USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 55 SER OG : rot -38:sc= 1.76 USER MOD Set 1.2: B 85 LYS NZ :NH3+ -175:sc= 1.67 (180deg=0.215) USER MOD Set 2.1: B 48 HIS : no HE2:sc= -0.481! C(o=1.1!,f=-19!) USER MOD Set 2.2: B 89 LYS NZ :NH3+ -151:sc= 1.54 (180deg=0.616) USER MOD Set 3.1: A 55 SER OG : rot -77:sc= 2.2 USER MOD Set 3.2: A 85 LYS NZ :NH3+ 179:sc= 1.3 (180deg=0) USER MOD Set 4.1: A 44 GLN : amide:sc= 0.848 K(o=1.3,f=-0.4) USER MOD Set 4.2: A 45 GLN : amide:sc= 0.42 K(o=1.3,f=-0.4) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 12 SER OG : rot 68:sc= 1.02 USER MOD Single : A 15 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -59:sc= 1.08 USER MOD Single : A 22 THR OG1 : rot 88:sc= 0.989 USER MOD Single : A 32 SER OG : rot 83:sc= 0.959 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 1.16 (180deg=1.05) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= 0.0825 K(o=0.082,f=-4.7!) USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -0.371 (180deg=-0.794) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 2.07 (180deg=1.99) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0.641 (180deg=0.518) USER MOD Single : A 62 SER OG : rot 80:sc= 1.24 USER MOD Single : A 66 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.021) USER MOD Single : A 67 GLN : amide:sc= -1.58! C(o=-1.6!,f=-1.4!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 1.26 K(o=1.3,f=-2.2!) USER MOD Single : A 76 TYR OH : rot 130:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= 1.19 (180deg=-0.654!) USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= -0.332 (180deg=-0.386) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= 1.06 (180deg=1.04) USER MOD Single : B 7 THR OG1 : rot -94:sc= -0.423 USER MOD Single : B 12 SER OG : rot 69:sc= 1.02 USER MOD Single : B 15 THR OG1 : rot 117:sc= 1.26 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 70:sc= 1.22 USER MOD Single : B 22 THR OG1 : rot -141:sc= 0.00708 USER MOD Single : B 30 LYS NZ :NH3+ 146:sc= 0.561 (180deg=-3.11!) USER MOD Single : B 32 SER OG : rot -150:sc= 0.413 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 36 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.34) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0.185 (180deg=0.185) USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 1.15 K(o=1.1,f=-0.0073) USER MOD Single : B 45 GLN : amide:sc= -0.112 K(o=-0.11,f=-2.7!) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 LYS NZ :NH3+ -156:sc= -0.888! (180deg=-1.3) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -158:sc= 0.829 (180deg=-1.85!) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.092) USER MOD Single : B 67 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.93) USER MOD Single : B 69 SER OG : rot 180:sc= 0.197 USER MOD Single : B 72 LYS NZ :NH3+ -137:sc= 1.12 (180deg=-0.425) USER MOD Single : B 74 ASN : amide:sc= 0.848 K(o=0.85,f=-1.5) USER MOD Single : B 76 TYR OH : rot 130:sc= 0 USER MOD Single : B 90 LYS NZ :NH3+ -136:sc= 1.18 (180deg=-0.241) USER MOD Single : B 91 LYS NZ :NH3+ 151:sc= 1.19 (180deg=-1.89!) USER MOD Single : B 94 LYS NZ :NH3+ -112:sc= 0.742 (180deg=-3.58!) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -14.040 -12.328 8.357 1.00 1.41 N ATOM 41 CA GLU A 4 -14.942 -11.358 7.748 1.00 1.25 C ATOM 42 C GLU A 4 -14.984 -11.577 6.233 1.00 1.28 C ATOM 43 O GLU A 4 -14.142 -12.305 5.705 1.00 1.29 O ATOM 44 CB GLU A 4 -14.516 -9.939 8.139 1.00 1.41 C ATOM 45 CG GLU A 4 -13.341 -9.333 7.375 1.00 2.16 C ATOM 46 CD GLU A 4 -13.212 -7.844 7.670 1.00 3.86 C ATOM 47 OE1 GLU A 4 -14.177 -7.111 7.355 1.00 5.11 O ATOM 48 OE2 GLU A 4 -12.159 -7.454 8.211 1.00 4.41 O ATOM 0 HA GLU A 4 -15.958 -11.496 8.118 1.00 1.25 H new ATOM 0 HB2 GLU A 4 -15.376 -9.281 8.015 1.00 1.41 H new ATOM 0 HB3 GLU A 4 -14.266 -9.941 9.200 1.00 1.41 H new ATOM 0 HG2 GLU A 4 -12.419 -9.844 7.652 1.00 2.16 H new ATOM 0 HG3 GLU A 4 -13.480 -9.485 6.305 1.00 2.16 H new ATOM 55 N PRO A 5 -15.913 -10.943 5.498 1.00 1.40 N ATOM 56 CA PRO A 5 -15.982 -11.086 4.059 1.00 1.53 C ATOM 57 C PRO A 5 -14.960 -10.144 3.412 1.00 1.50 C ATOM 58 O PRO A 5 -15.323 -9.267 2.631 1.00 1.65 O ATOM 59 CB PRO A 5 -17.439 -10.767 3.716 1.00 1.75 C ATOM 60 CG PRO A 5 -17.852 -9.740 4.773 1.00 1.81 C ATOM 61 CD PRO A 5 -16.908 -9.986 5.956 1.00 1.55 C ATOM 0 HA PRO A 5 -15.726 -12.077 3.685 1.00 1.53 H new ATOM 0 HB2 PRO A 5 -17.532 -10.362 2.708 1.00 1.75 H new ATOM 0 HB3 PRO A 5 -18.064 -11.659 3.760 1.00 1.75 H new ATOM 0 HG2 PRO A 5 -17.753 -8.723 4.394 1.00 1.81 H new ATOM 0 HG3 PRO A 5 -18.894 -9.872 5.065 1.00 1.81 H new ATOM 0 HD2 PRO A 5 -16.435 -9.057 6.275 1.00 1.55 H new ATOM 0 HD3 PRO A 5 -17.455 -10.376 6.814 1.00 1.55 H new ATOM 