.31 C ATOM 149 C GLY A 10 18.910 18.393 2.017 1.00 63.25 C ATOM 150 O GLY A 10 19.674 17.507 1.630 1.00 34.33 O ATOM 0 H GLY A 10 17.434 17.633 0.124 1.00 2.21 H new ATOM 0 HA2 GLY A 10 19.019 19.983 0.590 1.00 53.31 H new ATOM 0 HA3 GLY A 10 17.555 19.982 1.552 1.00 53.31 H new ATOM 154 N VAL A 11 18.612 18.582 3.297 1.00 11.35 N ATOM 155 CA VAL A 11 19.175 17.741 4.347 1.00 71.12 C ATOM 156 C VAL A 11 18.171 17.519 5.473 1.00 51.51 C ATOM 157 O VAL A 11 17.457 18.441 5.870 1.00 64.41 O ATOM 158 CB VAL A 11 20.459 18.358 4.933 1.00 44.12 C ATOM 159 CG1 VAL A 11 21.152 17.371 5.859 1.00 22.12 C ATOM 160 CG2 VAL A 11 21.394 18.803 3.817 1.00 31.32 C ATOM 0 H VAL A 11 17.983 19.311 3.633 1.00 11.35 H new ATOM 0 HA VAL A 11 19.418 16.783 3.887 1.00 71.12 H new ATOM 0 HB VAL A 11 20.185 19.236 5.518 1.00 44.12 H new ATOM 0 HG11 VAL A 11 22.057 17.825 6.263 1.00 22.12 H new ATOM 0 HG12 VAL A 11 20.482 17.107 6.677 1.00 22.12 H new ATOM 0 HG13 VAL A 11 21.415 16.472 5.301 1.00 22.12 H new ATOM 0 HG21 VAL A 11 22.296 19.236 4.249 1.00 31.32 H new ATOM 0 HG22 VAL A 11 21.663 17.943 3.203 1.00 31.32 H new ATOM 0 HG23 VAL A 11 20.894 19.548 3.199 1.00 31.32 H new ATOM 170 N ILE A 12 18.122 16.293 5.982 1.00 43.22 N ATOM 171 CA ILE A 12 17.208 15.951 7.063 1.00 14.12 C ATOM 172 C ILE A 12 17.408 16.870 8.264 1.00 73.14 C ATOM 173 O ILE A 12 18.525 17.299 8.552 1.00 41.04 O ATOM 174 CB ILE A 12 17.388 14.490 7.513 1.00 10.31 C ATOM 175 CG1 ILE A 12 17.180 13.540 6.332 1.00 15.25 C ATOM 176 CG2 ILE A 12 16.423 14.160 8.642 1.00 15.13 C ATOM 177 CD1 ILE A 12 15.787 13.603 5.745 1.00 24.54 C ATOM 0 H ILE A 12 18.705 15.520 5.662 1.00 43.22 H new ATOM 0 HA ILE A 12 16.198 16.080 6.674 1.00 14.12 H new ATOM 0 HB ILE A 12 18.405 14.362 7.883 1.00 10.31 H new ATOM 0 HG12 ILE A 12 17.905 13.777 5.553 1.00 15.25 H new ATOM 0 HG13 ILE A 12 17.383 12.519 6.657 1.00 15.25 H new ATOM 0 HG21 ILE A 12 16.563 13.123 8.949 1.00 15.13 H new ATOM 0 HG22 ILE A 12 16.615 14.818 9.489 1.00 15.13 H new ATOM 0 HG23 ILE A 12 15.398 14.301 8.298 1.00 15.13 H new ATOM 0 HD11 ILE A 12 15.711 12.904 4.912 1.00 24.54 H new ATOM 0 HD12 ILE A 12 15.057 13.337 6.510 1.00 24.54 H new ATOM 0 HD13 ILE A 12 15.587 14.614 5.389 1.00 24.54 H new ATOM 189 N VAL A 13 16.317 17.167 8.964 1.00 50.22 N ATOM 190 CA VAL A 13 16.372 18.032 10.135 1.00 23.35 C ATOM 191 C VAL A 13 15.845 17.315 11.374 1.00 63.35 C ATOM 192 O VAL A 13 16.339 17.523 12.481 1.00 41.30 O ATOM 193 CB VAL A 13 15.561 19.323 9.920 1.00 74.05 C ATOM 194 CG1 VAL A 13 15.956 20.380 10.940 1.00 41.34 C ATOM 195 CG2 VAL A 13 15.751 19.840 8.502 1.00 0.34 C ATOM 0 H VAL A 13 15.384 16.821 8.739 1.00 50.22 H new ATOM 0 HA VAL A 13 17.420 18.291 10.286 1.00 23.35 H new ATOM 0 HB VAL A 13 14.504 19.095 10.061 1.00 74.05 H new ATOM 0 HG11 VAL A 13 15.372 21.285 10.771 1.00 41.34 H new ATOM 0 HG12 VAL A 13 15.763 20.006 11.945 1.00 41.34 H new ATOM 0 HG13 VAL A 13 17.017 20.608 10.835 1.00 41.34 H new ATOM 0 HG21 VAL A 13 15.171 20.753 8.367 1.00 0.34 H new ATOM 0 HG22 VAL A 13 16.806 20.052 8.330 1.00 0.34 H new ATOM 0 HG23 VAL A 13 15.412 19.086 7.791 1.00 0.34 H new ATOM 205 N ASN A 14 14.840 16.468 11.178 1.00 52.53 N ATOM 206 CA ASN A 14 14.245 15.719 12.278 1.00 4.12 C ATOM 207 C ASN A 14 13.261 14.676 11.758 1.00 15.33 C ATOM 208 O ASN A 14 12.979 14.615 10.561 1.00 10.42 O ATOM 209 CB ASN A 14 13.534 16.669 13.244 1.00 3.53 C ATOM 210 CG ASN A 14 13.480 16.123 14.658 1.00 41.34 C ATOM 211 OD1 ASN A 14 14.408 15.454 15.112 1.00 21.14 O ATOM 212 ND2 ASN A 14 12.389 16.406 15.359 1.00 23.15 N ATOM 0 H ASN A 14 14.420 16.283 10.267 1.00 52.53 H new ATOM 0 HA ASN A 14 15.046 15.204 12.808 1.00 4.12 H new ATOM 0 HB2 ASN A 14 14.048 17.630 13.248 1.00 3.53 H new ATOM 0 HB3 ASN A 14 12.520 16.851 12.889 1.00 3.53 H new ATOM 0 HD21 ASN A 14 12.295 16.065 16.316 1.00 23.15 H new ATOM 0 HD22 ASN A 14 11.645 16.964 14.941 1.00 23.15 H new ATOM 219 N LYS A 15 12.741 13.857 12.665 1.00 13.11 N ATOM 220 CA LYS A 15 11.787 12.817 12.300 1.00 32.13 C ATOM 221 C LYS A 15 10.736 12.634 13.391 1.00 4.50 C ATOM 222 O LYS A 15 11.027 12.104 14.464 1.00 33.30 O ATOM 223 CB LYS A 15 12.514 11.493 12.051 1.00 13.21 C ATOM 224 CG LYS A 15 13.413 11.068 13.199 1.00 33.01 C ATOM 225 CD LYS A 15 14.792 10.665 12.707 1.00 41.54 C ATOM 226 CE LYS A 15 14.794 9.252 12.143 1.00 54.21 C ATOM 227 NZ LYS A 15 16.176 8.729 11.960 1.00 33.21 N ATOM 0 H LYS A 15 12.964 13.893 13.660 1.00 13.11 H new ATOM 0 HA LYS A 15 11.284 13.127 11.384 1.00 32.13 H new ATOM 0 HB2 LYS A 15 11.776 10.711 11.870 1.00 13.21 H new ATOM 0 HB3 LYS A 15 13.113 11.582 11.145 1.00 13.21 H new ATOM 0 HG2 LYS A 15 13.505 11.887 13.913 1.00 33.01 H new ATOM 0 HG3 LYS A 15 12.957 10.233 13.730 1.00 33.01 H new ATOM 0 HD2 LYS A 15 15.124 11.364 11.940 1.00 41.54 H new ATOM 0 HD3 LYS A 15 15.506 10.731 13.528 1.00 41.54 H new ATOM 0 HE2 LYS A 15 14.242 8.593 12.813 1.00 54.21 H new ATOM 0 HE3 LYS A 15 14.273 9.242 11.186 1.00 54.21 H new ATOM 0 HZ1 LYS A 15 16.140 7.823 11.451 1.00 33.21 H new ATOM 0 HZ2 LYS A 15 16.736 9.412 11.411 1.00 33.21 H new ATOM 0 HZ3 LYS A 15 16.619 8.586 12.890 1.00 33.21 H new ATOM 241 N LEU A 16 9.515 13.075 13.110 1.00 22.00 N ATOM 242 CA LEU A 16 8.420 12.959 14.067 1.00 2.12 C ATOM 243 C LEU A 16 7.594 11.705 13.801 1.00 41.03 C ATOM 244 O LEU A 16 6.377 11.774 13.632 1.00 22.03 O ATOM 245 CB LEU A 16 7.524 14.197 14.001 1.00 44.34 C ATOM 246 CG LEU A 16 8.217 15.507 13.620 1.00 23.40 C ATOM 247 CD1 LEU A 16 7.223 16.658 13.632 1.00 44.23 C ATOM 248 CD2 LEU A 16 9.377 15.790 14.564 1.00 11.41 C ATOM 0 H LEU A 16 9.258 13.516 12.227 1.00 22.00 H new ATOM 0 HA LEU A 16 8.851 12.883 15.065 1.00 2.12 H new ATOM 0 HB2 LEU A 16 6.728 14.007 13.281 1.00 44.34 H new ATOM 0 HB3 LEU A 16 7.049 14.330 14.973 1.00 44.34 H new ATOM 0 HG LEU A 16 8.614 15.407 12.610 1.00 23.40 H new ATOM 0 HD11 LEU A 16 7.733 17.582 13.359 1.00 44.23 H new ATOM 0 HD12 LEU A 16 6.426 16.458 12.916 1.00 44.23 H new ATOM 0 HD13 LEU A 16 6.797 16.760 14.630 1.00 44.23 H new ATOM 0 HD21 LEU A 16 9.859 16.725 14.279 1.00 11.41 H new ATOM 0 HD22 LEU A 16 9.004 15.871 15.585 1.00 11.41 H new ATOM 0 HD23 LEU A 16 10.100 14.977 14.505 1.00 11.41 H new ATOM 260 N PHE A 17 8.264 10.558 13.766 1.00 64.32 N ATOM 261 CA PHE A 17 7.592 9.286 13.521 1.00 45.51 C ATOM 262 C PHE A 17 8.427 8.121 14.043 1.00 30.01 C ATOM 263 O PHE A 17 9.622 8.265 14.306 1.00 33.22 O ATOM 264 CB PHE A 17 7.325 9.107 12.025 1.00 13.14 C ATOM 265 CG PHE A 17 8.376 8.297 11.321 1.00 35.04 C ATOM 266 CD1 PHE A 17 9.572 8.877 10.933 1.00 2.43 C ATOM 267 CD2 PHE A 17 8.167 6.955 11.047 1.00 53.02 C ATOM 268 CE1 PHE A 17 10.541 8.135 10.285 1.00 42.23 C ATOM 269 CE2 PHE A 17 9.133 6.207 10.400 1.00 12.04 C ATOM 270 CZ PHE A 17 10.321 6.798 10.018 1.00 60.12 C ATOM 0 H PHE A 17 9.272 10.483 13.904 1.00 64.32 H new ATOM 0 HA PHE A 17 6.641 9.296 14.054 1.00 45.51 H new ATOM 0 HB2 PHE A 17 6.357 8.625 11.892 1.00 13.14 H new ATOM 0 HB3 PHE A 17 7.259 10.089 11.556 1.00 13.14 H new ATOM 0 HD1 PHE A 17 9.750 9.922 11.139 1.00 2.43 H new ATOM 0 HD2 PHE A 17 7.239 6.488 11.342 1.00 53.02 H new ATOM 0 HE1 PHE A 17 11.469 8.600 9.988 1.00 42.23 H new ATOM 0 HE2 PHE A 17 8.959 5.161 10.194 1.00 12.04 H new ATOM 0 HZ PHE A 17 11.077 6.216 9.511 1.00 60.12 H new ATOM 280 N LYS A 18 7.789 6.965 14.191 1.00 23.34 N ATOM 281 CA LYS A 18 8.470 5.772 14.682 1.00 21.11 C ATOM 282 C LYS A 18 8.237 4.589 13.748 1.00 52.51 C ATOM 283 O LYS A 18 7.384 4.645 12.862 1.00 2.20 O ATOM 284 CB LYS A 18 7.985 5.426 16.092 1.00 72.10 C ATOM 285 CG LYS A 18 8.288 6.501 17.121 1.00 73.15 C ATOM 286 CD LYS A 18 7.217 7.578 17.133 1.00 2.23 C ATOM 287 CE LYS A 18 7.174 8.305 18.468 1.00 34.24 C ATOM 288 NZ LYS A 18 6.318 7.593 19.459 1.00 41.54 N ATOM 0 H LYS A 18 6.801 6.829 13.978 1.00 23.34 H new ATOM 0 HA LYS A 18 9.539 5.982 14.714 1.00 21.11 H new ATOM 0 HB2 LYS A 18 6.909 5.254 16.065 1.00 72.10 H new ATOM 0 HB3 LYS A 18 8.449 4.492 16.408 1.00 72.10 H new ATOM 0 HG2 LYS A 18 8.362 6.049 18.110 1.00 73.15 H new ATOM 0 HG3 LYS A 18 9.256 6.952 16.903 1.00 73.15 H new ATOM 0 HD2 LYS A 18 7.410 8.294 16.334 1.00 2.23 H new ATOM 0 HD3 LYS A 18 6.245 7.128 16.931 1.00 2.23 H new ATOM 0 HE2 LYS A 18 8.185 8.400 18.863 1.00 34.24 H new ATOM 0 HE3 LYS A 18 6.794 9.316 18.319 1.00 34.24 H new ATOM 0 HZ1 LYS A 18 6.314 8.119 20.356 1.00 41.54 H new ATOM 0 HZ2 LYS A 18 5.347 7.525 19.093 1.00 41.54 H new ATOM 0 HZ3 LYS A 18 6.695 6.637 19.620 1.00 41.54 H new ATOM 302 N ALA A 19 8.999 3.521 13.952 1.00 21.41 N ATOM 303 CA ALA A 19 8.873 2.323 13.130 1.00 33.20 C ATOM 304 C ALA A 19 7.816 1.379 13.694 1.00 75.12 C ATOM 305 O ALA A 19 7.973 0.839 14.788 1.00 72.54 O ATOM 306 CB ALA A 19 10.213 1.612 13.022 1.00 42.32 C ATOM 0 H ALA A 19 9.711 3.460 14.680 1.00 21.41 H new ATOM 0 HA ALA A 19 8.556 2.629 12.133 1.00 33.20 H new ATOM 0 HB1 ALA A 19 10.103 0.720 12.406 1.00 42.32 H new ATOM 0 HB2 ALA A 19 10.944 2.280 12.566 1.00 42.32 H new ATOM 0 HB3 ALA A 19 10.554 1.326 14.017 1.00 42.32 H new ATOM 312 N GLY A 20 6.737 1.187 12.939 1.00 44.13 N ATOM 313 CA GLY A 20 5.670 0.309 13.381 1.00 70.12 C ATOM 314 C GLY A 20 4.632 1.032 14.215 1.00 22.10 C ATOM 315 O GLY A 20 3.910 0.412 14.995 1.00 72.42 O ATOM 0 H GLY A 20 6.584 1.624 12.030 1.00 44.13 H new ATOM 0 HA2 GLY A 20 5.187 -0.137 12.511 1.00 70.12 H new ATOM 0 HA3 GLY A 20 6.094 -0.509 13.964 1.00 70.12 H new ATOM 319 N ASP A 21 4.557 2.348 14.052 1.00 3.41 N ATOM 320 CA ASP A 21 3.601 3.159 14.797 1.00 32.43 C ATOM 321 C ASP A 21 2.394 3.507 13.931 1.00 22.24 C ATOM 322 O ASP A 21 2.238 2.987 12.826 1.00 31.44 O ATOM 323 CB ASP A 21 4.267 4.438 15.303 1.00 11.34 C ATOM 324 CG ASP A 21 3.767 4.848 16.674 1.00 11.22 C ATOM 325 OD1 ASP A 21 3.796 4.003 17.594 1.00 11.33 O ATOM 326 OD2 ASP A 21 3.347 6.014 16.828 1.00 1.14 O ATOM 0 H ASP A 21 5.147 2.877 13.410 1.00 3.41 H new ATOM 0 HA ASP A 21 3.257 2.577 15.652 1.00 32.43 H new ATOM 0 HB2 ASP A 21 5.346 4.291 15.342 1.00 11.34 H new ATOM 0 HB3 ASP A 21 4.081 5.246 14.595 1.00 11.34 H new ATOM 331 N LYS A 22 1.542 4.391 14.441 1.00 63.32 N ATOM 332 CA LYS A 22 0.349 4.810 13.715 1.00 30.53 C ATOM 333 C LYS A 22 0.568 6.161 13.042 1.00 25.13 C ATOM 334 O LYS A 22 1.202 7.052 13.608 1.00 42.12 O ATOM 335 CB LYS A 22 -0.849 4.890 14.664 1.00 24.50 C ATOM 336 CG LYS A 22 -1.821 3.731 14.515 1.00 63.21 C ATOM 337 CD LYS A 22 -3.254 4.219 14.384 1.00 60.03 C ATOM 338 CE LYS A 22 -4.146 3.163 13.749 1.00 3.21 C ATOM 339 NZ LYS A 22 -5.532 3.209 14.292 1.00 14.31 N ATOM 0 H LYS A 22 1.656 4.831 15.354 1.00 63.32 H new ATOM 0 HA LYS A 22 0.145 4.068 12.943 1.00 30.53 H new ATOM 0 HB2 LYS A 22 -0.487 4.920 15.692 1.00 24.50 H new ATOM 0 HB3 LYS A 22 -1.381 5.825 14.486 1.00 24.50 H new ATOM 0 HG2 LYS A 22 -1.555 3.142 13.637 1.00 63.21 H new ATOM 0 HG3 LYS A 22 -1.738 3.072 15.379 1.00 63.21 H new ATOM 0 HD2 LYS A 22 -3.642 4.481 15.368 1.00 60.03 H new ATOM 0 HD3 LYS A 22 -3.277 5.127 13.781 1.00 60.03 H new ATOM 0 HE2 LYS A 22 -4.174 3.312 12.670 1.00 3.21 H new ATOM 0 HE3 LYS A 22 -3.720 2.175 13.924 1.00 3.21 H new ATOM 0 HZ1 LYS A 22 -6.109 2.474 13.834 1.00 14.31 H new ATOM 0 HZ2 LYS A 22 -5.509 3.042 15.318 1.00 14.31 H new ATOM 0 HZ3 LYS A 22 -5.948 4.143 14.103 1.00 14.31 H new ATOM 353 N VAL A 23 0.038 6.307 11.832 1.00 50.20 N ATOM 354 CA VAL A 23 0.174 7.551 11.083 1.00 42.25 C ATOM 355 C VAL A 23 -1.190 8.115 10.702 1.00 14.02 C ATOM 356 O VAL A 23 -2.180 7.386 10.635 1.00 62.53 O ATOM 357 CB VAL A 23 1.010 7.349 9.805 1.00 34.31 C ATOM 358 CG1 VAL A 23 0.107 7.024 8.624 1.00 54.40 C ATOM 359 CG2 VAL A 23 1.853 8.581 9.519 1.00 3.31 C ATOM 0 H VAL A 23 -0.489 5.580 11.349 1.00 50.20 H new ATOM 0 HA VAL A 23 0.687 8.258 11.735 1.00 42.25 H new ATOM 0 HB VAL A 23 1.683 6.506 9.961 1.00 34.31 H new ATOM 0 HG11 VAL A 23 0.714 6.884 7.729 1.00 54.40 H new ATOM 0 HG12 VAL A 23 -0.449 6.110 8.832 1.00 54.40 H new ATOM 0 HG13 VAL A 23 -0.592 7.845 8.464 1.00 54.40 H new ATOM 0 HG21 VAL A 23 2.437 8.420 8.613 1.00 3.31 H new ATOM 0 HG22 VAL A 23 1.201 9.444 9.382 1.00 3.31 H new ATOM 0 HG23 VAL A 23 2.526 8.764 10.357 1.00 3.31 H new ATOM 369 N LYS A 24 -1.237 9.419 10.452 1.00 5.21 N ATOM 370 CA LYS A 24 -2.478 10.082 10.075 1.00 12.54 C ATOM 371 C LYS A 24 -2.339 10.770 8.721 1.00 22.21 C ATOM 372 O LYS A 24 -1.247 11.185 8.333 1.00 53.42 O ATOM 373 CB LYS A 24 -2.876 11.108 11.141 1.00 74.32 C ATOM 374 CG LYS A 24 -3.972 12.059 10.690 1.00 20.40 C ATOM 375 CD LYS A 24 -5.299 11.338 10.514 1.00 63.11 C ATOM 376 CE LYS A 24 -6.127 11.960 9.400 1.00 2.42 C ATOM 377 NZ LYS A 24 -7.234 11.064 8.966 1.00 63.52 N ATOM 0 H LYS A 24 -0.428 10.038 10.504 1.00 5.21 H new ATOM 0 HA LYS A 24 -3.257 9.323 9.999 1.00 12.54 H new ATOM 0 HB2 LYS A 24 -3.209 10.580 12.035 1.00 74.32 H new ATOM 0 HB3 LYS A 24 -1.997 11.687 11.422 1.00 74.32 H new ATOM 0 HG2 LYS A 24 -4.086 12.858 11.422 1.00 20.40 H new ATOM 0 HG3 LYS A 24 -3.684 12.528 9.749 1.00 20.40 H new ATOM 0 HD2 LYS A 24 -5.116 10.287 10.290 1.00 63.11 H new ATOM 0 HD3 LYS A 24 -5.860 11.372 11.448 1.00 63.11 H new ATOM 0 HE2 LYS A 24 -6.540 12.909 9.741 1.00 2.42 H new ATOM 0 HE3 LYS A 24 -5.483 12.181 8.549 1.00 2.42 H new ATOM 0 HZ1 LYS A 24 -7.589 11.375 8.039 1.00 63.52 H new ATOM 0 HZ2 LYS A 24 -6.882 10.088 8.892 1.00 63.52 H new ATOM 0 HZ3 LYS A 24 -8.005 11.102 9.663 1.00 63.52 H new ATOM 391 N LYS A 25 -3.453 10.888 8.005 1.00 70.41 N ATOM 392 CA LYS A 25 -3.456 11.527 6.695 1.00 3.22 C ATOM 393 C LYS A 25 -3.108 13.008 6.811 1.00 74.04 C ATOM 394 O LYS A 25 -3.989 13.851 6.973 1.00 45.31 O ATOM 395 CB LYS A 25 -4.824 11.365 6.029 1.00 20.12 C ATOM 396 CG LYS A 25 -5.342 9.937 6.043 1.00 4.31 C ATOM 397 CD LYS A 25 -6.857 9.892 5.950 1.00 34.44 C ATOM 398 CE LYS A 25 -7.320 9.047 4.774 1.00 61.12 C ATOM 399 NZ LYS A 25 -7.426 9.847 3.523 1.00 53.14 N ATOM 0 H LYS A 25 -4.365 10.549 8.311 1.00 70.41 H new ATOM 0 HA LYS A 25 -2.699 11.041 6.080 1.00 3.22 H new ATOM 0 HB2 LYS A 25 -5.544 12.009 6.535 1.00 20.12 H new ATOM 0 HB3 LYS A 25 -4.759 11.709 4.997 1.00 20.12 H new ATOM 0 HG2 LYS A 25 -4.909 9.384 5.210 1.00 4.31 H new ATOM 0 HG3 LYS A 25 -5.018 9.441 6.958 1.00 4.31 H new ATOM 0 HD2 LYS A 25 -7.267 9.486 6.875 1.00 34.44 H new ATOM 0 HD3 LYS A 25 -7.246 10.905 5.847 1.00 34.44 H new ATOM 0 HE2 LYS A 25 -6.621 8.224 4.621 1.00 61.12 H new ATOM 0 HE3 LYS A 25 -8.289 8.604 5.005 1.00 61.12 H new ATOM 0 HZ1 LYS A 25 -7.744 9.234 2.745 1.00 53.14 H new ATOM 0 HZ2 LYS A 25 -8.112 10.617 3.660 1.00 53.14 H new ATOM 0 HZ3 LYS A 25 -6.496 10.249 3.288 1.00 53.14 H new ATOM 413 N GLY A 26 -1.818 13.316 6.725 1.00 44.22 N ATOM 414 CA GLY A 26 -1.377 14.695 6.821 1.00 4.51 C ATOM 415 C GLY A 26 -0.543 14.953 8.061 1.00 34.12 C ATOM 416 O GLY A 26 -0.344 16.102 8.454 1.00 52.22 O ATOM 0 H GLY A 26 -1.070 12.635 6.591 1.00 44.22 H new ATOM 0 HA2 GLY A 26 -0.794 14.949 5.936 1.00 4.51 H new ATOM 0 HA3 GLY A 26 -2.247 15.352 6.829 1.00 4.51 H new ATOM 420 N GLN A 27 -0.057 13.881 8.678 1.00 52.11 N ATOM 421 CA GLN A 27 0.758 13.997 9.882 1.00 51.23 C ATOM 422 C GLN A 27 2.240 14.076 9.530 1.00 34.24 C ATOM 423 O GLN A 27 2.715 13.378 8.634 1.00 61.31 O ATOM 424 CB GLN A 27 0.505 12.809 10.811 1.00 32.32 C ATOM 425 CG GLN A 27 1.563 11.722 10.713 1.00 55.24 C ATOM 426 CD GLN A 27 1.590 10.821 11.930 1.00 13.02 C ATOM 427 OE1 GLN A 27 2.652 10.369 12.359 1.00 33.10 O ATOM 428 NE2 GLN A 27 0.417 10.554 12.496 1.00 44.14 N ATOM 0 H GLN A 27 -0.213 12.923 8.365 1.00 52.11 H new ATOM 0 HA GLN A 27 0.475 14.916 10.395 1.00 51.23 H new ATOM 0 HB2 GLN A 27 0.458 13.167 11.840 1.00 32.32 H new ATOM 0 HB3 GLN A 27 -0.469 12.378 10.579 1.00 32.32 H new ATOM 0 HG2 GLN A 27 1.378 11.119 9.824 1.00 55.24 H new ATOM 0 HG3 GLN A 27 2.542 12.184 10.586 1.00 55.24 H new ATOM 0 HE21 GLN A 27 -0.439 10.950 12.107 1.00 44.14 H new ATOM 0 HE22 GLN A 27 0.373 9.953 13.319 1.00 44.14 H new ATOM 437 N THR A 28 2.967 14.932 10.243 1.00 70.34 N ATOM 438 CA THR A 28 4.395 15.102 10.005 1.00 13.51 C ATOM 439 C THR A 28 5.173 13.855 10.407 1.00 12.30 C ATOM 440 O THR A 28 4.848 13.201 11.399 1.00 33.42 O ATOM 441 CB THR A 28 4.952 16.313 10.779 1.00 35.45 C ATOM 442 OG1 THR A 28 4.079 17.437 10.624 1.00 51.50 O ATOM 443 CG2 THR A 28 6.345 16.674 10.288 1.00 5.20 C ATOM 0 H THR A 28 2.590 15.517 10.989 1.00 70.34 H new ATOM 0 HA THR A 28 4.519 15.274 8.936 1.00 13.51 H new ATOM 0 HB THR A 28 5.014 16.045 11.834 1.00 35.45 H new ATOM 0 HG1 THR A 28 4.439 18.202 11.120 1.00 51.50 H new ATOM 0 HG21 THR A 28 6.718 17.531 10.849 1.00 5.20 H new ATOM 0 HG22 THR A 28 7.014 15.826 10.435 1.00 5.20 H new ATOM 0 HG23 THR A 28 6.304 16.924 9.228 1.00 5.20 H new ATOM 451 N LEU A 29 6.203 13.531 9.633 1.00 73.12 N ATOM 452 CA LEU A 29 7.028 12.361 9.909 1.00 64.42 C ATOM 453 C LEU A 29 8.508 12.682 9.727 1.00 53.21 C ATOM 454 O LEU A 29 9.348 12.263 10.523 1.00 62.44 O ATOM 455 CB LEU A 29 6.630 11.202 8.992 1.00 22.02 C ATOM 456 CG LEU A 29 5.134 10.901 8.903 1.00 33.12 C ATOM 457 CD1 LEU A 29 4.813 10.171 7.608 1.00 10.35 C ATOM 458 CD2 LEU A 29 4.682 10.084 10.104 1.00 32.01 C ATOM 0 H LEU A 29 6.486 14.062 8.810 1.00 73.12 H new ATOM 0 HA LEU A 29 6.863 12.069 10.946 1.00 64.42 H new ATOM 0 HB2 LEU A 29 6.998 11.416 7.988 1.00 22.02 H new ATOM 0 HB3 LEU A 29 7.142 10.302 9.334 1.00 22.02 H new ATOM 0 HG LEU A 29 4.592 11.846 8.907 1.00 33.12 H new ATOM 0 HD11 LEU A 29 3.744 9.965 7.562 1.00 10.35 H new ATOM 0 HD12 LEU A 29 5.100 10.792 6.759 1.00 10.35 H new ATOM 0 HD13 LEU A 29 5.365 9.232 7.573 1.00 10.35 H new ATOM 0 HD21 LEU A 29 3.614 9.879 10.024 1.00 32.01 H new ATOM 0 HD22 LEU A 29 5.231 9.143 10.131 1.00 32.01 H new ATOM 0 HD23 LEU A 29 4.876 10.644 11.019 1.00 32.01 H new ATOM 470 N PHE A 30 8.819 13.432 8.675 1.00 51.52 N ATOM 471 CA PHE A 30 10.197 13.813 8.388 1.00 61.04 C ATOM 472 C PHE A 30 10.318 15.322 8.203 1.00 15.30 C ATOM 473 O PHE A 30 9.314 16.033 8.148 1.00 3.52 O ATOM 474 CB PHE A 30 10.697 13.093 7.134 1.00 71.05 C ATOM 475 CG PHE A 30 11.443 11.823 7.429 1.00 60.11 C ATOM 476 CD1 PHE A 30 12.746 11.861 7.898 1.00 11.35 C ATOM 477 CD2 PHE A 30 10.841 10.590 7.236 1.00 33.14 C ATOM 478 CE1 PHE A 30 13.434 10.694 8.171 1.00 3.51 C ATOM 479 CE2 PHE A 30 11.524 9.419 7.508 1.00 35.13 C ATOM 480 CZ PHE A 30 12.822 9.472 7.975 1.00 63.32 C ATOM 0 H PHE A 30 8.135 13.788 8.007 1.00 51.52 H new ATOM 0 HA PHE A 30 10.813 13.519 9.238 1.00 61.04 H new ATOM 0 HB2 PHE A 30 9.846 12.864 6.492 1.00 71.05 H new ATOM 0 HB3 PHE A 30 11.347 13.765 6.574 1.00 71.05 H new ATOM 0 HD1 PHE A 30 13.230 12.814 8.052 1.00 11.35 H new ATOM 0 HD2 PHE A 30 9.826 10.543 6.869 1.00 33.14 H new ATOM 0 HE1 PHE A 30 14.449 10.738 8.537 1.00 3.51 H new ATOM 0 HE2 PHE A 30 11.043 8.464 7.355 1.00 35.13 H new ATOM 0 HZ PHE A 30 13.358 8.559 8.187 1.00 63.32 H new ATOM 490 N ILE A 31 11.552 15.804 8.109 1.00 41.25 N ATOM 491 CA ILE A 31 11.805 17.229 7.930 1.00 12.11 C ATOM 492 C ILE A 31 13.112 17.466 7.181 1.00 1.20 C ATOM 493 O ILE A 31 14.133 16.848 7.483 1.00 30.31 O ATOM 494 CB ILE A 31 11.860 17.965 9.281 1.00 35.03 C ATOM 495 CG1 ILE A 31 10.553 17.761 10.051 1.00 32.45 C ATOM 496 CG2 ILE A 31 12.127 19.448 9.067 1.00 70.15 C ATOM 497 CD1 ILE A 31 10.492 18.529 11.353 1.00 24.33 C ATOM 0 H ILE A 31 12.393 15.229 8.154 1.00 41.25 H new ATOM 0 HA ILE A 31 10.976 17.625 7.343 1.00 12.11 H new ATOM 0 HB ILE A 31 12.677 17.550 9.870 1.00 35.03 H new ATOM 0 HG12 ILE A 31 9.718 18.065 9.420 1.00 32.45 H new ATOM 0 HG13 ILE A 31 10.425 16.699 10.259 1.00 32.45 H new ATOM 0 HG21 ILE A 31 12.163 19.954 10.032 1.00 70.15 H new ATOM 0 HG22 ILE A 31 13.080 19.576 8.554 1.00 70.15 H new ATOM 0 HG23 ILE A 31 11.329 19.878 8.461 1.00 70.15 H new ATOM 0 HD11 ILE A 31 9.538 18.337 11.844 1.00 24.33 H new ATOM 0 HD12 ILE A 31 11.306 18.208 12.003 1.00 24.33 H new ATOM 0 HD13 ILE A 31 10.588 19.596 11.151 1.00 24.33 H new ATOM 509 N ILE A 32 13.073 18.367 6.205 1.00 22.54 N ATOM 510 CA ILE A 32 14.256 18.688 5.416 1.00 72.12 C ATOM 511 C ILE A 32 14.332 20.182 5.122 1.00 15.34 C ATOM 512 O ILE A 32 13.331 20.807 4.767 1.00 64.13 O ATOM 513 CB ILE A 32 14.272 17.914 4.085 1.00 74.41 C ATOM 514 CG1 ILE A 32 14.585 16.436 4.332 1.00 11.22 C ATOM 515 CG2 ILE A 32 15.286 18.523 3.129 1.00 62.30 C ATOM 516 CD1 ILE A 32 13.867 15.499 3.387 1.00 2.42 C ATOM 0 H ILE A 32 12.236 18.887 5.942 1.00 22.54 H new ATOM 0 HA ILE A 32 15.121 18.392 6.010 1.00 72.12 H new ATOM 0 HB ILE A 32 13.284 17.986 3.629 1.00 74.41 H new ATOM 0 HG12 ILE A 32 15.660 16.280 4.238 1.00 11.22 H new ATOM 0 HG13 ILE A 32 14.315 16.182 5.357 1.00 11.22 H new ATOM 0 HG21 ILE A 32 15.285 17.964 2.193 1.00 62.30 H new ATOM 0 HG22 ILE A 32 15.022 19.562 2.932 1.00 62.30 H new ATOM 0 HG23 ILE A 32 16.279 18.480 3.576 1.00 62.30 H new ATOM 0 HD11 ILE A 32 14.137 14.469 3.621 1.00 2.42 H new ATOM 0 HD12 ILE A 32 12.790 15.626 3.497 1.00 2.42 H new ATOM 0 HD13 ILE A 32 14.156 15.725 2.361 1.00 2.42 H new ATOM 528 N GLU A 33 15.525 20.750 5.271 1.00 34.33 N ATOM 529 CA GLU A 33 15.730 22.172 5.020 1.00 34.22 C ATOM 530 C GLU A 33 16.602 22.386 3.786 1.00 73.40 C ATOM 531 O GLU A 33 17.491 21.586 3.496 1.00 1.11 O ATOM 532 CB GLU A 33 16.376 22.838 6.236 1.00 31.14 C ATOM 533 CG GLU A 33 16.930 24.223 5.949 1.00 41.12 C ATOM 534 CD GLU A 33 17.551 24.869 7.173 1.00 50.24 C ATOM 535 OE1 GLU A 33 17.432 24.290 8.272 1.00 10.43 O ATOM 536 OE2 GLU A 33 18.154 25.953 7.030 1.00 61.32 O ATOM 0 H GLU A 33 16.363 20.248 5.564 1.00 34.33 H new ATOM 0 HA GLU A 33 14.756 22.628 4.839 1.00 34.22 H new ATOM 0 HB2 GLU A 33 15.638 22.910 7.035 1.00 31.14 H new ATOM 0 HB3 GLU A 33 17.182 22.202 6.602 1.00 31.14 H new ATOM 0 HG2 GLU A 33 17.679 24.154 5.160 1.00 41.12 H new ATOM 0 HG3 GLU A 33 16.129 24.860 5.574 1.00 41.12 H new ATOM 543 N GLN A 34 16.340 23.471 3.064 1.00 34.05 N ATOM 544 CA GLN A 34 17.099 23.790 1.862 1.00 62.34 C ATOM 545 C GLN A 34 17.716 25.181 1.961 1.00 40.33 C ATOM 546 O GLN A 34 17.497 25.901 2.935 1.00 73.20 O ATOM 547 CB GLN A 34 16.199 23.705 0.627 1.00 4.14 C ATOM 548 CG GLN A 34 14.724 23.901 0.936 1.00 73.03 C ATOM 549 CD GLN A 34 14.095 22.682 1.584 1.00 51.45 C ATOM 550 OE1 GLN A 34 14.699 21.611 1.632 1.00 42.03 O ATOM 551 NE2 GLN A 34 12.877 22.841 2.086 1.00 14.25 N ATOM 0 H GLN A 34 15.608 24.144 3.291 1.00 34.05 H new ATOM 0 HA GLN A 34 17.904 23.061 1.767 1.00 62.34 H new ATOM 0 HB2 GLN A 34 16.514 24.459 -0.095 1.00 4.14 H new ATOM 0 HB3 GLN A 34 16.337 22.733 0.153 1.00 4.14 H new ATOM 0 HG2 GLN A 34 14.606 24.760 1.597 1.00 73.03 H new ATOM 0 HG3 GLN A 34 14.191 24.133 0.014 1.00 73.03 H new ATOM 0 HE21 GLN A 34 12.414 23.748 2.024 1.00 14.25 H new ATOM 0 HE22 GLN A 34 12.404 22.057 2.534 1.00 14.25 H new ATOM 560 N ASP A 35 18.490 25.553 0.946 1.00 31.42 N ATOM 561 CA ASP A 35 19.139 26.858 0.919 1.00 72.01 C ATOM 562 C ASP A 35 18.248 27.893 0.239 1.00 42.51 C ATOM 563 O ASP A 35 18.482 29.097 0.353 1.00 33.31 O ATOM 564 CB ASP A 35 20.482 26.768 0.194 1.00 43.44 C ATOM 565 CG ASP A 35 21.661 26.880 1.141 1.00 14.30 C ATOM 566 OD1 ASP A 35 21.721 26.093 2.109 1.00 54.30 O ATOM 567 OD2 ASP A 35 22.523 27.756 0.916 1.00 52.01 O ATOM 0 H ASP A 35 18.683 24.969 0.132 1.00 31.42 H new ATOM 0 HA ASP A 35 19.311 27.173 1.948 1.00 72.01 H new ATOM 0 HB2 ASP A 35 20.539 25.821 -0.342 1.00 43.44 H new ATOM 0 HB3 ASP A 35 20.543 27.560 -0.552 1.00 43.44 H new ATOM 572 N GLN A 36 17.229 27.417 -0.468 1.00 71.34 N ATOM 573 CA GLN A 36 16.305 28.302 -1.168 1.00 63.04 C ATOM 574 C GLN A 36 15.785 29.391 -0.237 1.00 30.14 C ATOM 575 O GLN A 36 15.516 30.513 -0.667 1.00 72.43 O ATOM 576 CB GLN A 36 15.135 27.501 -1.741 1.00 33.12 C ATOM 577 CG GLN A 36 15.035 27.569 -3.257 1.00 23.35 C ATOM 578 CD GLN A 36 14.286 26.389 -3.845 1.00 44.21 C ATOM 579 OE1 GLN A 36 13.351 26.560 -4.628 1.00 3.32 O ATOM 580 NE2 GLN A 36 14.696 25.182 -3.472 1.00 2.11 N ATOM 0 H GLN A 36 17.022 26.424 -0.572 1.00 71.34 H new ATOM 0 HA GLN A 36 16.845 28.778 -1.987 1.00 63.04 H new ATOM 0 HB2 GLN A 36 15.236 26.459 -1.438 1.00 33.12 H new ATOM 0 HB3 GLN A 36 14.206 27.870 -1.307 1.00 33.12 H new ATOM 0 HG2 GLN A 36 14.532 28.493 -3.543 1.00 23.35 H new ATOM 0 HG3 GLN A 36 16.038 27.607 -3.682 1.00 23.35 H new ATOM 0 HE21 GLN A 36 15.475 25.087 -2.821 1.00 2.11 H new ATOM 0 HE22 GLN A 36 14.232 24.350 -3.837 1.00 2.11 H new ATOM 589 N ALA A 37 15.645 29.053 1.041 1.00 54.43 N ATOM 590 CA ALA A 37 15.158 30.004 2.033 1.00 21.32 C ATOM 591 C ALA A 37 16.309 30.584 2.849 1.00 54.52 C ATOM 592 O ALA A 37 16.175 30.817 4.049 1.00 24.13 O ATOM 593 CB ALA A 37 14.143 29.337 2.950 1.00 64.40 C ATOM 0 H ALA A 37 15.862 28.128 1.413 1.00 54.43 H new ATOM 0 HA ALA A 37 14.671 30.824 1.505 1.00 21.32 H new ATOM 0 HB1 ALA A 37 13.788 30.059 3.686 1.00 64.40 H new ATOM 0 HB2 ALA A 37 13.301 28.977 2.359 1.00 64.40 H new ATOM 0 HB3 ALA A 37 14.612 28.497 3.463 1.00 64.40 H new ATOM 599 N SER A 38 17.438 30.815 2.187 1.00 41.40 N ATOM 600 CA SER A 38 18.614 31.365 2.852 1.00 2.01 C ATOM 601 C SER A 38 18.624 32.888 2.769 1.00 60.41 C ATOM 602 O SER A 38 19.679 33.519 2.840 1.00 14.40 O ATOM 603 CB SER A 38 19.891 30.801 2.225 1.00 21.25 C ATOM 604 OG SER A 38 19.976 31.137 0.851 1.00 4.44 O ATOM 0 H SER A 38 17.564 30.630 1.192 1.00 41.40 H new ATOM 0 HA SER A 38 18.574 31.076 3.902 1.00 2.01 H new ATOM 0 HB2 SER A 38 20.762 31.191 2.752 1.00 21.25 H new ATOM 0 HB3 SER A 38 19.908 29.717 2.339 1.00 21.25 H new ATOM 0 HG SER A 38 19.411 30.529 0.330 1.00 4.44 H new ATOM 610 N LYS A 39 17.440 33.474 2.617 1.00 23.43 N ATOM 611 CA LYS A 39 17.309 34.923 2.525 1.00 22.23 C ATOM 612 C LYS