69 N LEU A 6 -13.677 -10.343 3.734 1.00 1.37 N ATOM 70 CA LEU A 6 -12.570 -9.632 3.101 1.00 1.25 C ATOM 71 C LEU A 6 -12.200 -10.295 1.765 1.00 1.12 C ATOM 72 O LEU A 6 -12.818 -11.277 1.348 1.00 1.56 O ATOM 73 CB LEU A 6 -11.387 -9.477 4.077 1.00 1.26 C ATOM 74 CG LEU A 6 -10.862 -10.746 4.773 1.00 1.33 C ATOM 75 CD1 LEU A 6 -10.321 -11.790 3.790 1.00 1.91 C ATOM 76 CD2 LEU A 6 -9.731 -10.332 5.724 1.00 2.16 C ATOM 0 H LEU A 6 -13.380 -11.008 4.448 1.00 1.37 H new ATOM 0 HA LEU A 6 -12.881 -8.616 2.856 1.00 1.25 H new ATOM 0 HB2 LEU A 6 -10.558 -9.027 3.530 1.00 1.26 H new ATOM 0 HB3 LEU A 6 -11.681 -8.768 4.851 1.00 1.26 H new ATOM 0 HG LEU A 6 -11.697 -11.206 5.301 1.00 1.33 H new ATOM 0 HD11 LEU A 6 -9.966 -12.660 4.342 1.00 1.91 H new ATOM 0 HD12 LEU A 6 -11.115 -12.092 3.107 1.00 1.91 H new ATOM 0 HD13 LEU A 6 -9.497 -11.361 3.221 1.00 1.91 H new ATOM 0 HD21 LEU A 6 -9.341 -11.214 6.231 1.00 2.16 H new ATOM 0 HD22 LEU A 6 -8.932 -9.858 5.154 1.00 2.16 H new ATOM 0 HD23 LEU A 6 -10.116 -9.630 6.463 1.00 2.16 H new ATOM 88 N THR A 7 -11.249 -9.717 1.029 1.00 0.80 N ATOM 89 CA THR A 7 -10.853 -10.129 -0.315 1.00 0.75 C ATOM 90 C THR A 7 -9.402 -9.666 -0.503 1.00 0.71 C ATOM 91 O THR A 7 -8.984 -8.770 0.231 1.00 0.80 O ATOM 92 CB THR A 7 -11.820 -9.476 -1.321 1.00 0.87 C ATOM 93 OG1 THR A 7 -13.161 -9.766 -0.981 1.00 1.32 O ATOM 94 CG2 THR A 7 -11.606 -9.949 -2.757 1.00 1.24 C ATOM 0 H THR A 7 -10.714 -8.918 1.368 1.00 0.80 H new ATOM 0 HA THR A 7 -10.903 -11.207 -0.470 1.00 0.75 H new ATOM 0 HB THR A 7 -11.614 -8.407 -1.268 1.00 0.87 H new ATOM 0 HG1 THR A 7 -13.762 -9.342 -1.629 1.00 1.32 H new ATOM 0 HG21 THR A 7 -12.319 -9.451 -3.414 1.00 1.24 H new ATOM 0 HG22 THR A 7 -10.591 -9.707 -3.072 1.00 1.24 H new ATOM 0 HG23 THR A 7 -11.755 -11.027 -2.811 1.00 1.24 H new ATOM 102 N GLU A 8 -8.639 -10.246 -1.441 1.00 0.74 N ATOM 103 CA GLU A 8 -7.189 -10.068 -1.584 1.00 0.78 C ATOM 104 C GLU A 8 -6.725 -8.621 -1.365 1.00 0.73 C ATOM 105 O GLU A 8 -5.748 -8.356 -0.665 1.00 0.75 O ATOM 106 CB GLU A 8 -6.709 -10.547 -2.968 1.00 0.95 C ATOM 107 CG GLU A 8 -7.099 -11.987 -3.335 1.00 1.10 C ATOM 108 CD GLU A 8 -8.430 -12.054 -4.072 1.00 1.66 C ATOM 109 OE1 GLU A 8 -9.450 -11.981 -3.354 1.00 2.69 O ATOM 110 OE2 GLU A 8 -8.404 -12.134 -5.322 1.00 2.21 O ATOM 0 H GLU A 8 -9.029 -10.873 -2.144 1.00 0.74 H new ATOM 0 HA GLU