A 39 16.777 35.505 3.831 1.00 61.12 C ATOM 613 O LYS A 39 17.300 36.498 4.337 1.00 12.11 O ATOM 614 CB LYS A 39 16.377 35.299 1.371 1.00 65.14 C ATOM 615 CG LYS A 39 17.099 35.500 0.049 1.00 22.22 C ATOM 616 CD LYS A 39 18.225 34.497 -0.131 1.00 5.11 C ATOM 617 CE LYS A 39 18.979 34.731 -1.431 1.00 30.25 C ATOM 618 NZ LYS A 39 18.093 34.581 -2.619 1.00 22.02 N ATOM 0 H LYS A 39 16.557 32.967 2.555 1.00 23.43 H new ATOM 0 HA LYS A 39 18.298 35.341 2.337 1.00 22.23 H new ATOM 0 HB2 LYS A 39 15.627 34.517 1.251 1.00 65.14 H new ATOM 0 HB3 LYS A 39 15.845 36.215 1.628 1.00 65.14 H new ATOM 0 HG2 LYS A 39 16.389 35.402 -0.772 1.00 22.22 H new ATOM 0 HG3 LYS A 39 17.502 36.512 0.004 1.00 22.22 H new ATOM 0 HD2 LYS A 39 18.916 34.569 0.709 1.00 5.11 H new ATOM 0 HD3 LYS A 39 17.818 33.486 -0.123 1.00 5.11 H new ATOM 0 HE2 LYS A 39 19.412 35.731 -1.425 1.00 30.25 H new ATOM 0 HE3 LYS A 39 19.807 34.025 -1.503 1.00 30.25 H new ATOM 0 HZ1 LYS A 39 18.672 34.545 -3.482 1.00 22.02 H new ATOM 0 HZ2 LYS A 39 17.544 33.702 -2.534 1.00 22.02 H new ATOM 0 HZ3 LYS A 39 17.443 35.391 -2.672 1.00 22.02 H new ATOM 632 N ASP A 40 15.737 34.880 4.372 1.00 40.32 N ATOM 633 CA ASP A 40 15.137 35.335 5.621 1.00 61.52 C ATOM 634 C ASP A 40 15.740 34.599 6.814 1.00 54.13 C ATOM 635 O ASP A 40 15.038 34.264 7.768 1.00 22.23 O ATOM 636 CB ASP A 40 13.622 35.125 5.589 1.00 12.14 C ATOM 637 CG ASP A 40 13.238 33.662 5.686 1.00 11.11 C ATOM 638 OD1 ASP A 40 13.515 32.911 4.728 1.00 41.25 O ATOM 639 OD2 ASP A 40 12.659 33.268 6.720 1.00 52.42 O ATOM 0 H ASP A 40 15.292 34.057 3.965 1.00 40.32 H new ATOM 0 HA ASP A 40 15.347 36.399 5.730 1.00 61.52 H new ATOM 0 HB2 ASP A 40 13.165 35.673 6.413 1.00 12.14 H new ATOM 0 HB3 ASP A 40 13.220 35.543 4.666 1.00 12.14 H new ATOM 644 N PHE A 41 17.043 34.349 6.750 1.00 21.12 N ATOM 645 CA PHE A 41 17.740 33.651 7.825 1.00 51.23 C ATOM 646 C PHE A 41 19.061 34.340 8.154 1.00 11.14 C ATOM 647 O PHE A 41 19.870 34.610 7.268 1.00 63.24 O ATOM 648 CB PHE A 41 17.996 32.194 7.432 1.00 31.23 C ATOM 649 CG PHE A 41 19.424 31.915 7.060 1.00 2.25 C ATOM 650 CD1 PHE A 41 19.892 32.207 5.790 1.00 42.55 C ATOM 651 CD2 PHE A 41 20.298 31.361 7.982 1.00 52.34 C ATOM 652 CE1 PHE A 41 21.206 31.952 5.444 1.00 62.14 C ATOM 653 CE2 PHE A 41 21.614 31.105 7.642 1.00 34.41 C ATOM 654 CZ PHE A 41 22.067 31.399 6.372 1.00 51.43 C ATOM 0 H PHE A 41 17.638 34.619 5.966 1.00 21.12 H new ATOM 0 HA PHE A 41 17.107 33.676 8.712 1.00 51.23 H new ATOM 0 HB2 PHE A 41 17.712 31.547 8.262 1.00 31.23 H new ATOM 0 HB3 PHE A 41 17.353 31.935 6.591 1.00 31.23 H new ATOM 0 HD1 PHE A 41 19.223 32.639 5.061 1.00 42.55 H new ATOM 0 HD2 PHE A 41 19.948 31.127 8.976 1.00 52.34 H new ATOM 0 HE1 PHE A 41 21.559 32.185 4.450 1.00 62.14 H new ATOM 0 HE2 PHE A 41 22.286 30.675 8.370 1.00 34.41 H new ATOM 0 HZ PHE A 41 23.094 31.197 6.104 1.00 51.43 H new ATOM 664 N ASN A 42 19.270 34.623 9.436 1.00 64.15 N ATOM 665 CA ASN A 42 20.492 35.281 9.883 1.00 21.03 C ATOM 666 C ASN A 42 20.428 35.591 11.375 1.00 4.04 C ATOM 667 O ASN A 42 19.533 35.121 12.079 1.00 4.13 O ATOM 668 CB ASN A 42 20.719 36.572 9.092 1.00 25.04 C ATOM 669 CG ASN A 42 19.771 37.679 9.509 1.00 10.32 C ATOM 670 OD1 ASN A 42 20.198 38.735 9.976 1.00 32.24 O ATOM 671 ND2 ASN A 42 18.474 37.442 9.340 1.00 42.42 N ATOM 0 H ASN A 42 18.609 34.407 10.183 1.00 64.15 H new ATOM 0 HA ASN A 42 21.326 34.602 9.706 1.00 21.03 H new ATOM 0 HB2 ASN A 42 21.747 36.905 9.233 1.00 25.04 H new ATOM 0 HB3 ASN A 42 20.592 36.370 8.028 1.00 25.04 H new ATOM 0 HD22 ASN A 42 18.165 36.552 8.949 1.00 42.42 H new ATOM 677 N ARG A 43 21.383 36.384 11.851 1.00 33.24 N ATOM 678 CA ARG A 43 21.435 36.756 13.260 1.00 30.52 C ATOM 679 C ARG A 43 20.817 38.134 13.482 1.00 65.21 C ATOM 680 O ARG A 43 21.506 39.079 13.866 1.00 31.10 O ATOM 681 CB ARG A 43 22.881 36.746 13.759 1.00 41.42 C ATOM 682 CG ARG A 43 23.007 36.913 15.264 1.00 31.00 C ATOM 683 CD ARG A 43 24.188 36.128 15.814 1.00 24.42 C ATOM 684 NE ARG A 43 24.797 36.789 16.965 1.00 1.12 N ATOM 685 CZ ARG A 43 26.027 36.531 17.396 1.00 11.14 C ATOM 686 NH1 ARG A 43 26.775 35.630 16.773 1.00 0.13 N ATOM 687 NH2 ARG A 43 26.510 37.175 18.451 1.00 64.10 N ATOM 0 H ARG A 43 22.131 36.781 11.282 1.00 33.24 H new ATOM 0 HA ARG A 43 20.858 36.024 13.825 1.00 30.52 H new ATOM 0 HB2 ARG A 43 23.351 35.807 13.466 1.00 41.42 H new ATOM 0 HB3 ARG A 43 23.432 37.547 13.266 1.00 41.42 H new ATOM 0 HG2 ARG A 43 23.126 37.969 15.505 1.00 31.00 H new ATOM 0 HG3 ARG A 43 22.089 36.578 15.747 1.00 31.00 H new ATOM 0 HD2 ARG A 43 23.857 35.130 16.102 1.00 24.42 H new ATOM 0 HD3 ARG A 43 24.936 36.002 15.031 1.00 24.42 H new ATOM 0 HE ARG A 43 24.248 37.487 17.466 1.00 1.12 H new ATOM 0 HH11 ARG A 43 26.406 35.134 15.962 1.00 0.13 H new ATOM 0 HH12 ARG A 43 27.719 35.433 17.105 1.00 0.13 H new ATOM 0 HH21 ARG A 43 25.937 37.869 18.932 1.00 64.10 H new ATOM 0 HH22 ARG A 43 27.454 36.976 18.781 1.00 64.10 H new ATOM 701 N SER A 44 19.515 38.239 13.238 1.00 62.41 N ATOM 702 CA SER A 44 18.805 39.502 13.407 1.00 41.14 C ATOM 703 C SER A 44 17.491 39.291 14.151 1.00 30.14 C ATOM 704 O SER A 44 17.078 40.126 14.958 1.00 44.23 O ATOM 705 CB SER A 44 18.536 40.145 12.046 1.00 51.43 C ATOM 706 OG SER A 44 19.493 41.151 11.758 1.00 23.11 O ATOM 0 H SER A 44 18.930 37.465 12.923 1.00 62.41 H new ATOM 0 HA SER A 44 19.434 40.168 13.998 1.00 41.14 H new ATOM 0 HB2 SER A 44 18.561 39.382 11.268 1.00 51.43 H new ATOM 0 HB3 SER A 44 17.535 40.577 12.036 1.00 51.43 H new ATOM 0 HG SER A 44 20.110 40.828 11.069 1.00 23.11 H new ATOM 712 N LYS A 45 16.836 38.168 13.877 1.00 75.02 N ATOM 713 CA LYS A 45 15.568 37.844 14.520 1.00 73.11 C ATOM 714 C LYS A 45 15.664 38.020 16.031 1.00 20.03 C ATOM 715 O LYS A 45 14.692 38.398 16.684 1.00 4.34 O ATOM 716 CB LYS A 45 15.157 36.408 14.187 1.00 1.12 C ATOM 717 CG LYS A 45 15.123 36.114 12.697 1.00 24.44 C ATOM 718 CD LYS A 45 15.748 34.764 12.382 1.00 52.34 C ATOM 719 CE LYS A 45 15.101 34.122 11.164 1.00 32.03 C ATOM 720 NZ LYS A 45 13.660 33.825 11.394 1.00 53.10 N ATOM 0 H LYS A 45 17.163 37.466 13.213 1.00 75.02 H new ATOM 0 HA LYS A 45 14.810 38.529 14.140 1.00 73.11 H new ATOM 0 HB2 LYS A 45 15.851 35.719 14.669 1.00 1.12 H new ATOM 0 HB3 LYS A 45 14.171 36.214 14.609 1.00 1.12 H new ATOM 0 HG2 LYS A 45 14.091 36.130 12.345 1.00 24.44 H new ATOM 0 HG3 LYS A 45 15.656 36.898 12.158 1.00 24.44 H new ATOM 0 HD2 LYS A 45 16.816 34.889 12.205 1.00 52.34 H new ATOM 0 HD3 LYS A 45 15.643 34.103 13.242 1.00 52.34 H new ATOM 0 HE2 LYS A 45 15.202 34.787 10.306 1.00 32.03 H new ATOM 0 HE3 LYS A 45 15.627 33.200 10.917 1.00 32.03 H new ATOM 0 HZ1 LYS A 45 13.370 33.025 10.795 1.00 53.10 H new ATOM 0 HZ2 LYS A 45 13.511 33.581 12.394 1.00 53.10 H new ATOM 0 HZ3 LYS A 45 13.091 34.661 11.154 1.00 53.10 H new ATOM 734 N ALA A 46 16.843 37.744 16.581 1.00 12.23 N ATOM 735 CA ALA A 46 17.066 37.877 18.015 1.00 72.42 C ATOM 736 C ALA A 46 18.394 38.568 18.303 1.00 51.42 C ATOM 737 O ALA A 46 19.263 38.652 17.434 1.00 23.43 O ATOM 738 CB ALA A 46 17.026 36.510 18.684 1.00 55.02 C ATOM 0 H ALA A 46 17.657 37.427 16.055 1.00 12.23 H new ATOM 0 HA ALA A 46 16.268 38.495 18.425 1.00 72.42 H new ATOM 0 HB1 ALA A 46 17.194 36.624 19.755 1.00 55.02 H new ATOM 0 HB2 ALA A 46 16.052 36.051 18.516 1.00 55.02 H new ATOM 0 HB3 ALA A 46 17.804 35.875 18.260 1.00 55.02 H new ATOM 744 N LEU A 47 18.544 39.065 19.526 1.00 43.31 N ATOM 745 CA LEU A 47 19.767 39.752 19.928 1.00 62.21 C ATOM 746 C LEU A 47 20.134 39.410 21.368 1.00 42.42 C ATOM 747 O LEU A 47 20.467 40.292 22.161 1.00 21.33 O ATOM 748 CB LEU A 47 19.599 41.264 19.777 1.00 10.41 C ATOM 749 CG LEU A 47 19.307 41.770 18.364 1.00 73.44 C ATOM 750 CD1 LEU A 47 17.840 42.145 18.225 1.00 54.43 C ATOM 751 CD2 LEU A 47 20.197 42.957 18.027 1.00 63.13 C ATOM 0 H LEU A 47 17.834 39.005 20.256 1.00 43.31 H new ATOM 0 HA LEU A 47 20.574 39.416 19.277 1.00 62.21 H new ATOM 0 HB2 LEU A 47 18.789 41.586 20.431 1.00 10.41 H new ATOM 0 HB3 LEU A 47 20.508 41.748 20.134 1.00 10.41 H new ATOM 0 HG LEU A 47 19.525 40.968 17.659 1.00 73.44 H new ATOM 0 HD11 LEU A 47 17.650 42.503 17.213 1.00 54.43 H new ATOM 0 HD12 LEU A 47 17.221 41.270 18.423 1.00 54.43 H new ATOM 0 HD13 LEU A 47 17.596 42.931 18.940 1.00 54.43 H new ATOM 0 HD21 LEU A 47 19.975 43.303 17.018 1.00 63.13 H new ATOM 0 HD22 LEU A 47 20.012 43.764 18.736 1.00 63.13 H new ATOM 0 HD23 LEU A 47 21.243 42.656 18.085 1.00 63.13 H new ATOM 763 N PHE A 48 20.075 38.125 21.700 1.00 61.23 N ATOM 764 CA PHE A 48 20.403 37.666 23.045 1.00 44.21 C ATOM 765 C PHE A 48 19.521 38.352 24.083 1.00 11.01 C ATOM 766 O PHE A 48 19.125 39.505 23.913 1.00 43.10 O ATOM 767 CB PHE A 48 21.878 37.936 23.353 1.00 21.23 C ATOM 768 CG PHE A 48 22.098 39.144 24.217 1.00 44.23 C ATOM 769 CD1 PHE A 48 21.814 39.105 25.572 1.00 44.13 C ATOM 770 CD2 PHE A 48 22.590 40.321 23.673 1.00 22.33 C ATOM 771 CE1 PHE A 48 22.015 40.215 26.369 1.00 2.34 C ATOM 772 CE2 PHE A 48 22.793 41.435 24.465 1.00 5.13 C ATOM 773 CZ PHE A 48 22.507 41.382 25.816 1.00 51.22 C ATOM 0 H PHE A 48 19.803 37.382 21.056 1.00 61.23 H new ATOM 0 HA PHE A 48 20.220 36.592 23.091 1.00 44.21 H new ATOM 0 HB2 PHE A 48 22.303 37.063 23.848 1.00 21.23 H new ATOM 0 HB3 PHE A 48 22.419 38.066 22.416 1.00 21.23 H new ATOM 0 HD1 PHE A 48 21.431 38.196 26.011 1.00 44.13 H new ATOM 0 HD2 PHE A 48 22.817 40.367 22.618 1.00 22.33 H new ATOM 0 HE1 PHE A 48 21.788 40.171 27.424 1.00 2.34 H new ATOM 0 HE2 PHE A 48 23.175 42.346 24.029 1.00 5.13 H new ATOM 0 HZ PHE A 48 22.668 42.250 26.438 1.00 51.22 H new ATOM 783 N SER A 49 19.218 37.634 25.160 1.00 35.03 N ATOM 784 CA SER A 49 18.379 38.171 26.225 1.00 13.55 C ATOM 785 C SER A 49 18.375 37.242 27.435 1.00 25.02 C ATOM 786 O SER A 49 17.513 36.373 27.561 1.00 35.32 O ATOM 787 CB SER A 49 16.949 38.377 25.722 1.00 14.11 C ATOM 788 OG SER A 49 16.343 39.494 26.350 1.00 41.04 O ATOM 0 H SER A 49 19.541 36.679 25.318 1.00 35.03 H new ATOM 0 HA SER A 49 18.792 39.133 26.529 1.00 13.55 H new ATOM 0 HB2 SER A 49 16.958 38.524 24.642 1.00 14.11 H new ATOM 0 HB3 SER A 49 16.359 37.482 25.917 1.00 14.11 H new ATOM 0 HG SER A 49 15.431 39.605 26.010 1.00 41.04 H new ATOM 794 N GLN A 50 19.347 37.432 28.322 1.00 75.33 N ATOM 795 CA GLN A 50 19.457 36.611 29.522 1.00 71.41 C ATOM 796 C GLN A 50 19.839 35.178 29.167 1.00 60.24 C ATOM 797 O GLN A 50 20.990 34.772 29.334 1.00 35.11 O ATOM 798 CB GLN A 50 18.137 36.622 30.296 1.00 60.03 C ATOM 799 CG GLN A 50 18.229 37.319 31.643 1.00 53.21 C ATOM 800 CD GLN A 50 18.163 38.829 31.523 1.00 4.44 C ATOM 801 OE1 GLN A 50 17.087 39.424 31.598 1.00 71.40 O ATOM 802 NE2 GLN A 50 19.317 39.459 31.338 1.00 40.14 N ATOM 0 H GLN A 50 20.069 38.147 28.232 1.00 75.33 H new ATOM 0 HA GLN A 50 20.242 37.033 30.150 1.00 71.41 H new ATOM 0 HB2 GLN A 50 17.375 37.115 29.692 1.00 60.03 H new ATOM 0 HB3 GLN A 50 17.807 35.595 30.449 1.00 60.03 H new ATOM 0 HG2 GLN A 50 17.417 36.973 32.283 1.00 53.21 H new ATOM 0 HG3 GLN A 50 19.162 37.037 32.131 1.00 53.21 H new ATOM 0 HE21 GLN A 50 20.185 38.927 31.282 1.00 40.14 H new ATOM 0 HE22 GLN A 50 19.335 40.475 31.252 1.00 40.14 H new ATOM 811 N SER A 51 18.868 34.415 28.677 1.00 75.25 N ATOM 812 CA SER A 51 19.103 33.025 28.301 1.00 14.24 C ATOM 813 C SER A 51 18.691 32.776 26.853 1.00 33.15 C ATOM 814 O SER A 51 17.787 31.987 26.580 1.00 42.03 O ATOM 815 CB SER A 51 18.330 32.087 29.231 1.00 62.32 C ATOM 816 OG SER A 51 18.866 30.776 29.193 1.00 64.03 O ATOM 0 H SER A 51 17.911 34.735 28.531 1.00 75.25 H new ATOM 0 HA SER A 51 20.170 32.824 28.396 1.00 14.24 H new ATOM 0 HB2 SER A 51 18.367 32.469 30.251 1.00 62.32 H new ATOM 0 HB3 SER A 51 17.280 32.063 28.938 1.00 62.32 H new ATOM 0 HG SER A 51 18.465 30.238 29.907 1.00 64.03 H new ATOM 822 N ALA A 52 19.362 33.456 25.929 1.00 23.03 N ATOM 823 CA ALA A 52 19.069 33.308 24.509 1.00 61.24 C ATOM 824 C ALA A 52 19.072 31.839 24.098 1.00 12.12 C ATOM 825 O ALA A 52 18.076 31.326 23.585 1.00 2.43 O ATOM 826 CB ALA A 52 20.074 34.092 23.678 1.00 34.11 C ATOM 0 H ALA A 52 20.112 34.115 26.139 1.00 23.03 H new ATOM 0 HA ALA A 52 18.072 33.708 24.326 1.00 61.24 H new ATOM 0 HB1 ALA A 52 19.843 33.972 22.620 1.00 34.11 H new ATOM 0 HB2 ALA A 52 20.021 35.148 23.944 1.00 34.11 H new ATOM 0 HB3 ALA A 52 21.079 33.718 23.875 1.00 34.11 H new ATOM 832 N ILE A 53 20.196 31.168 24.326 1.00 52.23 N ATOM 833 CA ILE A 53 20.327 29.759 23.979 1.00 75.42 C ATOM 834 C ILE A 53 20.986 28.973 25.108 1.00 52.11 C ATOM 835 O ILE A 53 22.212 28.878 25.177 1.00 13.14 O ATOM 836 CB ILE A 53 21.147 29.569 22.689 1.00 42.30 C ATOM 837 CG1 ILE A 53 20.438 30.231 21.507 1.00 53.15 C ATOM 838 CG2 ILE A 53 21.374 28.090 22.418 1.00 63.14 C ATOM 839 CD1 ILE A 53 20.962 29.782 20.160 1.00 42.12 C ATOM 0 H ILE A 53 21.029 31.578 24.749 1.00 52.23 