A 8 -6.742 -10.677 -0.798 1.00 0.78 H new ATOM 0 HB2 GLU A 8 -7.110 -9.875 -3.726 1.00 0.95 H new ATOM 0 HB3 GLU A 8 -5.623 -10.461 -3.008 1.00 0.95 H new ATOM 0 HG2 GLU A 8 -6.319 -12.425 -3.957 1.00 1.10 H new ATOM 0 HG3 GLU A 8 -7.158 -12.588 -2.428 1.00 1.10 H new ATOM 117 N LEU A 9 -7.419 -7.666 -1.987 1.00 0.72 N ATOM 118 CA LEU A 9 -7.050 -6.262 -1.899 1.00 0.73 C ATOM 119 C LEU A 9 -7.130 -5.800 -0.437 1.00 0.71 C ATOM 120 O LEU A 9 -6.188 -5.198 0.076 1.00 0.75 O ATOM 121 CB LEU A 9 -7.949 -5.411 -2.811 1.00 0.83 C ATOM 122 CG LEU A 9 -7.822 -5.645 -4.334 1.00 0.95 C ATOM 123 CD1 LEU A 9 -6.458 -5.202 -4.871 1.00 1.81 C ATOM 124 CD2 LEU A 9 -8.099 -7.076 -4.811 1.00 2.10 C ATOM 0 H LEU A 9 -8.244 -7.847 -2.559 1.00 0.72 H new ATOM 0 HA LEU A 9 -6.024 -6.134 -2.243 1.00 0.73 H new ATOM 0 HB2 LEU A 9 -8.986 -5.588 -2.526 1.00 0.83 H new ATOM 0 HB3 LEU A 9 -7.738 -4.361 -2.610 1.00 0.83 H new ATOM 0 HG LEU A 9 -8.617 -5.022 -4.743 1.00 0.95 H new ATOM 0 HD11 LEU A 9 -6.413 -5.385 -5.945 1.00 1.81 H new ATOM 0 HD12 LEU A 9 -6.319 -4.138 -4.678 1.00 1.81 H new ATOM 0 HD13 LEU A 9 -5.670 -5.767 -4.373 1.00 1.81 H new ATOM 0 HD21 LEU A 9 -7.982 -7.128 -5.893 1.00 2.10 H new ATOM 0 HD22 LEU A 9 -7.395 -7.760 -4.337 1.00 2.10 H new ATOM 0 HD23 LEU A 9 -9.117 -7.359 -4.542 1.00 2.10 H new ATOM 136 N GLU A 10 -8.233 -6.123 0.246 1.00 0.69 N ATOM 137 CA GLU A 10 -8.393 -5.866 1.670 1.00 0.72 C ATOM 138 C GLU A 10 -7.272 -6.589 2.418 1.00 0.67 C ATOM 139 O GLU A 10 -6.520 -5.973 3.166 1.00 0.69 O ATOM 140 CB GLU A 10 -9.780 -6.339 2.128 1.00 0.88 C ATOM 141 CG GLU A 10 -10.270 -5.677 3.421 1.00 1.28 C ATOM 142 CD GLU A 10 -9.257 -5.730 4.551 1.00 2.27 C ATOM 143 OE1 GLU A 10 -9.180 -6.788 5.203 1.00 3.16 O ATOM 144 OE2 GLU A 10 -8.590 -4.691 4.757 1.00 3.34 O ATOM 0 H GLU A 10 -9.042 -6.573 -0.182 1.00 0.69 H new ATOM 0 HA GLU A 10 -8.326 -4.799 1.883 1.00 0.72 H new ATOM 0 HB2 GLU A 10 -10.500 -6.140 1.335 1.00 0.88 H new ATOM 0 HB3 GLU A 10 -9.755 -7.419 2.272 1.00 0.88 H new ATOM 0 HG2 GLU A 10 -10.518 -4.636 3.215 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -11.189 -6.166 3.744 1.00 1.28 H new ATOM 151 N GLU A 11 -7.116 -7.889 2.160 1.00 0.68 N ATOM 152 CA GLU A 11 -6.102 -8.711 2.805 1.00 0.71 C ATOM 153 C GLU A 11 -4.719 -8.042 2.732 1.00 0.65 C ATOM 154 O GLU A 11 -3.952 -8.054 3.697 1.00 0.68 O