H new ATOM 0 HA ILE A 53 19.318 29.380 23.817 1.00 75.42 H new ATOM 0 HB ILE A 53 22.118 30.046 22.819 1.00 42.30 H new ATOM 0 HG12 ILE A 53 19.372 30.012 21.564 1.00 53.15 H new ATOM 0 HG13 ILE A 53 20.546 31.313 21.588 1.00 53.15 H new ATOM 0 HG21 ILE A 53 21.955 27.973 21.503 1.00 63.14 H new ATOM 0 HG22 ILE A 53 21.917 27.646 23.252 1.00 63.14 H new ATOM 0 HG23 ILE A 53 20.413 27.589 22.304 1.00 63.14 H new ATOM 0 HD11 ILE A 53 20.414 30.292 19.368 1.00 42.12 H new ATOM 0 HD12 ILE A 53 22.022 30.025 20.082 1.00 42.12 H new ATOM 0 HD13 ILE A 53 20.829 28.705 20.058 1.00 42.12 H new ATOM 851 N SER A 54 20.165 28.412 25.989 1.00 72.13 N ATOM 852 CA SER A 54 20.669 27.636 27.116 1.00 23.10 C ATOM 853 C SER A 54 21.415 26.397 26.633 1.00 64.30 C ATOM 854 O SER A 54 20.814 25.348 26.402 1.00 74.10 O ATOM 855 CB SER A 54 19.517 27.226 28.036 1.00 70.12 C ATOM 856 OG SER A 54 19.809 27.534 29.388 1.00 21.42 O ATOM 0 H SER A 54 19.148 28.480 25.945 1.00 72.13 H new ATOM 0 HA SER A 54 21.365 28.262 27.674 1.00 23.10 H new ATOM 0 HB2 SER A 54 18.605 27.739 27.732 1.00 70.12 H new ATOM 0 HB3 SER A 54 19.330 26.157 27.936 1.00 70.12 H new ATOM 0 HG SER A 54 18.976 27.727 29.867 1.00 21.42 H new ATOM 862 N GLN A 55 22.730 26.526 26.483 1.00 75.12 N ATOM 863 CA GLN A 55 23.559 25.416 26.025 1.00 34.12 C ATOM 864 C GLN A 55 23.254 24.148 26.816 1.00 74.32 C ATOM 865 O GLN A 55 23.460 23.035 26.330 1.00 12.50 O ATOM 866 CB GLN A 55 25.040 25.771 26.158 1.00 61.10 C ATOM 867 CG GLN A 55 25.479 26.903 25.244 1.00 53.54 C ATOM 868 CD GLN A 55 26.687 26.540 24.402 1.00 30.45 C ATOM 869 OE1 GLN A 55 27.596 25.852 24.866 1.00 22.41 O ATOM 870 NE2 GLN A 55 26.701 27.001 23.157 1.00 63.21 N ATOM 0 H GLN A 55 23.244 27.387 26.672 1.00 75.12 H new ATOM 0 HA GLN A 55 23.330 25.232 24.975 1.00 34.12 H new ATOM 0 HB2 GLN A 55 25.247 26.049 27.192 1.00 61.10 H new ATOM 0 HB3 GLN A 55 25.638 24.886 25.940 1.00 61.10 H new ATOM 0 HG2 GLN A 55 24.653 27.176 24.588 1.00 53.54 H new ATOM 0 HG3 GLN A 55 25.712 27.781 25.846 1.00 53.54 H new ATOM 0 HE21 GLN A 55 25.925 27.568 22.814 1.00 63.21 H new ATOM 0 HE22 GLN A 55 27.487 26.788 22.543 1.00 63.21 H new ATOM 879 N LYS A 56 22.762 24.322 28.038 1.00 53.55 N ATOM 880 CA LYS A 56 22.429 23.192 28.897 1.00 34.12 C ATOM 881 C LYS A 56 21.679 22.118 28.116 1.00 12.13 C ATOM 882 O LYS A 56 21.906 20.925 28.310 1.00 20.44 O ATOM 883 CB LYS A 56 21.581 23.659 30.083 1.00 4.52 C ATOM 884 CG LYS A 56 20.507 24.664 29.705 1.00 52.43 C ATOM 885 CD LYS A 56 19.627 25.013 30.894 1.00 53.24 C ATOM 886 CE LYS A 56 20.382 25.842 31.921 1.00 4.34 C ATOM 887 NZ LYS A 56 19.465 26.703 32.720 1.00 44.01 N ATOM 0 H LYS A 56 22.585 25.235 28.456 1.00 53.55 H new ATOM 0 HA LYS A 56 23.360 22.764 29.269 1.00 34.12 H new ATOM 0 HB2 LYS A 56 21.109 22.792 30.545 1.00 4.52 H new ATOM 0 HB3 LYS A 56 22.235 24.104 30.833 1.00 4.52 H new ATOM 0 HG2 LYS A 56 20.975 25.570 29.319 1.00 52.43 H new ATOM 0 HG3 LYS A 56 19.892 24.256 28.903 1.00 52.43 H new ATOM 0 HD2 LYS A 56 18.752 25.565 30.551 1.00 53.24 H new ATOM 0 HD3 LYS A 56 19.263 24.097 31.360 1.00 53.24 H new ATOM 0 HE2 LYS A 56 20.933 25.180 32.589 1.00 4.34 H new ATOM 0 HE3 LYS A 56 21.117 26.467 31.414 1.00 4.34 H new ATOM 0 HZ1 LYS A 56 20.017 27.253 33.409 1.00 44.01 H new ATOM 0 HZ2 LYS A 56 18.958 27.353 32.086 1.00 44.01 H new ATOM 0 HZ3 LYS A 56 18.779 26.106 33.224 1.00 44.01 H new ATOM 901 N GLU A 57 20.786 22.551 27.231 1.00 71.54 N ATOM 902 CA GLU A 57 20.004 21.624 26.420 1.00 23.22 C ATOM 903 C GLU A 57 19.581 22.275 25.106 1.00 60.24 C ATOM 904 O GLU A 57 19.435 21.600 24.086 1.00 71.13 O ATOM 905 CB GLU A 57 18.767 21.156 27.190 1.00 22.44 C ATOM 906 CG GLU A 57 19.094 20.315 28.413 1.00 42.24 C ATOM 907 CD GLU A 57 17.924 19.464 28.866 1.00 74.01 C ATOM 908 OE1 GLU A 57 17.105 19.959 29.668 1.00 1.21 O ATOM 909 OE2 GLU A 57 17.826 18.302 28.417 1.00 45.41 O ATOM 0 H GLU A 57 20.586 23.536 27.057 1.00 71.54 H new ATOM 0 HA GLU A 57 20.631 20.761 26.194 1.00 23.22 H new ATOM 0 HB2 GLU A 57 18.192 22.028 27.502 1.00 22.44 H new ATOM 0 HB3 GLU A 57 18.130 20.577 26.521 1.00 22.44 H new ATOM 0 HG2 GLU A 57 19.943 19.669 28.189 1.00 42.24 H new ATOM 0 HG3 GLU A 57 19.399 20.970 29.229 1.00 42.24 H new ATOM 916 N TYR A 58 19.386 23.588 25.138 1.00 42.12 N ATOM 917 CA TYR A 58 18.978 24.329 23.951 1.00 3.20 C ATOM 918 C TYR A 58 17.694 23.751 23.363 1.00 41.32 C ATOM 919 O TYR A 58 17.410 22.563 23.512 1.00 73.43 O ATOM 920 CB TYR A 58 20.090 24.305 22.902 1.00 15.21 C ATOM 921 CG TYR A 58 19.837 23.332 21.773 1.00 11.01 C ATOM 922 CD1 TYR A 58 18.966 23.649 20.737 1.00 44.21 C ATOM 923 CD2 TYR A 58 20.468 22.095 21.742 1.00 51.00 C ATOM 924 CE1 TYR A 58 18.731 22.762 19.705 1.00 62.31 C ATOM 925 CE2 TYR A 58 20.240 21.202 20.712 1.00 43.43 C ATOM 926 CZ TYR A 58 19.370 21.540 19.697 1.00 64.11 C ATOM 927 OH TYR A 58 19.140 20.654 18.669 1.00 43.23 O ATOM 0 H TYR A 58 19.504 24.161 25.973 1.00 42.12 H new ATOM 0 HA TYR A 58 18.788 25.361 24.245 1.00 3.20 H new ATOM 0 HB2 TYR A 58 20.209 25.306 22.488 1.00 15.21 H new ATOM 0 HB3 TYR A 58 21.031 24.048 23.388 1.00 15.21 H new ATOM 0 HD1 TYR A 58 18.464 24.605 20.739 1.00 44.21 H new ATOM 0 HD2 TYR A 58 21.149 21.826 22.536 1.00 51.00 H new ATOM 0 HE1 TYR A 58 18.050 23.024 18.908 1.00 62.31 H new ATOM 0 HE2 TYR A 58 20.740 20.245 20.702 1.00 43.43 H new ATOM 0 HH TYR A 58 19.668 19.841 18.813 1.00 43.23 H new ATOM 937 N ASP A 59 16.924 24.600 22.692 1.00 12.34 N ATOM 938 CA ASP A 59 15.672 24.176 22.078 1.00 51.21 C ATOM 939 C ASP A 59 15.620 24.585 20.609 1.00 21.12 C ATOM 940 O ASP A 59 16.436 25.382 20.148 1.00 43.11 O ATOM 941 CB ASP A 59 14.482 24.774 22.829 1.00 11.42 C ATOM 942 CG ASP A 59 13.239 23.913 22.727 1.00 73.32 C ATOM 943 OD1 ASP A 59 13.291 22.742 23.158 1.00 62.41 O ATOM 944 OD2 ASP A 59 12.213 24.409 22.216 1.00 22.23 O ATOM 0 H ASP A 59 17.145 25.587 22.559 1.00 12.34 H new ATOM 0 HA ASP A 59 15.619 23.089 22.136 1.00 51.21 H new ATOM 0 HB2 ASP A 59 14.746 24.902 23.879 1.00 11.42 H new ATOM 0 HB3 ASP A 59 14.267 25.766 22.431 1.00 11.42 H new ATOM 949 N SER A 60 14.655 24.034 19.880 1.00 10.22 N ATOM 950 CA SER A 60 14.500 24.338 18.463 1.00 53.12 C ATOM 951 C SER A 60 13.955 25.749 18.266 1.00 34.30 C ATOM 952 O SER A 60 13.985 26.290 17.160 1.00 32.45 O ATOM 953 CB SER A 60 13.567 23.322 17.801 1.00 22.21 C ATOM 954 OG SER A 60 14.246 22.580 16.802 1.00 44.11 O ATOM 0 H SER A 60 13.969 23.375 20.248 1.00 10.22 H new ATOM 0 HA SER A 60 15.482 24.278 17.995 1.00 53.12 H new ATOM 0 HB2 SER A 60 13.170 22.643 18.556 1.00 22.21 H new ATOM 0 HB3 SER A 60 12.716 23.840 17.358 1.00 22.21 H new ATOM 0 HG SER A 60 13.628 21.937 16.396 1.00 44.11 H new ATOM 960 N SER A 61 13.457 26.340 19.347 1.00 33.53 N ATOM 961 CA SER A 61 12.900 27.687 19.295 1.00 54.12 C ATOM 962 C SER A 61 13.874 28.651 18.624 1.00 53.14 C ATOM 963 O SER A 61 13.464 29.583 17.930 1.00 1.22 O ATOM 964 CB SER A 61 12.567 28.180 20.705 1.00 40.44 C ATOM 965 OG SER A 61 11.185 28.039 20.981 1.00 53.52 O ATOM 0 H SER A 61 13.428 25.907 20.270 1.00 33.53 H new ATOM 0 HA SER A 61 11.984 27.652 18.705 1.00 54.12 H new ATOM 0 HB2 SER A 61 13.146 27.617 21.437 1.00 40.44 H new ATOM 0 HB3 SER A 61 12.856 29.226 20.806 1.00 40.44 H new ATOM 0 HG SER A 61 10.998 28.359 21.888 1.00 53.52 H new ATOM 971 N LEU A 62 15.165 28.419 18.833 1.00 11.33 N ATOM 972 CA LEU A 62 16.199 29.266 18.249 1.00 40.24 C ATOM 973 C LEU A 62 16.407 28.933 16.775 1.00 13.43 C ATOM 974 O LEU A 62 16.597 29.825 15.948 1.00 45.31 O ATOM 975 CB LEU A 62 17.515 29.098 19.011 1.00 33.53 C ATOM 976 CG LEU A 62 18.089 27.681 19.055 1.00 35.32 C ATOM 977 CD1 LEU A 62 19.262 27.550 18.098 1.00 41.55 C ATOM 978 CD2 LEU A 62 18.511 27.320 20.472 1.00 52.23 C ATOM 0 H LEU A 62 15.521 27.651 19.403 1.00 11.33 H new ATOM 0 HA LEU A 62 15.871 30.303 18.326 1.00 40.24 H new ATOM 0 HB2 LEU A 62 18.259 29.756 18.561 1.00 33.53 H new ATOM 0 HB3 LEU A 62 17.365 29.440 20.035 1.00 33.53 H new ATOM 0 HG LEU A 62 17.311 26.985 18.741 1.00 35.32 H new ATOM 0 HD11 LEU A 62 19.657 26.535 18.143 1.00 41.55 H new ATOM 0 HD12 LEU A 62 18.929 27.765 17.083 1.00 41.55 H new ATOM 0 HD13 LEU A 62 20.043 28.256 18.381 1.00 41.55 H new ATOM 0 HD21 LEU A 62 18.917 26.308 20.484 1.00 52.23 H new ATOM 0 HD22 LEU A 62 19.272 28.021 20.815 1.00 52.23 H new ATOM 0 HD23 LEU A 62 17.646 27.372 21.134 1.00 52.23 H new ATOM 990 N ALA A 63 16.365 27.645 16.453 1.00 44.13 N ATOM 991 CA ALA A 63 16.544 27.195 15.078 1.00 42.32 C ATOM 992 C ALA A 63 15.314 27.511 14.233 1.00 64.14 C ATOM 993 O ALA A 63 14.229 26.980 14.473 1.00 3.53 O ATOM 994 CB ALA A 63 16.840 25.703 15.044 1.00 4.04 C ATOM 0 H ALA A 63 16.209 26.894 17.126 1.00 44.13 H new ATOM 0 HA ALA A 63 17.393 27.732 14.654 1.00 42.32 H new ATOM 0 HB1 ALA A 63 16.971 25.382 14.011 1.00 4.04 H new ATOM 0 HB2 ALA A 63 17.752 25.500 15.606 1.00 4.04 H new ATOM 0 HB3 ALA A 63 16.009 25.157 15.491 1.00 4.04 H new ATOM 1000 N THR A 64 15.490 28.379 13.240 1.00 24.43 N ATOM 1001 CA THR A 64 14.395 28.767 12.361 1.00 31.55 C ATOM 1002 C THR A 64 14.920 29.338 11.049 1.00 74.42 C ATOM 1003 O THR A 64 15.323 30.500 10.983 1.00 14.10 O ATOM 1004 CB THR A 64 13.478 29.807 13.031 1.00 71.00 C ATOM 1005 OG1 THR A 64 13.726 29.844 14.440 1.00 24.32 O ATOM 1006 CG2 THR A 64 12.014 29.481 12.777 1.00 13.51 C ATOM 0 H THR A 64 16.381 28.826 13.025 1.00 24.43 H new ATOM 0 HA THR A 64 13.819 27.865 12.156 1.00 31.55 H new ATOM 0 HB THR A 64 13.697 30.783 12.599 1.00 71.00 H new ATOM 0 HG1 THR A 64 13.140 30.509 14.858 1.00 24.32 H new ATOM 0 HG21 THR A 64 11.386 30.229 13.260 1.00 13.51 H new ATOM 0 HG22 THR A 64 11.822 29.483 11.704 1.00 13.51 H new ATOM 0 HG23 THR A 64 11.784 28.497 13.185 1.00 13.51 H new ATOM 1014 N LEU A 65 14.912 28.516 10.006 1.00 33.12 N ATOM 1015 CA LEU A 65 15.387 28.940 8.693 1.00 31.11 C ATOM 1016 C LEU A 65 14.538 28.328 7.583 1.00 32.15 C ATOM 1017 O LEU A 65 15.053 27.951 6.530 1.00 14.11 O ATOM 1018 CB LEU A 65 16.852 28.544 8.507 1.00 60.32 C ATOM 1019 CG LEU A 65 17.650 28.303 9.788 1.00 62.12 C ATOM 1020 CD1 LEU A 65 17.417 26.892 10.305 1.00 4.15 C ATOM 1021 CD2 LEU A 65 19.134 28.546 9.546 1.00 11.34 C ATOM 0 H LEU A 65 14.582 27.552 10.043 1.00 33.12 H new ATOM 0 HA LEU A 65 15.300 30.025 8.635 1.00 31.11 H new ATOM 0 HB2 LEU A 65 16.888 27.637 7.904 1.00 60.32 H new ATOM 0 HB3 LEU A 65 17.349 29.327 7.935 1.00 60.32 H new ATOM 0 HG LEU A 65 17.305 29.007 10.545 1.00 62.12 H new ATOM 0 HD11 LEU A 65 17.993 26.739 11.217 1.00 4.15 H new ATOM 0 HD12 LEU A 65 16.357 26.753 10.518 1.00 4.15 H new ATOM 0 HD13 LEU A 65 17.733 26.171 9.551 1.00 4.15 H new ATOM 0 HD21 LEU A 65 19.687 28.370 10.469 1.00 11.34 H new ATOM 0 HD22 LEU A 65 19.493 27.867 8.773 1.00 11.34 H new ATOM 0 HD23 LEU A 65 19.286 29.576 9.223 1.00 11.34 H new ATOM 1033 N ASP A 66 13.235 28.235 7.826 1.00 53.04 N ATOM 1034 CA ASP A 66 12.313 27.673 6.845 1.00 62.03 C ATOM 1035 C ASP A 66 12.656 26.216 6.551 1.00 72.45 C ATOM 1036 O ASP A 66 13.708 25.917 5.983 1.00 31.34 O ATOM 1037 CB ASP A 66 12.349 28.490 5.552 1.00 21.31 C ATOM 1038 CG ASP A 66 11.605 29.805 5.678 1.00 24.32 C ATOM 1039 OD1 ASP A 66 10.361 29.796 5.564 1.00 42.10 O ATOM 1040 OD2 ASP A 66 12.266 30.843 5.890 1.00 31.02 O ATOM 0 H ASP A 66 12.794 28.541 8.693 1.00 53.04 H new ATOM 0 HA ASP A 66 11.307 27.714 7.263 1.00 62.03 H new ATOM 0 HB2 ASP A 66 13.386 28.687 5.279 1.00 21.31 H new ATOM 0 HB3 ASP A 66 11.912 27.904 4.743 1.00 21.31 H new ATOM 1045 N HIS A 67 11.762 25.312 6.940 1.00 64.11 N ATOM 1046 CA HIS A 67 11.970 23.885 6.717 1.00 0.44 C ATOM 1047 C HIS A 67 10.719 23.239 6.131 1.00 71.14 C ATOM 1048 O HIS A 67 9.596 23.614 6.469 1.00 71.13 O ATOM 1049 CB HIS A 67 12.349 23.194 8.027 1.00 5.54 C ATOM 1050 CG HIS A 67 13.298 23.989 8.872 1.00 63.42 C ATOM 1051 ND1 HIS A 67 13.124 24.175 10.227 1.00 13.42 N ATOM 1052 CD2 HIS A 67 14.435 24.645 8.546 1.00 5.22 C ATOM 1053 CE1 HIS A 67 14.113 24.913 10.698 1.00 11.12 C ATOM 1054 NE2 HIS A 67 14.923 25.212 9.698 1.00 21.24 N ATOM 0 H HIS A 67 10.887 25.542 7.411 1.00 64.11 H new ATOM 0 HA HIS A 67 12.786 23.768 6.003 1.00 0.44 H new ATOM 0 HB2 HIS A 67 11.443 22.998 8.600 1.00 5.54 H new ATOM 0 HB3 HIS A 67 12.799 22.227 7.801 1.00 5.54 H new ATOM 0 HD1 HIS A 67 12.352 23.801 10.779 1.00 13.42 H new ATOM 0 HD2 HIS A 67 14.877 24.711 7.563 1.00 5.22 H new ATOM 0 HE1 HIS A 67 14.238 25.220 11.726 1.00 11.12 H new ATOM 1062 N THR A 68 10.920 22.265 5.248 1.00 44.30 N ATOM 1063 CA THR A 68 9.809 21.567 4.613 1.00 43.40 C ATOM 1064 C THR A 68 9.510 20.251 5.321 1.00 42.00 C ATOM 1065 O THR A 68 10.195 19.252 5.107 1.00 2.21 O ATOM 1066 CB THR A 68 10.102 21.284 3.127 1.00 35.55 C ATOM 1067 OG1 THR A 68 10.191 22.515 2.402 1.00 44.33 O ATOM 1068 CG2 THR A 68 9.013 20.410 