ATOM 155 CB GLU A 11 -6.117 -10.110 2.176 1.00 0.82 C ATOM 156 CG GLU A 11 -5.462 -11.165 3.075 1.00 1.01 C ATOM 157 CD GLU A 11 -5.623 -12.562 2.485 1.00 2.13 C ATOM 158 OE1 GLU A 11 -5.352 -12.697 1.273 1.00 3.11 O ATOM 159 OE2 GLU A 11 -6.031 -13.462 3.250 1.00 3.31 O ATOM 0 H GLU A 11 -7.695 -8.400 1.493 1.00 0.68 H new ATOM 0 HA GLU A 11 -6.329 -8.814 3.866 1.00 0.71 H new ATOM 0 HB2 GLU A 11 -7.147 -10.401 1.970 1.00 0.82 H new ATOM 0 HB3 GLU A 11 -5.597 -10.080 1.218 1.00 0.82 H new ATOM 0 HG2 GLU A 11 -4.403 -10.938 3.196 1.00 1.01 H new ATOM 0 HG3 GLU A 11 -5.911 -11.132 4.068 1.00 1.01 H new ATOM 166 N SER A 12 -4.410 -7.387 1.607 1.00 0.64 N ATOM 167 CA SER A 12 -3.136 -6.702 1.450 1.00 0.64 C ATOM 168 C SER A 12 -3.046 -5.552 2.455 1.00 0.59 C ATOM 169 O SER A 12 -2.022 -5.326 3.098 1.00 0.64 O ATOM 170 CB SER A 12 -3.003 -6.183 0.015 1.00 0.70 C ATOM 171 OG SER A 12 -3.207 -7.222 -0.924 1.00 1.76 O ATOM 0 H SER A 12 -5.027 -7.321 0.798 1.00 0.64 H new ATOM 0 HA SER A 12 -2.318 -7.396 1.643 1.00 0.64 H new ATOM 0 HB2 SER A 12 -3.728 -5.387 -0.156 1.00 0.70 H new ATOM 0 HB3 SER A 12 -2.013 -5.749 -0.128 1.00 0.70 H new ATOM 0 HG SER A 12 -4.143 -7.512 -0.893 1.00 1.76 H new ATOM 177 N ILE A 13 -4.144 -4.813 2.585 1.00 0.53 N ATOM 178 CA ILE A 13 -4.234 -3.633 3.418 1.00 0.48 C ATOM 179 C ILE A 13 -4.162 -4.035 4.889 1.00 0.45 C ATOM 180 O ILE A 13 -3.385 -3.446 5.643 1.00 0.46 O ATOM 181 CB ILE A 13 -5.517 -2.867 3.051 1.00 0.50 C ATOM 182 CG1 ILE A 13 -5.386 -2.378 1.600 1.00 0.70 C ATOM 183 CG2 ILE A 13 -5.837 -1.670 3.959 1.00 0.48 C ATOM 184 CD1 ILE A 13 -6.742 -2.116 0.982 1.00 0.53 C ATOM 0 H ILE A 13 -5.014 -5.029 2.099 1.00 0.53 H new ATOM 0 HA ILE A 13 -3.394 -2.960 3.245 1.00 0.48 H new ATOM 0 HB ILE A 13 -6.344 -3.565 3.184 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -4.790 -1.466 1.574 1.00 0.70 H new ATOM 0 HG13 ILE A 13 -4.853 -3.124 1.010 1.00 0.70 H new ATOM 0 HG21 ILE A 13 -6.758 -1.194 3.622 1.00 0.48 H new ATOM 0 HG22 ILE A 13 -5.961 -2.015 4.986 1.00 0.48 H new ATOM 0 HG23 ILE A 13 -5.019 -0.951 3.914 1.00 0.48 H new ATOM 0 HD11 ILE A 13 -6.614 -1.772 -0.044 1.00 0.53 H new ATOM 0 HD12 ILE A 13 -7.327 -3.036 0.986 1.00 0.53 H new ATOM 0 HD13 ILE A 13 -7.263 -1.352 1.559 1.00 0.53 H new ATOM 196 N GLU A 14 -4.956 -5.027 5.307 1.00 0.48 N ATOM 197 CA GLU A 14 -4.936 -5.485 6.688 1.00 0.54 C ATOM 198 C GLU A 14 -3.534 -6.000 7.060 1.00 0.55 C ATOM 199 O GLU A 14 -3.001 -5.682 8.127 1.00 0.57 O ATOM 200 CB GLU A 14 -6.117 -6.410 6.999 1.00 0.77 C ATOM 201 CG GLU A 14 -5.982 -7.875 6.580 1.00 1.19 C ATOM 202 CD GLU A 14 -5.562 -8.803 7.709 1.00 2.25 C ATOM 203 OE1 GLU A 14 -5.081 -8.325 8.764 1.00 2.68 O ATOM 204 OE2 GLU A 14 -5.855 -10.014 7.615 1.00 3.26 O ATOM 0 H GLU A 14 -5.615 -5.522 4.707 1.00 0.48 H new ATOM 0 HA GLU A 14 -5.105 -4.648 7.365 1.00 0.54 H new ATOM 0 HB2 GLU A 14 -6.296 -6.380 8.074 1.00 0.77 H new ATOM 0 HB3 GLU A 14 -7.004 -6.000 6.516 1.00 0.77 H new ATOM 0 HG2 GLU A 14 -6.936 -8.217 6.178 1.00 1.19 H new ATOM 0 HG3 GLU A 14 -5.252 -7.946 5.774 1.00 1.19 H new ATOM 211 N THR A 15 -2.882 -6.691 6.119 1.00 0.58 N ATOM 212 CA THR A 15 -1.484 -7.080 6.254 1.00 0.61 C ATOM 213 C THR A 15 -0.592 -5.851 6.466 1.00 0.58 C ATOM 214 O THR A 15 0.175 -5.817 7.429 1.00 0.63 O ATOM 215 CB THR A 15 -1.024 -7.944 5.070 1.00 0.68 C ATOM 216 OG1 THR A 15 -1.811 -9.114 5.017 1.00 0.81 O ATOM 217 CG2 THR A 15 0.439 -8.373 5.225 1.00 0.74 C ATOM 0 H THR A 15 -3.313 -6.994 5.245 1.00 0.58 H new ATOM 0 HA THR A 15 -1.388 -7.701 7.144 1.00 0.61 H new ATOM 0 HB THR A 15 -1.130 -7.349 4.163 1.00 0.68 H new ATOM 0 HG1 THR A 15 -2.681 -8.905 4.618 1.00 0.81 H new ATOM 0 HG21 THR A 15 0.732 -8.983 4.370 1.00 0.74 H new ATOM 0 HG22 THR A 15 1.074 -7.489 5.274 1.00 0.74 H new ATOM 0 HG23 THR A 15 0.553 -8.953 6.141 1.00 0.74 H new ATOM 225 N VAL A 16 -0.676 -4.827 5.607 1.00 0.56 N ATOM 226 CA VAL A 16 0.121 -3.627 5.804 1.00 0.58 C ATOM 227 C VAL A 16 -0.102 -3.070 7.210 1.00 0.57 C ATOM 228 O VAL A 16 0.854 -2.902 7.958 1.00 0.63 O ATOM 229 CB VAL A 16 -0.183 -2.572 4.731 1.00 0.61 C ATOM 230 CG1 VAL A 16 0.452 -1.245 5.147 1.00 0.65 C ATOM 231 CG2 VAL A 16 0.392 -2.957 3.367 1.00 0.65 C ATOM 0 H VAL A 16 -1.279 -4.811 4.785 1.00 0.56 H new ATOM 0 HA VAL A 16 1.173 -3.894 5.703 1.00 0.58 H new ATOM 0 HB VAL A 16 -1.267 -2.494 4.644 1.00 0.61 H new ATOM 0 HG11 VAL A 16 0.242 -0.488 4.391 1.00 0.65 H new ATOM 0 HG12 VAL A 16 0.037 -0.927 6.104 1.00 0.65 H new ATOM 0 HG13 VAL A 16 1.530 -1.372 5.243 1.00 0.65 H new ATOM 0 HG21 VAL A 16 0.153 -2.182 2.639 1.00 0.65 H new ATOM 0 HG22 VAL A 16 1.474 -3.060 3.444 1.00 0.65 H new ATOM 0 HG23 VAL A 16 -0.041 -3.904 3.044 1.00 0.65 H new ATOM 241 