2.520 1.00 11.42 C ATOM 0 H THR A 68 11.843 21.942 4.957 1.00 44.30 H new ATOM 0 HA THR A 68 8.940 22.220 4.687 1.00 43.40 H new ATOM 0 HB THR A 68 11.052 20.755 3.060 1.00 35.55 H new ATOM 0 HG1 THR A 68 10.379 22.326 1.459 1.00 44.33 H new ATOM 0 HG21 THR A 68 9.240 20.223 1.470 1.00 11.42 H new ATOM 0 HG22 THR A 68 8.966 19.462 3.056 1.00 11.42 H new ATOM 0 HG23 THR A 68 8.052 20.919 2.598 1.00 11.42 H new ATOM 1076 N GLU A 69 8.482 20.259 6.164 1.00 71.23 N ATOM 1077 CA GLU A 69 8.093 19.064 6.903 1.00 75.14 C ATOM 1078 C GLU A 69 7.385 18.066 5.990 1.00 44.14 C ATOM 1079 O GLU A 69 6.454 18.422 5.267 1.00 43.50 O ATOM 1080 CB GLU A 69 7.180 19.436 8.073 1.00 3.21 C ATOM 1081 CG GLU A 69 7.613 20.695 8.806 1.00 14.43 C ATOM 1082 CD GLU A 69 6.702 21.036 9.970 1.00 61.21 C ATOM 1083 OE1 GLU A 69 6.853 20.416 11.043 1.00 45.34 O ATOM 1084 OE2 GLU A 69 5.838 21.922 9.807 1.00 73.24 O ATOM 0 H GLU A 69 7.905 21.079 6.352 1.00 71.23 H new ATOM 0 HA GLU A 69 8.998 18.597 7.291 1.00 75.14 H new ATOM 0 HB2 GLU A 69 6.165 19.573 7.701 1.00 3.21 H new ATOM 0 HB3 GLU A 69 7.152 18.606 8.779 1.00 3.21 H new ATOM 0 HG2 GLU A 69 8.631 20.565 9.173 1.00 14.43 H new ATOM 0 HG3 GLU A 69 7.630 21.530 8.106 1.00 14.43 H new ATOM 1091 N ILE A 70 7.834 16.816 6.030 1.00 74.13 N ATOM 1092 CA ILE A 70 7.245 15.767 5.207 1.00 32.24 C ATOM 1093 C ILE A 70 6.086 15.087 5.930 1.00 0.14 C ATOM 1094 O ILE A 70 6.283 14.397 6.930 1.00 22.14 O ATOM 1095 CB ILE A 70 8.289 14.702 4.820 1.00 75.22 C ATOM 1096 CG1 ILE A 70 9.399 15.330 3.976 1.00 43.15 C ATOM 1097 CG2 ILE A 70 7.625 13.560 4.066 1.00 34.43 C ATOM 1098 CD1 ILE A 70 10.476 16.004 4.798 1.00 32.30 C ATOM 0 H ILE A 70 8.603 16.505 6.623 1.00 74.13 H new ATOM 0 HA ILE A 70 6.874 16.247 4.301 1.00 32.24 H new ATOM 0 HB ILE A 70 8.733 14.300 5.731 1.00 75.22 H new ATOM 0 HG12 ILE A 70 9.856 14.557 3.358 1.00 43.15 H new ATOM 0 HG13 ILE A 70 8.959 16.062 3.298 1.00 43.15 H new ATOM 0 HG21 ILE A 70 8.375 12.815 3.799 1.00 34.43 H new ATOM 0 HG22 ILE A 70 6.865 13.100 4.698 1.00 34.43 H new ATOM 0 HG23 ILE A 70 7.158 13.945 3.160 1.00 34.43 H new ATOM 0 HD11 ILE A 70 11.230 16.427 4.134 1.00 32.30 H new ATOM 0 HD12 ILE A 70 10.032 16.800 5.397 1.00 32.30 H new ATOM 0 HD13 ILE A 70 10.943 15.272 5.457 1.00 32.30 H new ATOM 1110 N LYS A 71 4.877 15.287 5.416 1.00 21.41 N ATOM 1111 CA LYS A 71 3.686 14.692 6.009 1.00 15.12 C ATOM 1112 C LYS A 71 3.364 13.352 5.355 1.00 35.11 C ATOM 1113 O LYS A 71 3.790 13.080 4.234 1.00 53.05 O ATOM 1114 CB LYS A 71 2.493 15.641 5.869 1.00 71.41 C ATOM 1115 CG LYS A 71 2.256 16.113 4.445 1.00 43.23 C ATOM 1116 CD LYS A 71 2.301 17.629 4.346 1.00 43.53 C ATOM 1117 CE LYS A 71 3.653 18.115 3.842 1.00 22.44 C ATOM 1118 NZ LYS A 71 3.509 19.159 2.791 1.00 53.23 N ATOM 0 H LYS A 71 4.697 15.857 4.590 1.00 21.41 H new ATOM 0 HA LYS A 71 3.884 14.521 7.067 1.00 15.12 H new ATOM 0 HB2 LYS A 71 1.596 15.139 6.231 1.00 71.41 H new ATOM 0 HB3 LYS A 71 2.653 16.509 6.509 1.00 71.41 H new ATOM 0 HG2 LYS A 71 3.011 15.682 3.787 1.00 43.23 H new ATOM 0 HG3 LYS A 71 1.287 15.753 4.098 1.00 43.23 H new ATOM 0 HD2 LYS A 71 1.515 17.974 3.674 1.00 43.53 H new ATOM 0 HD3 LYS A 71 2.098 18.065 5.324 1.00 43.53 H new ATOM 0 HE2 LYS A 71 4.229 18.516 4.676 1.00 22.44 H new ATOM 0 HE3 LYS A 71 4.216 17.272 3.442 1.00 22.44 H new ATOM 0 HZ1 LYS A 71 4.451 19.464 2.473 1.00 53.23 H new ATOM 0 HZ2 LYS A 71 2.981 18.769 1.984 1.00 53.23 H new ATOM 0 HZ3 LYS A 71 2.994 19.974 3.180 1.00 53.23 H new ATOM 1132 N ALA A 72 2.608 12.519 6.064 1.00 54.24 N ATOM 1133 CA ALA A 72 2.225 11.210 5.549 1.00 24.00 C ATOM 1134 C ALA A 72 1.104 11.329 4.522 1.00 23.34 C ATOM 1135 O ALA A 72 0.210 12.168 4.639 1.00 71.05 O ATOM 1136 CB ALA A 72 1.803 10.297 6.691 1.00 2.24 C ATOM 0 H ALA A 72 2.249 12.728 6.996 1.00 54.24 H new ATOM 0 HA ALA A 72 3.092 10.775 5.051 1.00 24.00 H new ATOM 0 HB1 ALA A 72 1.520 9.323 6.292 1.00 2.24 H new ATOM 0 HB2 ALA A 72 2.634 10.177 7.387 1.00 2.24 H new ATOM 0 HB3 ALA A 72 0.953 10.737 7.213 1.00 2.24 H new ATOM 1142 N PRO A 73 1.150 10.471 3.493 1.00 41.43 N ATOM 1143 CA PRO A 73 0.146 10.460 2.425 1.00 2.34 C ATOM 1144 C PRO A 73 -1.210 9.959 2.910 1.00 61.24 C ATOM 1145 O PRO A 73 -2.254 10.479 2.514 1.00 62.52 O ATOM 1146 CB PRO A 73 0.736 9.496 1.393 1.00 11.25 C ATOM 1147 CG PRO A 73 1.630 8.601 2.178 1.00 21.21 C ATOM 1148 CD PRO A 73 2.187 9.445 3.291 1.00 30.35 C ATOM 0 HA PRO A 73 -0.044 11.459 2.034 1.00 2.34 H new ATOM 0 HB2 PRO A 73 -0.046 8.930 0.888 1.00 11.25 H new ATOM 0 HB3 PRO A 73 1.290 10.032 0.622 1.00 11.25 H new ATOM 0 HG2 PRO A 73 1.079 7.748 2.574 1.00 21.21 H new ATOM 0 HG3 PRO A 73 2.429 8.202 1.553 1.00 21.21 H new ATOM 0 HD2 PRO A 73 2.354 8.859 4.195 1.00 30.35 H new ATOM 0 HD3 PRO A 73 3.144 9.889 3.018 1.00 30.35 H new ATOM 1156 N PHE A 74 -1.188 8.945 3.770 1.00 11.30 N ATOM 1157 CA PHE A 74 -2.416 8.372 4.308 1.00 63.13 C ATOM 1158 C PHE A 74 -2.156 7.693 5.649 1.00 11.13 C ATOM 1159 O PHE A 74 -1.041 7.252 5.929 1.00 11.33 O ATOM 1160 CB PHE A 74 -3.010 7.365 3.320 1.00 2.42 C ATOM 1161 CG PHE A 74 -1.987 6.451 2.709 1.00 52.10 C ATOM 1162 CD1 PHE A 74 -1.613 5.282 3.350 1.00 21.10 C ATOM 1163 CD2 PHE A 74 -1.401 6.761 1.493 1.00 10.31 C ATOM 1164 CE1 PHE A 74 -0.673 4.437 2.790 1.00 73.12 C ATOM 1165 CE2 PHE A 74 -0.460 5.920 0.927 1.00 12.51 C ATOM 1166 CZ PHE A 74 -0.095 4.758 1.578 1.00 74.21 C ATOM 0 H PHE A 74 -0.333 8.504 4.109 1.00 11.30 H new ATOM 0 HA PHE A 74 -3.129 9.182 4.462 1.00 63.13 H new ATOM 0 HB2 PHE A 74 -3.762 6.765 3.833 1.00 2.42 H new ATOM 0 HB3 PHE A 74 -3.523 7.907 2.525 1.00 2.42 H new ATOM 0 HD1 PHE A 74 -2.061 5.027 4.299 1.00 21.10 H new ATOM 0 HD2 PHE A 74 -1.682 7.669 0.981 1.00 10.31 H new ATOM 0 HE1 PHE A 74 -0.391 3.527 3.300 1.00 73.12 H new ATOM 0 HE2 PHE A 74 -0.011 6.172 -0.023 1.00 12.51 H new ATOM 0 HZ PHE A 74 0.642 4.101 1.140 1.00 74.21 H new ATOM 1176 N ASP A 75 -3.194 7.613 6.476 1.00 42.21 N ATOM 1177 CA ASP A 75 -3.079 6.987 7.788 1.00 14.31 C ATOM 1178 C ASP A 75 -2.666 5.525 7.659 1.00 52.12 C ATOM 1179 O ASP A 75 -2.449 5.026 6.555 1.00 24.43 O ATOM 1180 CB ASP A 75 -4.406 7.090 8.543 1.00 51.11 C ATOM 1181 CG ASP A 75 -5.548 6.425 7.800 1.00 51.24 C ATOM 1182 OD1 ASP A 75 -6.032 7.011 6.809 1.00 54.10 O ATOM 1183 OD2 ASP A 75 -5.958 5.319 8.209 1.00 62.45 O ATOM 0 H ASP A 75 -4.123 7.974 6.261 1.00 42.21 H new ATOM 0 HA ASP A 75 -2.308 7.515 8.349 1.00 14.31 H new ATOM 0 HB2 ASP A 75 -4.299 6.630 9.525 1.00 51.11 H new ATOM 0 HB3 ASP A 75 -4.646 8.140 8.708 1.00 51.11 H new ATOM 1188 N GLY A 76 -2.557 4.843 8.795 1.00 10.02 N ATOM 1189 CA GLY A 76 -2.168 3.445 8.788 1.00 42.14 C ATOM 1190 C GLY A 76 -0.877 3.198 9.544 1.00 54.22 C ATOM 1191 O GLY A 76 -0.499 3.982 10.415 1.00 42.01 O ATOM 0 H GLY A 76 -2.731 5.234 9.721 1.00 10.02 H new ATOM 0 HA2 GLY A 76 -2.965 2.847 9.231 1.00 42.14 H new ATOM 0 HA3 GLY A 76 -2.052 3.109 7.758 1.00 42.14 H new ATOM 1195 N THR A 77 -0.198 2.105 9.212 1.00 74.34 N ATOM 1196 CA THR A 77 1.055 1.754 9.867 1.00 4.41 C ATOM 1197 C THR A 77 2.252 2.259 9.070 1.00 55.41 C ATOM 1198 O THR A 77 2.246 2.231 7.838 1.00 3.33 O ATOM 1199 CB THR A 77 1.184 0.231 10.056 1.00 33.41 C ATOM 1200 OG1 THR A 77 0.122 -0.251 10.886 1.00 31.51 O ATOM 1201 CG2 THR A 77 2.525 -0.125 10.681 1.00 55.34 C ATOM 0 H THR A 77 -0.496 1.447 8.492 1.00 74.34 H new ATOM 0 HA THR A 77 1.045 2.234 10.846 1.00 4.41 H new ATOM 0 HB THR A 77 1.121 -0.241 9.076 1.00 33.41 H new ATOM 0 HG1 THR A 77 0.210 -1.220 11.000 1.00 31.51 H new ATOM 0 HG21 THR A 77 2.593 -1.206 10.805 1.00 55.34 H new ATOM 0 HG22 THR A 77 3.331 0.218 10.032 1.00 55.34 H new ATOM 0 HG23 THR A 77 2.612 0.358 11.654 1.00 55.34 H new ATOM 1209 N ILE A 78 3.278 2.719 9.778 1.00 11.41 N ATOM 1210 CA ILE A 78 4.483 3.228 9.134 1.00 2.14 C ATOM 1211 C ILE A 78 5.660 2.283 9.347 1.00 60.42 C ATOM 1212 O ILE A 78 5.794 1.669 10.403 1.00 24.14 O ATOM 1213 CB ILE A 78 4.857 4.624 9.667 1.00 41.22 C ATOM 1214 CG1 ILE A 78 6.126 5.133 8.979 1.00 72.33 C ATOM 1215 CG2 ILE A 78 5.047 4.583 11.175 1.00 24.22 C ATOM 1216 CD1 ILE A 78 6.084 6.608 8.646 1.00 75.24 C ATOM 0 H ILE A 78 3.299 2.750 10.797 1.00 11.41 H new ATOM 0 HA ILE A 78 4.266 3.300 8.068 1.00 2.14 H new ATOM 0 HB ILE A 78 4.042 5.312 9.442 1.00 41.22 H new ATOM 0 HG12 ILE A 78 6.982 4.939 9.625 1.00 72.33 H new ATOM 0 HG13 ILE A 78 6.284 4.566 8.061 1.00 72.33 H new ATOM 0 HG21 ILE A 78 5.311 5.577 11.536 1.00 24.22 H new ATOM 0 HG22 ILE A 78 4.121 4.259 11.650 1.00 24.22 H new ATOM 0 HG23 ILE A 78 5.846 3.884 11.422 1.00 24.22 H new ATOM 0 HD11 ILE A 78 7.016 6.898 8.161 1.00 75.24 H new ATOM 0 HD12 ILE A 78 5.248 6.806 7.975 1.00 75.24 H new ATOM 0 HD13 ILE A 78 5.957 7.184 9.562 1.00 75.24 H new ATOM 1228 N GLY A 79 6.513 2.172 8.333 1.00 74.13 N ATOM 1229 CA GLY A 79 7.670 1.301 8.427 1.00 30.31 C ATOM 1230 C GLY A 79 8.848 1.973 9.105 1.00 11.23 C ATOM 1231 O GLY A 79 8.674 2.920 9.872 1.00 75.12 O ATOM 0 H GLY A 79 6.423 2.670 7.448 1.00 74.13 H new ATOM 0 HA2 GLY A 79 7.400 0.402 8.981 1.00 30.31 H new ATOM 0 HA3 GLY A 79 7.964 0.983 7.427 1.00 30.31 H new ATOM 1235 N ASP A 80 10.049 1.482 8.823 1.00 11.30 N ATOM 1236 CA ASP A 80 11.261 2.041 9.411 1.00 61.50 C ATOM 1237 C ASP A 80 11.880 3.087 8.489 1.00 12.13 C ATOM 1238 O ASP A 80 11.660 3.070 7.279 1.00 35.20 O ATOM 1239 CB ASP A 80 12.274 0.931 9.696 1.00 72.24 C ATOM 1240 CG ASP A 80 12.414 -0.036 8.536 1.00 23.43 C ATOM 1241 OD1 ASP A 80 13.268 0.210 7.659 1.00 62.22 O ATOM 1242 OD2 ASP A 80 11.670 -1.038 8.506 1.00 15.13 O ATOM 0 H ASP A 80 10.210 0.698 8.191 1.00 11.30 H new ATOM 0 HA ASP A 80 10.990 2.525 10.349 1.00 61.50 H new ATOM 0 HB2 ASP A 80 13.245 1.376 9.914 1.00 72.24 H new ATOM 0 HB3 ASP A 80 11.968 0.383 10.587 1.00 72.24 H new ATOM 1247 N ALA A 81 12.653 3.998 9.071 1.00 0.34 N ATOM 1248 CA ALA A 81 13.303 5.051 8.302 1.00 2.23 C ATOM 1249 C ALA A 81 14.536 4.521 7.578 1.00 75.41 C ATOM 1250 O ALA A 81 15.017 3.426 7.870 1.00 21.21 O ATOM 1251 CB ALA A 81 13.682 6.212 9.211 1.00 31.15 C ATOM 0 H ALA A 81 12.844 4.028 10.073 1.00 0.34 H new ATOM 0 HA ALA A 81 12.597 5.406 7.551 1.00 2.23 H new ATOM 0 HB1 ALA A 81 14.167 6.991 8.623 1.00 31.15 H new ATOM 0 HB2 ALA A 81 12.784 6.616 9.679 1.00 31.15 H new ATOM 0 HB3 ALA A 81 14.367 5.861 9.983 1.00 31.15 H new ATOM 1257 N LEU A 82 15.043 5.304 6.632 1.00 72.11 N ATOM 1258 CA LEU A 82 16.220 4.912 5.864 1.00 3.55 C ATOM 1259 C LEU A 82 17.344 5.929 6.034 1.00 13.54 C ATOM 1260 O LEU A 82 18.513 5.563 6.161 1.00 54.25 O ATOM 1261 CB LEU A 82 15.863 4.772 4.383 1.00 65.03 C ATOM 1262 CG LEU A 82 15.387 3.389 3.936 1.00 12.01 C ATOM 1263 CD1 LEU A 82 14.588 2.716 5.042 1.00 55.33 C ATOM 1264 CD2 LEU A 82 14.557 3.497 2.665 1.00 31.25 C ATOM 0 H LEU A 82 14.658 6.214 6.378 1.00 72.11 H new ATOM 0 HA LEU A 82 16.566 3.949 6.241 1.00 3.55 H new ATOM 0 HB2 LEU A 82 15.083 5.496 4.148 1.00 65.03 H new ATOM 0 HB3 LEU A 82 16.738 5.042 3.792 1.00 65.03 H new ATOM 0 HG LEU A 82 16.262 2.775 3.724 1.00 12.01 H new ATOM 0 HD11 LEU A 82 14.258 1.733 4.706 1.00 55.33 H new ATOM 0 HD12 LEU A 82 15.214 2.605 5.927 1.00 55.33 H new ATOM 0 HD13 LEU A 82 13.719 3.327 5.286 1.00 55.33 H new ATOM 0 HD21 LEU A 82 14.226 2.504 2.361 1.00 31.25 H new ATOM 0 HD22 LEU A 82 13.688 4.128 2.851 1.00 31.25 H new ATOM 0 HD23 LEU A 82 15.162 3.937 1.872 1.00 31.25 H new ATOM 1276 N VAL A 83 16.982 7.208 6.038 1.00 3.53 N ATOM 1277 CA VAL A 83 17.959 8.279 6.196 1.00 51.04 C ATOM 1278 C VAL A 83 17.940 8.835 7.616 1.00 54.04 C ATOM 1279 O VAL A 83 16.935 8.736 8.318 1.00 13.52 O ATOM 1280 CB VAL A 83 17.700 9.427 5.202 1.00 14.04 C ATOM 1281 CG1 VAL A 83 17.601 8.892 3.782 1.00 32.25 C ATOM 1282 CG2 VAL A 83 16.438 10.186 5.585 1.00 52.33 C ATOM 0 H VAL A 83 16.019 7.528 5.934 1.00 3.53 H new ATOM 0 HA VAL A 83 18.939 7.847 5.992 1.00 51.04 H new ATOM 0 HB VAL A 83 18.541 10.119 5.245 1.00 14.04 H new ATOM 0 HG11 VAL A 83 17.418 9.717 3.094 1.00 32.25 H new ATOM 0 HG12 VAL A 83 18.534 8.397 3.514 1.00 32.25 H new ATOM 0 HG13 VAL A 83 16.780 8.178 3.719 1.00 32.25 H new ATOM 0 HG21 VAL A 83 16.269 10.994 4.873 1.00 52.33 H new ATOM 0 HG22 VAL A 83 15.586 9.506 5.571 1.00 52.33 H new ATOM 0 HG23 VAL A 83 16.554 10.603 6.586 1.00 52.33 H new ATOM 1292 N ASN A 84 19.059 9.421 8.030 1.00 14.43 N ATOM 1293 CA ASN A 84 19.171 9.995 9.367 1.00 14.01 C ATOM 1294 C ASN A 84 19.241 11.517 9.302 1.00 70.12 C ATOM 1295 O ASN A 84 19.184 12.105 8.222 1.00 51.54 O ATOM 1296 CB ASN A 84 20.409 9.445 10.078 1.00 71.01 C ATOM 1297 CG ASN A 84 20.665 7.988 9.747 1.00 24.44 C ATOM 1298 OD1 ASN A 84 20.180 7.089 10.436 1.00 43.43 O ATOM 1299 ND2 ASN A 84 21.432 7.747 8.690 1.00 60.23 N ATOM 0 H ASN A 84 19.900 9.511 7.460 1.00 14.43 H new ATOM 0 HA ASN A 84 18.282 9.715 9.932 1.00 14.01 H new ATOM 0 