N VAL A 17 -1.346 -2.756 7.584 1.00 0.53 N ATOM 242 CA VAL A 17 -1.580 -2.122 8.879 1.00 0.58 C ATOM 243 C VAL A 17 -1.072 -3.006 10.030 1.00 0.65 C ATOM 244 O VAL A 17 -0.532 -2.482 11.005 1.00 0.78 O ATOM 245 CB VAL A 17 -3.035 -1.662 9.062 1.00 0.53 C ATOM 246 CG1 VAL A 17 -3.450 -0.656 7.980 1.00 0.54 C ATOM 247 CG2 VAL A 17 -3.990 -2.847 9.058 1.00 0.52 C ATOM 0 H VAL A 17 -2.182 -2.925 7.025 1.00 0.53 H new ATOM 0 HA VAL A 17 -0.991 -1.205 8.903 1.00 0.58 H new ATOM 0 HB VAL A 17 -3.092 -1.167 10.031 1.00 0.53 H new ATOM 0 HG11 VAL A 17 -4.485 -0.354 8.142 1.00 0.54 H new ATOM 0 HG12 VAL A 17 -2.804 0.220 8.031 1.00 0.54 H new ATOM 0 HG13 VAL A 17 -3.357 -1.119 6.998 1.00 0.54 H new ATOM 0 HG21 VAL A 17 -5.012 -2.491 9.189 1.00 0.52 H new ATOM 0 HG22 VAL A 17 -3.909 -3.376 8.109 1.00 0.52 H new ATOM 0 HG23 VAL A 17 -3.734 -3.524 9.873 1.00 0.52 H new ATOM 257 N THR A 18 -1.202 -4.336 9.926 1.00 0.64 N ATOM 258 CA THR A 18 -0.676 -5.222 10.959 1.00 0.77 C ATOM 259 C THR A 18 0.861 -5.253 10.950 1.00 0.76 C ATOM 260 O THR A 18 1.470 -5.415 12.006 1.00 0.83 O ATOM 261 CB THR A 18 -1.350 -6.611 10.929 1.00 0.83 C ATOM 262 OG1 THR A 18 -1.549 -7.064 12.255 1.00 1.36 O ATOM 263 CG2 THR A 18 -0.566 -7.696 10.185 1.00 0.89 C ATOM 0 H THR A 18 -1.660 -4.811 9.148 1.00 0.64 H new ATOM 0 HA THR A 18 -0.945 -4.808 11.931 1.00 0.77 H new ATOM 0 HB THR A 18 -2.283 -6.462 10.386 1.00 0.83 H new ATOM 0 HG1 THR A 18 -1.978 -7.945 12.239 1.00 1.36 H new ATOM 0 HG21 THR A 18 -1.120 -8.634 10.219 1.00 0.89 H new ATOM 0 HG22 THR A 18 -0.425 -7.396 9.147 1.00 0.89 H new ATOM 0 HG23 THR A 18 0.406 -7.832 10.659 1.00 0.89 H new ATOM 271 N THR A 19 1.522 -5.074 9.800 1.00 0.74 N ATOM 272 CA THR A 19 2.981 -5.146 9.750 1.00 0.77 C ATOM 273 C THR A 19 3.636 -4.095 10.665 1.00 0.75 C ATOM 274 O THR A 19 4.640 -4.379 11.315 1.00 0.91 O ATOM 275 CB THR A 19 3.486 -5.127 8.298 1.00 0.85 C ATOM 276 OG1 THR A 19 3.496 -3.820 7.769 1.00 2.84 O ATOM 277 CG2 THR A 19 4.899 -5.702 8.207 1.00 1.11 C ATOM 0 H THR A 19 1.074 -4.881 8.904 1.00 0.74 H new ATOM 0 HA THR A 19 3.296 -6.106 10.158 1.00 0.77 H new ATOM 0 HB THR A 19 2.798 -5.741 7.717 1.00 0.85 H new ATOM 0 HG1 THR A 19 2.589 -3.451 7.793 1.00 2.84 H new ATOM 0 HG21 THR A 19 5.235 -5.678 7.170 1.00 1.11 H new ATOM 0 HG22 THR A 19 5.574 -5.107 8.821 1.00 1.11 H new ATOM 0 HG23 THR A 