HB2 ASN A 84 21.280 10.037 9.796 1.00 71.01 H new ATOM 0 HB3 ASN A 84 20.284 9.554 11.155 1.00 71.01 H new ATOM 0 HD21 ASN A 84 21.641 6.786 8.420 1.00 60.23 H new ATOM 0 HD22 ASN A 84 21.812 8.523 8.148 1.00 60.23 H new ATOM 1306 N ILE A 85 19.367 12.148 10.464 1.00 45.31 N ATOM 1307 CA ILE A 85 19.448 13.602 10.538 1.00 31.11 C ATOM 1308 C ILE A 85 20.805 14.103 10.057 1.00 64.11 C ATOM 1309 O ILE A 85 21.800 13.379 10.107 1.00 33.41 O ATOM 1310 CB ILE A 85 19.207 14.107 11.974 1.00 60.53 C ATOM 1311 CG1 ILE A 85 18.013 13.380 12.599 1.00 62.03 C ATOM 1312 CG2 ILE A 85 18.978 15.610 11.975 1.00 0.14 C ATOM 1313 CD1 ILE A 85 16.737 13.517 11.800 1.00 13.40 C ATOM 0 H ILE A 85 19.415 11.676 11.367 1.00 45.31 H new ATOM 0 HA ILE A 85 18.667 13.994 9.887 1.00 31.11 H new ATOM 0 HB ILE A 85 20.093 13.894 12.572 1.00 60.53 H new ATOM 0 HG12 ILE A 85 18.256 12.322 12.703 1.00 62.03 H new ATOM 0 HG13 ILE A 85 17.847 13.769 13.604 1.00 62.03 H new ATOM 0 HG21 ILE A 85 18.809 15.952 12.996 1.00 0.14 H new ATOM 0 HG22 ILE A 85 19.854 16.112 11.565 1.00 0.14 H new ATOM 0 HG23 ILE A 85 18.106 15.846 11.365 1.00 0.14 H new ATOM 0 HD11 ILE A 85 15.934 12.977 12.302 1.00 13.40 H new ATOM 0 HD12 ILE A 85 16.470 14.571 11.718 1.00 13.40 H new ATOM 0 HD13 ILE A 85 16.886 13.102 10.803 1.00 13.40 H new ATOM 1325 N GLY A 86 20.840 15.348 9.592 1.00 71.24 N ATOM 1326 CA GLY A 86 22.081 15.925 9.110 1.00 50.00 C ATOM 1327 C GLY A 86 22.625 15.200 7.894 1.00 22.30 C ATOM 1328 O GLY A 86 23.788 15.371 7.529 1.00 1.34 O ATOM 0 H GLY A 86 20.031 15.967 9.541 1.00 71.24 H new ATOM 0 HA2 GLY A 86 21.918 16.974 8.861 1.00 50.00 H new ATOM 0 HA3 GLY A 86 22.824 15.899 9.907 1.00 50.00 H new ATOM 1332 N ASP A 87 21.782 14.386 7.268 1.00 42.55 N ATOM 1333 CA ASP A 87 22.184 13.632 6.086 1.00 43.33 C ATOM 1334 C ASP A 87 21.566 14.226 4.824 1.00 22.15 C ATOM 1335 O ASP A 87 20.346 14.351 4.718 1.00 33.34 O ATOM 1336 CB ASP A 87 21.775 12.166 6.228 1.00 24.52 C ATOM 1337 CG ASP A 87 22.966 11.228 6.219 1.00 24.15 C ATOM 1338 OD1 ASP A 87 23.573 11.030 7.293 1.00 41.51 O ATOM 1339 OD2 ASP A 87 23.291 10.690 5.140 1.00 12.31 O ATOM 0 H ASP A 87 20.817 14.231 7.559 1.00 42.55 H new ATOM 0 HA ASP A 87 23.269 13.692 5.999 1.00 43.33 H new ATOM 0 HB2 ASP A 87 21.220 12.035 7.157 1.00 24.52 H new ATOM 0 HB3 ASP A 87 21.101 11.900 5.414 1.00 24.52 H new ATOM 1344 N TYR A 88 22.416 14.592 3.871 1.00 11.12 N ATOM 1345 CA TYR A 88 21.953 15.177 2.618 1.00 24.03 C ATOM 1346 C TYR A 88 21.078 14.193 1.848 1.00 30.22 C ATOM 1347 O TYR A 88 21.357 12.994 1.811 1.00 21.23 O ATOM 1348 CB TYR A 88 23.144 15.599 1.758 1.00 44.23 C ATOM 1349 CG TYR A 88 22.751 16.139 0.401 1.00 10.11 C ATOM 1350 CD1 TYR A 88 22.517 15.284 -0.668 1.00 51.12 C ATOM 1351 CD2 TYR A 88 22.612 17.506 0.190 1.00 41.21 C ATOM 1352 CE1 TYR A 88 22.157 15.774 -1.909 1.00 25.23 C ATOM 1353 CE2 TYR A 88 22.252 18.004 -1.047 1.00 71.22 C ATOM 1354 CZ TYR A 88 22.026 17.134 -2.093 1.00 40.41 C ATOM 1355 OH TYR A 88 21.666 17.626 -3.327 1.00 44.44 O ATOM 0 H TYR A 88 23.429 14.494 3.942 1.00 11.12 H new ATOM 0 HA TYR A 88 21.355 16.057 2.856 1.00 24.03 H new ATOM 0 HB2 TYR A 88 23.715 16.360 2.291 1.00 44.23 H new ATOM 0 HB3 TYR A 88 23.804 14.743 1.621 1.00 44.23 H new ATOM 0 HD1 TYR A 88 22.618 14.218 -0.527 1.00 51.12 H new ATOM 0 HD2 TYR A 88 22.788 18.190 1.007 1.00 41.21 H new ATOM 0 HE1 TYR A 88 21.979 15.095 -2.730 1.00 25.23 H new ATOM 0 HE2 TYR A 88 22.148 19.069 -1.194 1.00 71.22 H new ATOM 0 HH TYR A 88 21.617 18.604 -3.288 1.00 44.44 H new ATOM 1365 N VAL A 89 20.018 14.709 1.233 1.00 62.44 N ATOM 1366 CA VAL A 89 19.102 13.876 0.462 1.00 42.44 C ATOM 1367 C VAL A 89 18.607 14.611 -0.778 1.00 74.54 C ATOM 1368 O VAL A 89 18.547 15.841 -0.803 1.00 61.34 O ATOM 1369 CB VAL A 89 17.891 13.442 1.308 1.00 52.54 C ATOM 1370 CG1 VAL A 89 18.273 12.308 2.245 1.00 5.53 C ATOM 1371 CG2 VAL A 89 17.334 14.624 2.086 1.00 54.43 C ATOM 0 H VAL A 89 19.773 15.699 1.254 1.00 62.44 H new ATOM 0 HA VAL A 89 19.658 12.989 0.158 1.00 42.44 H new ATOM 0 HB VAL A 89 17.112 13.079 0.637 1.00 52.54 H new ATOM 0 HG11 VAL A 89 17.404 12.015 2.835 1.00 5.53 H new ATOM 0 HG12 VAL A 89 18.620 11.455 1.662 1.00 5.53 H new ATOM 0 HG13 VAL A 89 19.069 12.639 2.912 1.00 5.53 H new ATOM 0 HG21 VAL A 89 16.479 14.299 2.678 1.00 54.43 H new ATOM 0 HG22 VAL A 89 18.104 15.020 2.748 1.00 54.43 H new ATOM 0 HG23 VAL A 89 17.019 15.402 1.390 1.00 54.43 H new ATOM 1381 N SER A 90 18.250 13.849 -1.808 1.00 4.31 N ATOM 1382 CA SER A 90 17.761 14.427 -3.054 1.00 41.24 C ATOM 1383 C SER A 90 16.262 14.698 -2.977 1.00 22.45 C ATOM 1384 O SER A 90 15.653 14.579 -1.914 1.00 30.34 O ATOM 1385 CB SER A 90 18.063 13.492 -4.228 1.00 14.24 C ATOM 1386 OG SER A 90 18.908 14.120 -5.175 1.00 44.23 O ATOM 0 H SER A 90 18.291 12.830 -1.804 1.00 4.31 H new ATOM 0 HA SER A 90 18.275 15.375 -3.212 1.00 41.24 H new ATOM 0 HB2 SER A 90 18.537 12.582 -3.860 1.00 14.24 H new ATOM 0 HB3 SER A 90 17.131 13.194 -4.709 1.00 14.24 H new ATOM 0 HG SER A 90 19.087 13.502 -5.914 1.00 44.23 H new ATOM 1392 N ALA A 91 15.673 15.061 -4.111 1.00 0.32 N ATOM 1393 CA ALA A 91 14.245 15.346 -4.173 1.00 51.40 C ATOM 1394 C ALA A 91 13.424 14.137 -3.738 1.00 10.41 C ATOM 1395 O ALA A 91 13.887 13.312 -2.952 1.00 62.52 O ATOM 1396 CB ALA A 91 13.853 15.776 -5.580 1.00 25.32 C ATOM 0 H ALA A 91 16.163 15.165 -5.000 1.00 0.32 H new ATOM 0 HA ALA A 91 14.032 16.163 -3.483 1.00 51.40 H new ATOM 0 HB1 ALA A 91 12.784 15.986 -5.612 1.00 25.32 H new ATOM 0 HB2 ALA A 91 14.407 16.674 -5.854 1.00 25.32 H new ATOM 0 HB3 ALA A 91 14.087 14.977 -6.283 1.00 25.32 H new ATOM 1402 N SER A 92 12.203 14.041 -4.255 1.00 31.23 N ATOM 1403 CA SER A 92 11.315 12.934 -3.916 1.00 64.22 C ATOM 1404 C SER A 92 12.024 11.594 -4.094 1.00 4.53 C ATOM 1405 O SER A 92 11.631 10.587 -3.506 1.00 42.13 O ATOM 1406 CB SER A 92 10.058 12.977 -4.785 1.00 31.24 C ATOM 1407 OG SER A 92 9.229 11.854 -4.539 1.00 24.22 O ATOM 0 H SER A 92 11.806 14.715 -4.909 1.00 31.23 H new ATOM 0 HA SER A 92 11.029 13.038 -2.869 1.00 64.22 H new ATOM 0 HB2 SER A 92 9.504 13.893 -4.583 1.00 31.24 H new ATOM 0 HB3 SER A 92 10.340 13.001 -5.838 1.00 31.24 H new ATOM 0 HG SER A 92 8.431 11.906 -5.106 1.00 24.22 H new ATOM 1413 N THR A 93 13.074 11.592 -4.909 1.00 74.54 N ATOM 1414 CA THR A 93 13.838 10.378 -5.168 1.00 45.43 C ATOM 1415 C THR A 93 14.386 9.788 -3.873 1.00 51.21 C ATOM 1416 O THR A 93 14.608 8.581 -3.773 1.00 74.54 O ATOM 1417 CB THR A 93 15.009 10.646 -6.133 1.00 24.53 C ATOM 1418 OG1 THR A 93 14.520 11.222 -7.349 1.00 63.41 O ATOM 1419 CG2 THR A 93 15.761 9.360 -6.440 1.00 62.12 C ATOM 0 H THR A 93 13.415 12.418 -5.401 1.00 74.54 H new ATOM 0 HA THR A 93 13.154 9.665 -5.629 1.00 45.43 H new ATOM 0 HB THR A 93 15.695 11.343 -5.653 1.00 24.53 H new ATOM 0 HG1 THR A 93 15.271 11.391 -7.956 1.00 63.41 H new ATOM 0 HG21 THR A 93 16.583 9.573 -7.123 1.00 62.12 H new ATOM 0 HG22 THR A 93 16.157 8.941 -5.515 1.00 62.12 H new ATOM 0 HG23 THR A 93 15.082 8.643 -6.902 1.00 62.12 H new ATOM 1427 N THR A 94 14.603 10.647 -2.881 1.00 74.14 N ATOM 1428 CA THR A 94 15.124 10.210 -1.593 1.00 64.43 C ATOM 1429 C THR A 94 14.051 9.501 -0.776 1.00 55.04 C ATOM 1430 O THR A 94 13.137 10.137 -0.250 1.00 65.10 O ATOM 1431 CB THR A 94 15.673 11.396 -0.778 1.00 5.12 C ATOM 1432 OG1 THR A 94 16.442 10.915 0.331 1.00 54.12 O ATOM 1433 CG2 THR A 94 14.540 12.276 -0.273 1.00 24.41 C ATOM 0 H THR A 94 14.426 11.649 -2.946 1.00 74.14 H new ATOM 0 HA THR A 94 15.936 9.514 -1.801 1.00 64.43 H new ATOM 0 HB THR A 94 16.311 11.992 -1.430 1.00 5.12 H new ATOM 0 HG1 THR A 94 17.337 10.660 0.023 1.00 54.12 H new ATOM 0 HG21 THR A 94 14.952 13.107 0.300 1.00 24.41 H new ATOM 0 HG22 THR A 94 13.975 12.664 -1.121 1.00 24.41 H new ATOM 0 HG23 THR A 94 13.879 11.688 0.364 1.00 24.41 H new ATOM 1441 N GLU A 95 14.166 8.181 -0.674 1.00 73.44 N ATOM 1442 CA GLU A 95 13.203 7.385 0.079 1.00 10.43 C ATOM 1443 C GLU A 95 13.646 7.228 1.531 1.00 10.23 C ATOM 1444 O GLU A 95 14.732 6.717 1.809 1.00 32.14 O ATOM 1445 CB GLU A 95 13.030 6.009 -0.565 1.00 31.13 C ATOM 1446 CG GLU A 95 14.339 5.367 -0.992 1.00 63.32 C ATOM 1447 CD GLU A 95 14.307 3.854 -0.895 1.00 15.25 C ATOM 1448 OE1 GLU A 95 13.350 3.247 -1.422 1.00 12.23 O ATOM 1449 OE2 GLU A 95 15.235 3.277 -0.293 1.00 4.13 O ATOM 0 H GLU A 95 14.916 7.640 -1.103 1.00 73.44 H new ATOM 0 HA GLU A 95 12.246 7.907 0.063 1.00 10.43 H new ATOM 0 HB2 GLU A 95 12.524 5.349 0.139 1.00 31.13 H new ATOM 0 HB3 GLU A 95 12.381 6.104 -1.435 1.00 31.13 H new ATOM 0 HG2 GLU A 95 14.563 5.657 -2.019 1.00 63.32 H new ATOM 0 HG3 GLU A 95 15.147 5.750 -0.369 1.00 63.32 H new ATOM 1456 N LEU A 96 12.798 7.671 2.453 1.00 34.52 N ATOM 1457 CA LEU A 96 13.100 7.580 3.878 1.00 44.05 C ATOM 1458 C LEU A 96 12.341 6.425 4.523 1.00 35.25 C ATOM 1459 O LEU A 96 12.938 5.442 4.960 1.00 43.13 O ATOM 1460 CB LEU A 96 12.748 8.893 4.579 1.00 70.35 C ATOM 1461 CG LEU A 96 13.015 10.171 3.784 1.00 51.44 C ATOM 1462 CD1 LEU A 96 14.366 10.094 3.087 1.00 15.13 C ATOM 1463 CD2 LEU A 96 11.904 10.412 2.772 1.00 42.22 C ATOM 0 H LEU A 96 11.896 8.097 2.240 1.00 34.52 H new ATOM 0 HA LEU A 96 14.168 7.393 3.987 1.00 44.05 H new ATOM 0 HB2 LEU A 96 11.691 8.868 4.844 1.00 70.35 H new ATOM 0 HB3 LEU A 96 13.309 8.945 5.512 1.00 70.35 H new ATOM 0 HG LEU A 96 13.035 11.011 4.479 1.00 51.44 H new ATOM 0 HD11 LEU A 96 14.539 11.012 2.526 1.00 15.13 H new ATOM 0 HD12 LEU A 96 15.153 9.970 3.831 1.00 15.13 H new ATOM 0 HD13 LEU A 96 14.375 9.245 2.404 1.00 15.13 H new ATOM 0 HD21 LEU A 96 12.111 11.326 2.215 1.00 42.22 H new ATOM 0 HD22 LEU A 96 11.852 9.570 2.081 1.00 42.22 H new ATOM 0 HD23 LEU A 96 10.952 10.513 3.294 1.00 42.22 H new ATOM 1475 N VAL A 97 11.018 6.551 4.578 1.00 50.51 N ATOM 1476 CA VAL A 97 10.176 5.517 5.167 1.00 4.32 C ATOM 1477 C VAL A 97 8.963 5.231 4.289 1.00 31.02 C ATOM 1478 O VAL A 97 8.540 6.077 3.502 1.00 41.33 O ATOM 1479 CB VAL A 97 9.695 5.919 6.574 1.00 52.15 C ATOM 1480 CG1 VAL A 97 8.575 6.945 6.483 1.00 62.12 C ATOM 1481 CG2 VAL A 97 9.244 4.692 7.353 1.00 52.13 C ATOM 0 H VAL A 97 10.507 7.359 4.222 1.00 50.51 H new ATOM 0 HA VAL A 97 10.786 4.617 5.244 1.00 4.32 H new ATOM 0 HB VAL A 97 10.529 6.374 7.108 1.00 52.15 H new ATOM 0 HG11 VAL A 97 8.248 7.217 7.487 1.00 62.12 H new ATOM 0 HG12 VAL A 97 8.937 7.834 5.966 1.00 62.12 H new ATOM 0 HG13 VAL A 97 7.737 6.520 5.931 1.00 62.12 H new ATOM 0 HG21 VAL A 97 8.907 4.994 8.345 1.00 52.13 H new ATOM 0 HG22 VAL A 97 8.424 4.206 6.824 1.00 52.13 H new ATOM 0 HG23 VAL A 97 10.077 3.996 7.449 1.00 52.13 H new ATOM 1491 N ARG A 98 8.406 4.033 4.432 1.00 40.04 N ATOM 1492 CA ARG A 98 7.240 3.634 3.651 1.00 43.10 C ATOM 1493 C ARG A 98 6.051 3.342 4.560 1.00 24.43 C ATOM 1494 O ARG A 98 6.220 2.914 5.703 1.00 32.13 O ATOM 1495 CB ARG A 98 7.564 2.402 2.805 1.00 63.25 C ATOM 1496 CG ARG A 98 7.688 1.122 3.614 1.00 22.01 C ATOM 1497 CD ARG A 98 9.045 1.021 4.293 1.00 10.12 C ATOM 1498 NE ARG A 98 9.596 -0.330 4.219 1.00 32.02 N ATOM 1499 CZ ARG A 98 10.805 -0.656 4.662 1.00 74.02 C ATOM 1500 NH1 ARG A 98 11.586 0.265 5.208 1.00 54.50 N ATOM 1501 NH2 ARG A 98 11.235 -1.907 4.560 1.00 52.14 N ATOM 0 H ARG A 98 8.743 3.322 5.081 1.00 40.04 H new ATOM 0 HA ARG A 98 6.976 4.460 2.991 1.00 43.10 H new ATOM 0 HB2 ARG A 98 6.785 2.273 2.054 1.00 63.25 H new ATOM 0 HB3 ARG A 98 8.497 2.575 2.269 1.00 63.25 H new ATOM 0 HG2 ARG A 98 6.900 1.088 4.366 1.00 22.01 H new ATOM 0 HG3 ARG A 98 7.542 0.262 2.961 1.00 22.01 H new ATOM 0 HD2 ARG A 98 9.737 1.721 3.825 1.00 10.12 H new ATOM 0 HD3 ARG A 98 8.950 1.317 5.338 1.00 10.12 H new ATOM 0 HE ARG A 98 9.021 -1.063 3.804 1.00 32.02 H new ATOM 0 HH11 ARG A 98 11.259 1.228 5.289 1.00 54.50 H new ATOM 0 HH12 ARG A 98 12.514 0.011 5.547 1.00 54.50 H new ATOM 0 HH21 ARG A 98 10.637 -2.619 4.141 1.00 52.14 H new ATOM 0 HH22 ARG A 98 12.164 -2.156 4.900 1.00 52.14 H new ATOM 1515 N VAL A 99 4.847 3.575 4.046 1.00 43.51 N ATOM 1516 CA VAL A 99 3.629 3.336 4.811 1.00 4.41 C ATOM 1517 C VAL A 99 2.890 2.107 4.297 1.00 33.40 C ATOM 1518 O VAL A 99 2.679 1.953 3.093 1.00 11.12 O ATOM 1519 CB VAL A 99 2.685 4.551 4.756 1.00 3.35 C ATOM 1520 CG1 VAL A 99 1.358 4.226 5.426 1.00 3.21 C ATOM 1521 CG2 VAL A 99 3.337 5.762 5.406 1.00 53.41 C ATOM 0 H VAL A 99 4.689 3.929 3.103 1.00 43.51 H new ATOM 0 HA VAL A 99 3.932 3.168 5.845 1.00 4.41 H new ATOM 0 HB VAL A 99 2.489 4.790 3.711 1.00 3.35 H new ATOM 0 HG11 VAL A 99 0.703 5.096 5.378 1.00 3.21 H new ATOM 0 HG12 VAL A 99 0.887 3.388 4.912 1.00 3.21 H new ATOM 0 HG13 VAL A 99 1.532 3.960 6.469 1.00 3.21 H new ATOM 0 HG21 VAL A 99 2.656 6.612 5.358 1.00 53.41 H new ATOM 0 HG22 VAL A 99 3.564 5.537 6.448 1.00 53.41 H new ATOM 0 HG23 VAL A 99 4.259 6.006 4.878 1.00 53.41 H new ATOM 1531 N THR A 100 2.497 1.231 5.217 1.00 11.45 N ATOM 1532 CA THR A 100 1.780 0.014 4.857 1.00 30.12 C ATOM 1533 C THR A 100 0.602 -0.228 5.793 1.00 14.12 C ATOM 1534 O THR A 100 0.566 0.289 6.908 1.00 22.00 O ATOM 1535 CB THR A 100 2.708 -1.215 4.892 1.00 43.33 C ATOM 1536 OG1 THR A 100 2.044 -2.347 4.317 1.00 4.43 O ATOM 1537 CG2 THR A 100 3.127 -1.536 6.318 1.00 30.31 C ATOM 0 H THR A 100 2.663 1.342 6.217 1.00 11.45 H new ATOM 0 HA THR A 100 1.411 0.154 3.841 1.00 30.12 H new ATOM 0 HB THR A 100 3.601 -0.985 4.311 1.00 43.33 H new ATOM 0 HG1 THR A 100 2.641 -3.124 4.341 1.00 4.43 H new ATOM 0 HG21 THR A 100 3.782 -2.407 6.317 1.00 30.31 H new ATOM 0 HG22 THR A 100 3.658 -0.684 6.742 1.00 30.31 H new ATOM 0 HG23 THR A 100 2.242 -1.747 6.918 1.00 30.31 H new ATOM 1545 N ASN A 101 -0.363 -1.016 5.330 1.00 24.34 N ATOM 1546 CA ASN A 101 -1.544 -1.326 6.127 1.00 35.13 C ATOM 1547 C ASN A 101 -2.379 -0.072 6.373 1.00 62.21 C ATOM 1548 O ASN A 101 -1.938 0.857 7.050 1.00 2.02 O ATOM 1549 CB ASN A 101 -1.136 -1.950 7.462 1.00 20.40 C ATOM 1550 CG ASN A 101 -1.654 -3.366 7.622 1.00 74.35 C ATOM 1551 OD1 ASN A 101 -0.883 -4.300 7.852 1.00 55.31 O ATOM 1552 ND2 ASN A 101 -2.966 -3.535 7.498 1.00 1.42 N ATOM 0 H ASN A 101 -0.350 -1.451 4.408 1.00 24.34 H new ATOM 0 HA ASN A 101 -2.149 -2.041 5.570 1.00 35.13 H new ATOM 0 HB2 ASN A 101 -0.049 -1.953 7.541 1.00 20.40 H new ATOM 0 HB3 ASN A 101 -1.513 -1.334 8.278 1.00 20.40 H new ATOM 0 HD21 ASN A 101 -3.372 -4.466 7.593 1.00 1.42 H new ATOM 0 HD22 ASN A 101 -3.568 -2.734 7.308 1.00 1.42 H new ATOM 1559 N LEU A 102 -3.586 -0.054 5.819 1.00 14.03 N ATOM 1560 CA LEU A 102 -4.484 1.085 5.979 1.00 21.33 C ATOM 1561 C LEU A 102 -5.923 0.621 6.179 1.00 22.01 C ATOM 1562 O LEU A 102 -6.553 0.939 7.187 1.00 73.44 O ATOM 1563 CB LEU A 102 -4.397 2.003 4.758 1.00 32.45 C ATOM 1564 CG LEU A 102 -3.606 1.462 3.566 1.00 21.52 C ATOM 1565 CD1 LEU A 102 -4.032 2.156 2.283 1.00 11.52 C ATOM 1566 CD2 LEU A 102 -2.112 1.633 3.797 1.00 43.00 C ATOM 0 H LEU A 102 -3.966 -0.815 5.255 1.00 14.03 H new ATOM 0 HA LEU A 102 -4.174 1.638 6.865 1.00 21.33 H new ATOM 0 HB2 LEU A 102 -5.410 2.227 4.424 1.00 32.45 H new ATOM 0 HB3 LEU A 102 -3.947 2.946 5.069 1.00 32.45 H new ATOM 0 HG LEU A 102 -3.819 0.398 3.466 1.00 21.52 H new ATOM 0 HD11 LEU A 102 -3.458 1.758 1.446 1.00 11.52 H new ATOM 0 HD12 LEU A 102 -5.094 1.982 2.110 1.00 11.52 H new ATOM 0 HD13 LEU A 102 -3.850 3.227 2.371 1.00 11.52 H new ATOM 0 HD21 LEU A 102 -1.564 1.243 2.939 1.00 43.00 H new ATOM 0 HD22 LEU A 102 -1.882 2.691 3.924 1.00 43.00 H new ATOM 0 HD23 LEU A 102 -1.818 1.088 4.694 1.00 43.00 H new ATOM 1578 N ASN A 103 -6.435 -0.135 5.214 1.00 22.11 N ATOM 1579 CA ASN A 103 -7.800 -0.645 5.285 1.00 21.24 C ATOM 1580 C ASN A 103 -7.808 -2.130 5.633 1.00 64.11 C ATOM 1581 O ASN A 103 -6.849 -2.859 5.376 1.00 14.02 O ATOM 1582 CB ASN A 103 -8.521 -0.418 3.956 1.00 53.05 C ATOM 1583 CG ASN A 103 -8.102 0.875 3.283 1.00 44.02 C ATOM 1584 OD1 ASN A 103 -7.033 0.953 2.676 1.00 2.41 O ATOM 1585 ND2 ASN A 103 -8.943 1.897 3.388 1.00 20.41 N ATOM 0 H ASN A 103 -5.926 -0.408 4.373 1.00 22.11 H new ATOM 0 HA ASN A 103 -8.324 -0.102 6.072 1.00 21.24 H new ATOM 0 HB2 ASN A 103 -8.317 -1.255 3.288 1.00 53.05 H new ATOM 0 HB3 ASN A 103 -9.597 -0.403 4.128 1.00 53.05 H new ATOM 0 HD21 ASN A 103 -8.714 2.792 2.956 1.00 20.41 H new ATOM 0 HD22 ASN A 103 -9.818 1.787 3.901 1.00 20.41 H new ATOM 1592 N PRO A 104 -8.915 -2.592 6.232 1.00 52.10 N ATOM 1593 CA PRO A 104 -9.076 -3.994 6.628 1.00 50.02 C ATOM 1594 C PRO A 104 -9.221 -4.923 5.426 1.00 4.25 C ATOM 1595 O PRO A 104 -10.323 -5.123 4.915 1.00 42.22 O ATOM 1596 CB PRO A 104 -10.364 -3.985 7.454 1.00 14.34 C ATOM 1597 CG PRO A 104 -11.127 -2.806 6.954 1.00 62.24 C ATOM 1598 CD PRO A 104 -10.097 -1.780 6.569 1.00 52.13 C ATOM 0 HA PRO A 104 -8.208 -4.365 7.172 1.00 50.02 H new ATOM 0 HB2 PRO A 104 -10.928 -4.908 7.318 1.00 14.34 H new ATOM 0 HB3 PRO A 104 -10.151 -3.896 8.519 1.00 14.34 H new ATOM 0 HG2 PRO A 104 -11.747 -3.076 6.099 1.00 62.24 H new ATOM 0 HG3 PRO A 104 -11.795 -2.419 7.723 1.00 62.24 H new ATOM 0 HD2 PRO A 104 -10.426 -1.179 5.722 1.00 52.13 H new ATOM 0 HD3 PRO A 104 -9.891 -1.091 7.388 1.00 52.13 H new ATOM 1606 N ILE A 105 -8.103 -5.486 4.983 1.00 42.15 N ATOM 1607 CA ILE A 105 -8.107 -6.395 3.842 1.00 2.32 C ATOM 1608 C ILE A 105 -8.352 -7.832 4.287 1.00 73.53 C ATOM 1609 O ILE A 105 -8.003 -8.217 5.403 1.00 40.12 O ATOM 1610 CB ILE A 105 -6.777 -6.329 3.066 1.00 34.24 C ATOM 1611 CG1 ILE A 105 -6.392 -4.873 2.796 1.00 72.05 C ATOM 1612 CG2 ILE A 105 -6.888 -7.104 1.762 1.00 32.24 C ATOM 1613 CD1 ILE A 105 -7.444 -4.101 2.031 1.00 62.02 C ATOM 0 H ILE A 105 -7.183 -5.330 5.395 1.00 42.15 H new ATOM 0 HA ILE A 105 -8.917 -6.077 3.186 1.00 2.32 H new ATOM 0 HB ILE A 105 -5.995 -6.785 3.672 1.00 34.24 H new ATOM 0 HG12 ILE A 105 -6.206 -4.373 3.746 1.00 72.05 H new ATOM 0 HG13 ILE A 105 -5.457 -4.851 2.235 1.00 72.05 H new ATOM 0 HG21 ILE A 105 -5.941 -7.049 1.224 1.00 32.24 H new ATOM 0 HG22 ILE A 105 -7.123 -8.146 1.977 1.00 32.24 H new ATOM 0 HG23 ILE A 105 -7.679 -6.673 1.149 1.00 32.24 H new ATOM 0 HD11 ILE A 105 -7.103 -3.077 1.876 1.00 62.02 H new ATOM 0 HD12 ILE A 105 -7.614 -4.577 1.065 1.00 62.02 H new ATOM 0 HD13 ILE A 105 -8.374 -4.092 2.600 1.00 62.02 H new ATOM 1625 N TYR A 106 -8.953 -8.624 3.405 1.00 54.32 N ATOM 1626 CA TYR A 106 -9.246 -10.019 3.705 1.00 61.31 C ATOM 1627 C TYR A 106 -9.317 -10.849 2.425 1.00 25.14 C ATOM 1628 O TYR A 106 -10.376 -11.358 2.061 1.00 41.31 O ATOM 1629 CB TYR A 106 -10.564 -10.132 4.473 1.00 73.55 C ATOM 1630 CG TYR A 106 -11.647 -9.213 3.953 1.00 32.43 C ATOM 1631 CD1 TYR A 106 -11.756 -7.906 4.412 1.00 42.43 C ATOM 1632 CD2 TYR A 106 -12.562 -9.652 3.004 1.00 64.50 C ATOM 1633 CE1 TYR A 106 -12.744 -7.063 3.941 1.00 20.32 C ATOM 1634 CE2 TYR A 106 -13.553 -8.816 2.526 1.00 22.30 C ATOM 1635 CZ TYR A 106 -13.639 -7.523 2.998 1.00 34.34 C ATOM 1636 OH TYR A 106 -14.625 -6.686 2.527 1.00 54.22 O ATOM 0 H TYR A 106 -9.247 -8.322 2.476 1.00 54.32 H new ATOM 0 HA TYR A 106 -8.438 -10.408 4.324 1.00 61.31 H new ATOM 0 HB2 TYR A 106 -10.917 -11.162 4.422 1.00 73.55 H new ATOM 0 HB3 TYR A 106 -10.383 -9.908 5.524 1.00 73.55 H new ATOM 0 HD1 TYR A 106 -11.056 -7.543 5.150 1.00 42.43 H new ATOM 0 HD2 TYR A 106 -12.498 -10.664 2.633 1.00 64.50 H new ATOM 0 HE1 TYR A 106 -12.815 -6.050 4.309 1.00 20.32 H new ATOM 0 HE2 TYR A 106 -14.256 -9.173 1.788 1.00 22.30 H new ATOM 0 HH TYR A 106 -15.171 -7.163 1.867 1.00 54.22 H new ATOM 1646 N ALA A 107 -8.180 -10.980 1.751 1.00 74.04 N ATOM 1647 CA ALA A 107 -8.110 -11.749 0.514 1.00 35.44 C ATOM 1648 C ALA A 107 -6.679 -12.179 0.215 1.00 62.25 C ATOM 1649 O ALA A 107 -6.333 -13.353 0.345 1.00 20.30 O ATOM 1650 CB ALA A 107 -8.674 -10.939 -0.644 1.00 43.34 C ATOM 0 H ALA A 107 -7.295 -10.564 2.040 1.00 74.04 H new ATOM 0 HA ALA A 107 -8.712 -12.649 0.640 1.00 35.44 H new ATOM 0 HB1 ALA A 107 -8.615 -11.525 -1.561 1.00 43.34 H new ATOM 0 HB2 ALA A 107 -9.715 -10.688 -0.440 1.00 43.34 H new ATOM 0 HB3 ALA A 107 -8.096 -10.022 -0.762 1.00 43.34 H new ATOM 1656 N ASP A 108 -5.850 -11.222 -0.187 1.00 51.20 N ATOM 1657 CA ASP A 108 -4.455 -11.502 -0.505 1.00 42.35 C ATOM 1658 C ASP A 108 -4.345 -12.630 -1.526 1.00 34.25 C ATOM 1659 O ASP A 108 -4.264 -13.803 -1.162 1.00 73.23 O ATOM 1660 CB ASP A 108 -3.684 -11.869 0.763 1.00 3.04 C ATOM 1661 CG ASP A 108 -2.183 -11.766 0.580 1.00 1.32 C ATOM 1662 OD1 ASP A 108 -1.679 -10.631 0.446 1.00 43.01 O ATOM 1663 OD2 ASP A 108 -1.513 -12.819 0.569 1.00 64.21 O ATOM 0 H ASP A 108 -6.120 -10.245 -0.300 1.00 51.20 H new ATOM 0 HA ASP A 108 -4.020 -10.601 -0.938 1.00 42.35 H new ATOM 0 HB2 ASP A 108 -3.994 -11.212 1.576 1.00 3.04 H new ATOM 0 HB3 ASP A 108 -3.942 -12.886 1.060 1.00 3.04 H new ATOM 1668 N GLY A 109 -4.346 -12.268 -2.805 1.00 53.31 N ATOM 1669 CA GLY A 109 -4.247 -13.261 -3.858 1.00 35.21 C ATOM 1670 C GLY A 109 -3.606 -12.711 -5.116 1.00 65.03 C ATOM 1671 O GLY A 109 -4.262 -12.574 -6.148 1.00 14.44 O ATOM 0 H GLY A 109 -4.414 -11.304 -3.131 1.00 53.31 H new ATOM 0 HA2 GLY A 109 -3.665 -14.110 -3.499 1.00 35.21 H new ATOM 0 HA3 GLY A 109 -5.243 -13.635 -4.095 1.00 35.21 H new ATOM 1675 N SER A 110 -2.317 -12.394 -5.031 1.00 74.11 N ATOM 1676 CA SER A 110 -1.588 -11.850 -6.170 1.00 44.25 C ATOM 1677 C SER A 110 -1.088 -12.969 -7.079 1.00 45.04 C ATOM 1678 O SER A 110 -1.384 -12.993 -8.274 1.00 13.12 O ATOM 1679 CB SER A 110 -0.407 -11.003 -5.690 1.00 31.14 C ATOM 1680 OG SER A 110 -0.781 -9.643 -5.546 1.00 33.21 O ATOM 0 H SER A 110 -1.757 -12.505 -4.186 1.00 74.11 H new ATOM 0 HA SER A 110 -2.271 -11.219 -6.739 1.00 44.25 H new ATOM 0 HB2 SER A 110 -0.044 -11.387 -4.737 1.00 31.14 H new ATOM 0 HB3 SER A 110 0.416 -11.084 -6.401 1.00 31.14 H new ATOM 0 HG SER A 110 -0.010 -9.123 -5.237 1.00 33.21 H new ATOM 1686 N HIS A 111 -0.326 -13.895 -6.504 1.00 12.53 N ATOM 1687 CA HIS A 111 0.215 -15.018 -7.261 1.00 1.20 C ATOM 1688 C HIS A 111 1.281 -14.545 -8.245 1.00 20.41 C ATOM 1689 O HIS A 111 2.477 -14.731 -8.018 1.00 2.13 O ATOM 1690 CB HIS A 111 -0.904 -15.742 -8.011 1.00 4.10 C ATOM 1691 CG HIS A 111 -1.135 -17.142 -7.533 1.00 30.55 C ATOM 1692 ND1 HIS A 111 -1.435 -17.450 -6.223 1.00 23.43 N ATOM 1693 CD2 HIS A 111 -1.113 -18.320 -8.200 1.00 63.21 C ATOM 1694 CE1 HIS A 111 -1.584 -18.758 -6.104 1.00 31.41 C ATOM 1695 NE2 HIS A 111 -1.395 -19.309 -7.290 1.00 3.04 N ATOM 0 H HIS A 111 -0.070 -13.889 -5.517 1.00 12.53 H new ATOM 0 HA HIS A 111 0.676 -15.711 -6.557 1.00 1.20 H new ATOM 0 HB2 HIS A 111 -1.828 -15.174 -7.906 1.00 4.10 H new ATOM 0 HB3 HIS A 111 -0.663 -15.765 -9.074 1.00 4.10 H new ATOM 0 HD2 HIS A 111 -0.911 -18.456 -9.252 1.00 63.21 H new ATOM 0 HE1 HIS A 111 -1.820 -19.287 -5.192 1.00 31.41 H new ATOM 0 HE2 HIS A 111 -1.450 -20.306 -7.496 1.00 3.04 H new ATOM 1703 N HIS A 112 0.839 -13.936 -9.341 1.00 1.42 N ATOM 1704 CA HIS A 112 1.755 -13.437 -10.360 1.00 22.10 C ATOM 1705 C HIS A 112 2.837 -14.468 -10.670 1.00 31.50 C ATOM 1706 O HIS A 112 2.716 -15.638 -10.305 1.00 63.51 O ATOM 1707 CB HIS A 112 2.399 -12.128 -9.901 1.00 64.13 C ATOM 1708 CG HIS A 112 3.371 -12.300 -8.776 1.00 23.33 C ATOM 1709 ND1 HIS A 112 3.041 -12.077 -7.456 1.00 25.31 N ATOM 1710 CD2 HIS A 112 4.671 -12.680 -8.778 1.00 30.23 C ATOM 1711 CE1 HIS A 112 4.096 -12.309 -6.695 1.00 12.22 C ATOM 1712 NE2 HIS A 112 5.098 -12.677 -7.473 1.00 22.34 N ATOM 0 H HIS A 112 -0.147 -13.776 -9.546 1.00 1.42 H new ATOM 0 HA HIS A 112 1.182 -13.252 -11.269 1.00 22.10 H new ATOM 0 HB2 HIS A 112 2.912 -11.669 -10.746 1.00 64.13 H new ATOM 0 HB3 HIS A 112 1.615 -11.437 -9.591 1.00 64.13 H new ATOM 0 HD2 HIS A 112 5.262 -12.937 -9.645 1.00 30.23 H new ATOM 0 HE1 HIS A 112 4.133 -12.214 -5.620 1.00 12.22 H new ATOM 0 HE2 HIS A 112 6.037 -12.920 -7.156 1.00 22.34 H new ATOM 1720 N HIS A 113 3.893 -14.026 -11.345 1.00 65.31 N ATOM 1721 CA HIS A 113 4.996 -14.911 -11.704 1.00 31.44 C ATOM 1722 C HIS A 113 5.829 -15.265 -10.476 1.00 62.13 C ATOM 1723 O HIS A 113 6.818 -14.597 -10.171 1.00 64.13 O ATOM 1724 CB HIS A 113 5.880 -14.253 -12.764 1.00 60.33 C ATOM 1725 CG HIS A 113 5.441 -14.534 -14.168 1.00 65.10 C ATOM 1726 ND1 HIS A 113 5.491 -15.791 -14.735 1.00 13.31 N ATOM 1727 CD2 HIS A 113 4.941 -13.712 -15.120 1.00 42.13 C ATOM 1728 CE1 HIS A 113 5.042 -15.729 -15.976 1.00 44.44 C ATOM 1729 NE2 HIS A 113 4.702 -14.479 -16.234 1.00 13.32 N ATOM 0 H HIS A 113 4.009 -13.061 -11.654 1.00 65.31 H new ATOM 0 HA HIS A 113 4.576 -15.830 -12.113 1.00 31.44 H new ATOM 0 HB2 HIS A 113 5.886 -13.175 -12.603 1.00 60.33 H new ATOM 0 HB3 HIS A 113 6.905 -14.600 -12.636 1.00 60.33 H new ATOM 0 HD2 HIS A 113 4.763 -12.651 -15.022 1.00 42.13 H new ATOM 0 HE1 HIS A 113 4.966 -16.559 -16.663 1.00 44.44 H new ATOM 0 HE2 HIS A 113 4.323 -14.138 -17.118 1.00 13.32 H new ATOM 1737 N HIS A 114 5.425 -16.319 -9.775 1.00 73.23 N ATOM 1738 CA HIS A 114 6.135 -16.763 -8.581 1.00 12.12 C ATOM 1739 C HIS A 114 7.384 -17.555 -8.954 1.00 1.23 C ATOM 1740 O HIS A 114 8.373 -17.555 -8.221 1.00 44.40 O ATOM 1741 CB HIS A 114 5.218 -17.616 -7.704 1.00 1.21 C ATOM 1742 CG HIS A 114 5.839 -18.017 -6.401 1.00 70.23 C ATOM 1743 ND1 HIS A 114 5.865 -17.195 -5.294 1.00 73.50 N ATOM 1744 CD2 HIS A 114 6.458 -19.162 -6.032 1.00 62.44 C ATOM 1745 CE1 HIS A 114 6.474 -17.817 -4.301 1.00 60.31 C ATOM 1746 NE2 HIS A 114 6.844 -19.014 -4.723 1.00 41.50 N ATOM 0 H HIS A 114 4.609 -16.882 -10.013 1.00 73.23 H new ATOM 0 HA HIS A 114 6.441 -15.879 -8.021 1.00 12.12 H new ATOM 0 HB2 HIS A 114 4.301 -17.062 -7.505 1.00 1.21 H new ATOM 0 HB3 HIS A 114 4.935 -18.514 -8.254 1.00 1.21 H new ATOM 0 HD2 HIS A 114 6.619 -20.031 -6.652 1.00 62.44 H new ATOM 0 HE1 HIS A 114 6.641 -17.416 -3.312 1.00 60.31 H new ATOM 0 HE2 HIS A 114 7.336 -19.713 -4.167 1.00 41.50 H new ATOM 1754 N HIS A 115 7.331 -18.231 -10.097 1.00 14.11 N ATOM 1755 CA HIS A 115 8.458 -19.029 -10.567 1.00 13.13 C ATOM 1756 C HIS A 115 8.413 -19.192 -12.083 1.00 74.23 C ATOM 1757 O HIS A 115 7.402 -18.896 -12.721 1.00 12.55 O ATOM 1758 CB HIS A 115 8.454 -20.401 -9.894 1.00 63.24 C ATOM 1759 CG HIS A 115 9.810 -20.849 -9.440 1.00 31.54 C ATOM 1760 ND1 HIS A 115 10.681 -21.548 -10.248 1.00 31.41 N ATOM 1761 CD2 HIS A 115 10.442 -20.692 -8.253 1.00 52.44 C ATOM 1762 CE1 HIS A 115 11.791 -21.804 -9.577 1.00 74.02 C ATOM 1763 NE2 HIS A 115 11.672 -21.294 -8.364 1.00 15.02 N ATOM 0 H HIS A 115 6.520 -18.242 -10.715 1.00 14.11 H new ATOM 0 HA HIS A 115 9.377 -18.506 -10.303 1.00 13.13 H new ATOM 0 HB2 HIS A 115 7.783 -20.374 -9.035 1.00 63.24 H new ATOM 0 HB3 HIS A 115 8.051 -21.137 -10.590 1.00 63.24 H new ATOM 0 HD2 HIS A 115 10.052 -20.188 -7.381 1.00 52.44 H new ATOM 0 HE1 HIS A 115 12.649 -22.339 -9.956 1.00 74.02 H new ATOM 0 HE2 HIS A 115 12.378 -21.340 -7.630 1.00 15.02 H new ATOM 1771 N HIS A 116 9.515 -19.667 -12.656 1.00 4.43 N ATOM 1772 CA HIS A 116 9.601 -19.869 -14.098 1.00 4.31 C ATOM 1773 C HIS A 116 9.564 -21.356 -14.440 1.00 5.14 C ATOM 1774 O HIS A 116 8.506 -21.862 -14.807 1.00 51.34 O ATOM 1775 CB HIS A 116 10.881 -19.239 -14.646 1.00 61.33 C ATOM 1776 CG HIS A 116 10.901 -19.128 -16.140 1.00 10.43 C ATOM 1777 ND1 HIS A 116 11.394 -20.119 -16.962 1.00 11.41 N ATOM 1778 CD2 HIS A 116 10.482 -18.135 -16.960 1.00 5.34 C ATOM 1779 CE1 HIS A 116 11.280 -19.739 -18.223 1.00 10.50 C ATOM 1780 NE2 HIS A 116 10.729 -18.539 -18.249 1.00 30.04 N ATOM 0 H HIS A 116 10.360 -19.919 -12.144 1.00 4.43 H new ATOM 0 HA HIS A 116 8.741 -19.386 -14.561 1.00 4.31 H new ATOM 0 HB2 HIS A 116 11.001 -18.245 -14.214 1.00 61.33 H new ATOM 0 HB3 HIS A 116 11.736 -19.833 -14.322 1.00 61.33 H new ATOM 0 HD2 HIS A 116 10.036 -17.199 -16.657 1.00 5.34 H new ATOM 0 HE1 HIS A 116 11.586 -20.313 -19.086 1.00 10.50 H new ATOM 0 HE2 HIS A 116 10.521 -18.000 -19.090 1.00 30.04 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 17.523 38.450 9.136 1.00 30.25 C HETATM 1790 N2 B6D A 117 17.422 37.828 6.758 1.00 22.40 N HETATM 1791 C3 B6D A 117 15.616 39.269 7.708 1.00 4.42 C HETATM 1792 C4 B6D A 117 14.788 39.518 8.983 1.00 42.23 C HETATM 1793 C5 B6D A 117 15.705 39.802 10.190 1.00 65.55 C HETATM 1794 C6 B6D A 117 14.968 39.874 11.525 1.00 34.34 C HETATM 1795 C7 B6D A 117 18.553 38.525 6.401 1.00 54.11 C HETATM 1796 C8 B6D A 117 19.412 37.885 5.284 1.00 63.15 C HETATM 1797 C9 B6D A 117 13.090 42.972 8.629 1.00 34.41 C HETATM 1798 C2 B6D A 117 16.604 38.105 7.949 1.00 44.15 C HETATM 1799 O7 B6D A 117 18.899 39.568 6.924 1.00 0.41 O HETATM 1800 N4 B6D A 117 13.859 40.639 8.786 1.00 2.30 N HETATM 1801 C10 B6D A 117 14.245 41.954 8.696 1.00 34.42 C HETATM 1802 O10 B6D A 117 15.406 42.320 8.649 1.00 71.12 O HETATM 1803 O5 B6D A 117 16.688 38.700 10.328 1.00 60.52 O HETATM 1804 O3 B6D A 117 14.695 38.916 6.613 1.00 23.31 O HETATM 0 HN4 B6D A 117 12.864 40.427 8.711 1.00 2.30 H new HETATM 0 HN2 B6D A 117 17.129 37.062 6.152 1.00 22.40 H new HETATM 0 H9B B6D A 117 12.476 42.768 7.752 1.00 34.41 H new HETATM 0 H9A B6D A 117 12.479 42.889 9.528 1.00 34.41 H new HETATM 0 H9 B6D A 117 13.498 43.981 8.560 1.00 34.41 H new HETATM 0 H8B B6D A 117 19.750 36.899 5.604 1.00 63.15 H new HETATM 0 H8A B6D A 117 18.815 37.787 4.377 1.00 63.15 H new HETATM 0 H8 B6D A 117 20.277 38.517 5.083 1.00 63.15 H new HETATM 0 H6B B6D A 117 14.227 40.673 11.489 1.00 34.34 H new HETATM 0 H6A B6D A 117 14.469 38.924 11.717 1.00 34.34 H new HETATM 0 H6 B6D A 117 15.681 40.077 12.324 1.00 34.34 H new HETATM 0 H5 B6D A 117 16.161 40.771 9.986 1.00 65.55 H new HETATM 0 H4 B6D A 117 14.213 38.615 9.189 1.00 42.23 H new HETATM 0 H3 B6D A 117 16.180 40.165 7.449 1.00 4.42 H new HETATM 0 H2 B6D A 117 16.022 37.210 8.170 1.00 44.15 H new HETATM 1821 C1 A2G A 118 14.369 40.019 5.673 1.00 52.04 C HETATM 1822 C2 A2G A 118 13.127 39.635 4.854 1.00 34.33 C HETATM 1823 C3 A2G A 118 13.439 38.340 4.080 1.00 23.24 C HETATM 1824 C4 A2G A 118 14.654 38.572 3.080 1.00 22.21 C HETATM 1825 C5 A2G A 118 15.837 39.146 3.832 1.00 64.34 C HETATM 1826 C6 A2G A 118 17.079 39.501 3.003 1.00 72.31 C HETATM 1827 C7 A2G A 118 11.143 40.597 6.036 1.00 44.23 C HETATM 1828 C8 A2G A 118 9.919 40.276 6.912 1.00 33.34 C HETATM 1829 O A2G A 118 15.468 40.287 4.715 1.00 60.52 O HETATM 1830 O3 A2G A 118 12.278 37.856 3.397 1.00 3.44 O HETATM 1831 O4 A2G A 118 14.235 39.553 2.063 1.00 61.32 O HETATM 1832 O6 A2G A 118 17.861 40.501 3.665 1.00 73.31 O HETATM 1833 O7 A2G A 118 11.354 41.736 5.651 1.00 34.02 O HETATM 1834 N2 A2G A 118 11.941 39.525 5.716 1.00 73.44 N HETATM 0 HO3 A2G A 118 12.502 37.035 2.912 1.00 3.44 H new HETATM 0 HN2 A2G A 118 11.699 38.609 6.095 1.00 73.44 H new HETATM 0 H8B A2G A 118 9.279 39.561 6.395 1.00 33.34 H new HETATM 0 H8A A2G A 118 10.251 39.848 7.858 1.00 33.34 H new HETATM 0 H8 A2G A 118 9.359 41.191 7.104 1.00 33.34 H new HETATM 0 H6 A2G A 118 16.775 39.861 2.020 1.00 72.31 H new HETATM 0 H5 A2G A 118 16.139 38.295 4.442 1.00 64.34 H new HETATM 0 H4 A2G A 118 14.936 37.624 2.621 1.00 22.21 H new HETATM 0 H3 A2G A 118 13.735 37.572 4.795 1.00 23.24 H new HETATM 0 H2 A2G A 118 12.888 40.415 4.131 1.00 34.33 H new HETATM 0 H15 A2G A 118 17.296 40.993 4.296 1.00 73.31 H new HETATM 0 H14 A2G A 118 17.683 38.608 2.842 1.00 72.31 H new HETATM 1848 C1 A2G A 119 14.676 39.258 0.675 1.00 55.34 C HETATM 1849 C2 A2G A 119 14.777 40.572 -0.114 1.00 13.31 C HETATM 1850 C3 A2G A 119 13.388 41.240 -0.117 1.00 11.30 C HETATM 1851 C4 A2G A 119 12.322 40.301 -0.832 1.00 61.54 C HETATM 1852 C5 A2G A 119 12.345 38.924 -0.201 1.00 64.52 C HETATM 1853 C6 A2G A 119 11.427 37.862 -0.820 1.00 35.31 C HETATM 1854 C7 A2G A 119 16.680 42.175 -0.360 1.00 2.30 C HETATM 1855 C8 A2G A 119 17.737 43.005 0.393 1.00 71.22 C HETATM 1856 O A2G A 119 13.724 38.379 -0.044 1.00 0.44 O HETATM 1857 O3 A2G A 119 13.442 42.535 -0.727 1.00 71.35 O HETATM 1858 O4 A2G A 119 12.702 40.163 -2.250 1.00 42.33 O HETATM 1859 O6 A2G A 119 11.219 36.778 0.091 1.00 32.33 O HETATM 1860 O7 A2G A 119 16.610 42.212 -1.578 1.00 63.32 O HETATM 1861 N2 A2G A 119 15.834 41.435 0.430 1.00 24.21 N HETATM 0 HO3 A2G A 119 12.549 42.938 -0.719 1.00 71.35 H new HETATM 0 HN2 A2G A 119 15.945 41.487 1.443 1.00 24.21 H new HETATM 0 H8B A2G A 119 17.239 43.713 1.056 1.00 71.22 H new HETATM 0 H8A A2G A 119 18.370 42.341 0.981 1.00 71.22 H new HETATM 0 H8 A2G A 119 18.351 43.550 -0.324 1.00 71.22 H new HETATM 0 H6 A2G A 119 11.868 37.487 -1.744 1.00 35.31 H new HETATM 0 H5 A2G A 119 11.917 39.128 0.781 1.00 64.52 H new HETATM 0 H4 A2G A 119 11.327 40.736 -0.731 1.00 61.54 H new HETATM 0 H3 A2G A 119 13.070 41.382 0.916 1.00 11.30 H new HETATM 0 H2 A2G A 119 15.067 40.378 -1.147 1.00 13.31 H new HETATM 0 H15 A2G A 119 10.630 36.112 -0.322 1.00 32.33 H new HETATM 0 H14 A2G A 119 10.469 38.311 -1.083 1.00 35.31 H new HETATM 1875 C1 A2G A 120 11.600 40.360 -3.227 1.00 3.40 C HETATM 1876 C2 A2G A 120 11.858 39.485 -4.463 1.00 0.00 C HETATM 1877 C3 A2G A 120 13.207 39.903 -5.078 1.00 73.53 C HETATM 1878 C4 A2G A 120 13.159 41.425 -5.537 1.00 23.22 C HETATM 1879 C5 A2G A 120 12.709 42.296 -4.382 1.00 64.21 C HETATM 1880 C6 A2G A 120 12.536 43.793 -4.670 1.00 52.33 C HETATM 1881 C7 A2G A 120 10.611 37.389 -3.910 1.00 61.02 C HETATM 1882 C8 A2G A 120 10.743 35.885 -3.603 1.00 42.54 C HETATM 1883 O A2G A 120 11.502 41.765 -3.689 1.00 74.31 O HETATM 1884 O3 A2G A 120 13.568 39.038 -6.160 1.00 20.20 O HETATM 1885 O4 A2G A 120 12.170 41.552 -6.622 1.00 10.10 O HETATM 1886 O6 A2G A 120 13.038 44.580 -3.584 1.00 42.00 O HETATM 1887 O7 A2G A 120 9.513 37.917 -3.974 1.00 50.32 O HETATM 1888 N2 A2G A 120 11.793 38.057 -4.122 1.00 22.02 N HETATM 0 HN2 A2G A 120 12.667 37.537 -4.039 1.00 22.02 H new HETATM 0 H8B A2G A 120 11.232 35.385 -4.439 1.00 42.54 H new HETATM 0 H8A A2G A 120 11.338 35.749 -2.700 1.00 42.54 H new HETATM 0 H8 A2G A 120 9.752 35.456 -3.453 1.00 42.54 H new HETATM 0 H6 A2G A 120 11.482 44.018 -4.831 1.00 52.33 H new HETATM 0 H5 A2G A 120 13.569 42.235 -3.716 1.00 64.21 H new HETATM 0 H4 A2G A 120 14.149 41.737 -5.869 1.00 23.22 H new HETATM 0 H3 A2G A 120 13.980 39.807 -4.315 1.00 73.53 H new HETATM 0 H2 A2G A 120 11.080 39.638 -5.211 1.00 0.00 H new HETATM 0 H15 A2G A 120 12.920 45.531 -3.787 1.00 42.00 H new HETATM 0 H14 A2G A 120 13.062 44.055 -5.588 1.00 52.33 H new HETATM 1901 C1 A2G A 121 12.638 42.281 -7.829 1.00 72.41 C HETATM 1902 C2 A2G A 121 11.442 42.982 -8.492 1.00 74.04 C HETATM 1903 C3 A2G A 121 10.406 41.907 -8.877 1.00 53.44 C HETATM 1904 C4 A2G A 121 11.034 40.881 -9.918 1.00 41.11 C HETATM 1905 C5 A2G A 121 12.330 40.323 -9.371 1.00 64.15 C HETATM 1906 C6 A2G A 121 13.112 39.366 -10.282 1.00 42.01 C HETATM 1907 C7 A2G A 121 11.055 45.372 -7.868 1.00 14.32 C HETATM 1908 C8 A2G A 121 10.442 46.318 -6.819 1.00 11.12 C HETATM 1909 O A2G A 121 13.238 41.376 -8.837 1.00 41.24 O HETATM 1910 O3 A2G A 121 9.209 42.507 -9.384 1.00 52.30 O HETATM 1911 O4 A2G A 121 11.335 41.610 -11.163 1.00 74.30 O HETATM 1912 O6 A2G A 121 12.470 38.088 -10.345 1.00 2.12 O HETATM 1913 O7 A2G A 121 11.620 45.816 -8.853 1.00 71.52 O HETATM 1914 N2 A2G A 121 10.895 44.029 -7.620 1.00 13.24 N HETATM 0 HO3 A2G A 121 8.568 41.806 -9.623 1.00 52.30 H new HETATM 0 HN2 A2G A 121 10.372 43.747 -6.791 1.00 13.24 H new HETATM 0 H8B A2G A 121 9.368 46.144 -6.755 1.00 11.12 H new HETATM 0 H8A A2G A 121 10.899 46.129 -5.847 1.00 11.12 H new HETATM 0 H8 A2G A 121 10.625 47.352 -7.111 1.00 11.12 H new HETATM 0 H6 A2G A 121 14.129 39.249 -9.907 1.00 42.01 H new HETATM 0 H5 A2G A 121 11.969 39.701 -8.552 1.00 64.15 H new HETATM 0 H4 A2G A 121 10.331 40.068 -10.099 1.00 41.11 H new HETATM 0 H3 A2G A 121 10.133 41.350 -7.981 1.00 53.44 H new HETATM 0 H2 A2G A 121 11.754 43.498 -9.400 1.00 74.04 H new HETATM 0 H15 A2G A 121 12.982 37.493 -10.931 1.00 2.12 H new HETATM 0 H14 A2G A 121 13.188 39.790 -11.283 1.00 42.01 H new HETATM 1928 C1 A2G A 122 10.936 40.920 -12.417 1.00 31.21 C HETATM 1929 C2 A2G A 122 11.581 41.633 -13.615 1.00 1.30 C HETATM 1930 C3 A2G A 122 11.094 43.096 -13.624 1.00 71.24 C HETATM 1931 C4 A2G A 122 9.513 43.151 -13.791 1.00 53.04 C HETATM 1932 C5 A2G A 122 8.853 42.285 -12.739 1.00 4.40 C HETATM 1933 C6 A2G A 122 7.325 42.165 -12.798 1.00 55.05 C HETATM 1934 C7 A2G A 122 13.776 40.944 -14.595 1.00 25.54 C HETATM 1935 C8 A2G A 122 15.293 40.844 -14.344 1.00 73.43 C HETATM 1936 O A2G A 122 9.470 40.934 -12.627 1.00 34.52 O HETATM 1937 O3 A2G A 122 11.759 43.852 -14.642 1.00 30.34 O HETATM 1938 O4 A2G A 122 9.168 42.607 -15.117 1.00 55.52 O HETATM 1939 O6 A2G A 122 6.924 41.351 -13.905 1.00 30.11 O HETATM 1940 O7 A2G A 122 13.290 40.555 -15.643 1.00 50.40 O HETATM 1941 N2 A2G A 122 13.044 41.510 -13.578 1.00 45.02 N HETATM 0 HO4 A2G A 122 8.373 42.039 -15.041 1.00 55.52 H new HETATM 0 HO3 A2G A 122 11.432 44.776 -14.629 1.00 30.34 H new HETATM 0 HN2 A2G A 122 13.541 41.861 -12.759 1.00 45.02 H new HETATM 0 H8B A2G A 122 15.703 41.842 -14.189 1.00 73.43 H new HETATM 0 H8A A2G A 122 15.476 40.235 -13.458 1.00 73.43 H new HETATM 0 H8 A2G A 122 15.775 40.384 -15.206 1.00 73.43 H new HETATM 0 H6 A2G A 122 6.881 43.156 -12.889 1.00 55.05 H new HETATM 0 H5 A2G A 122 9.054 42.855 -11.832 1.00 4.40 H new HETATM 0 H4 A2G A 122 9.171 44.181 -13.686 1.00 53.04 H new HETATM 0 H3 A2G A 122 11.346 43.552 -12.667 1.00 71.24 H new HETATM 0 H2 A2G A 122 11.276 41.164 -14.550 1.00 1.30 H new HETATM 0 H15 A2G A 122 5.946 41.285 -13.925 1.00 30.11 H new HETATM 0 H14 A2G A 122 6.953 41.733 -11.869 1.00 55.05 H new HETATM 1955 C2 BGC A 123 15.247 37.767 -7.411 1.00 41.01 C HETATM 1956 C3 BGC A 123 16.602 37.790 -8.149 1.00 3.42 C HETATM 1957 C4 BGC A 123 16.911 39.159 -8.784 1.00 40.23 C HETATM 1958 C5 BGC A 123 16.733 40.296 -7.763 1.00 4.33 C HETATM 1959 C6 BGC A 123 16.977 41.710 -8.310 1.00 32.21 C HETATM 1960 C1 BGC A 123 14.987 39.017 -6.545 1.00 20.22 C HETATM 1961 O2 BGC A 123 15.232 36.623 -6.540 1.00 51.22 O HETATM 1962 O3 BGC A 123 16.547 36.809 -9.201 1.00 1.01 O HETATM 1963 O4 BGC A 123 18.283 39.155 -9.219 1.00 14.32 O HETATM 1964 O5 BGC A 123 15.331 40.237 -7.302 1.00 3.30 O HETATM 1965 O6 BGC A 123 18.361 42.040 -8.129 1.00 62.04 O HETATM 0 H6C2 BGC A 123 16.712 41.758 -9.366 1.00 32.21 H new HETATM 0 H6C1 BGC A 123 16.346 42.431 -7.790 1.00 32.21 H new HETATM 0 HD BGC A 123 18.455 39.949 -9.767 1.00 14.32 H new HETATM 0 HC BGC A 123 17.397 36.804 -9.688 1.00 1.01 H new HETATM 0 HB BGC A 123 14.379 36.589 -6.059 1.00 51.22 H new HETATM 0 H6 BGC A 123 18.531 42.941 -8.476 1.00 62.04 H new HETATM 0 H5 BGC A 123 17.477 40.140 -6.982 1.00 4.33 H new HETATM 0 H4 BGC A 123 16.226 39.323 -9.616 1.00 40.23 H new HETATM 0 H3 BGC A 123 17.386 37.579 -7.421 1.00 3.42 H new HETATM 0 H2 BGC A 123 14.471 37.734 -8.176 1.00 41.01 H new