19 4.896 -6.732 8.564 1.00 1.11 H new ATOM 285 N PHE A 20 3.030 -2.906 10.799 1.00 0.70 N ATOM 286 CA PHE A 20 3.437 -1.923 11.815 1.00 0.75 C ATOM 287 C PHE A 20 3.536 -2.535 13.221 1.00 0.89 C ATOM 288 O PHE A 20 4.383 -2.127 14.012 1.00 0.99 O ATOM 289 CB PHE A 20 2.474 -0.726 11.875 1.00 0.79 C ATOM 290 CG PHE A 20 2.459 0.152 10.642 1.00 0.69 C ATOM 291 CD1 PHE A 20 1.716 -0.256 9.525 1.00 1.94 C ATOM 292 CD2 PHE A 20 3.144 1.383 10.610 1.00 2.19 C ATOM 293 CE1 PHE A 20 1.731 0.498 8.344 1.00 1.98 C ATOM 294 CE2 PHE A 20 3.113 2.163 9.442 1.00 2.15 C ATOM 295 CZ PHE A 20 2.444 1.702 8.301 1.00 0.72 C ATOM 0 H PHE A 20 2.253 -2.601 10.214 1.00 0.70 H new ATOM 0 HA PHE A 20 4.425 -1.584 11.505 1.00 0.75 H new ATOM 0 HB2 PHE A 20 1.465 -1.100 12.047 1.00 0.79 H new ATOM 0 HB3 PHE A 20 2.737 -0.111 12.736 1.00 0.79 H new ATOM 0 HD1 PHE A 20 1.127 -1.160 9.575 1.00 1.94 H new ATOM 0 HD2 PHE A 20 3.689 1.725 11.478 1.00 2.19 H new ATOM 0 HE1 PHE A 20 1.196 0.152 7.472 1.00 1.98 H new ATOM 0 HE2 PHE A 20 3.608 3.123 9.424 1.00 2.15 H new ATOM 0 HZ PHE A 20 2.478 2.276 7.387 1.00 0.72 H new ATOM 305 N PHE A 21 2.641 -3.471 13.553 1.00 0.98 N ATOM 306 CA PHE A 21 2.701 -4.245 14.788 1.00 1.21 C ATOM 307 C PHE A 21 3.778 -5.308 14.685 1.00 1.33 C ATOM 308 O PHE A 21 4.624 -5.406 15.573 1.00 1.61 O ATOM 309 CB PHE A 21 1.308 -4.794 15.155 1.00 1.20 C ATOM 310 CG PHE A 21 1.267 -6.066 15.986 1.00 2.13 C ATOM 311 CD1 PHE A 21 2.045 -6.192 17.153 1.00 2.99 C ATOM 312 CD2 PHE A 21 0.438 -7.133 15.585 1.00 3.44 C ATOM 313 CE1 PHE A 21 2.023 -7.385 17.894 1.00 4.02 C ATOM 314 CE2 PHE A 21 0.402 -8.319 16.338 1.00 4.63 C ATOM 315 CZ PHE A 21 1.197 -8.447 17.490 1.00 4.62 C ATOM 0 H PHE A 21 1.846 -3.712 12.961 1.00 0.98 H new ATOM 0 HA PHE A 21 2.989 -3.599 15.618 1.00 1.21 H new ATOM 0 HB2 PHE A 21 0.769 -4.017 15.697 1.00 1.20 H new ATOM 0 HB3 PHE A 21 0.760 -4.975 14.230 1.00 1.20 H new ATOM 0 HD1 PHE A 21 2.661 -5.368 17.480 1.00 2.99 H new ATOM 0 HD2 PHE A 21 -0.170 -7.039 14.698 1.00 3.44 H new ATOM 0 HE1 PHE A 21 2.641 -7.486 18.774 1.00 4.02 H new ATOM 0 HE2 PHE A 21 -0.238 -9.133 16.031 1.00 4.63 H new ATOM 0 HZ PHE A 21 1.173 -9.361 18.064 1.00 4.62 H new ATOM 325 N THR A 22 3.752 -6.103 13.619 1.00 1.27 N ATOM 326 CA THR A 22 4.603 -7.272 13.530 1.00 1.55 C ATOM 327 C THR A 22 5.615 -7.241 12.368 1.00 2.07 C ATOM 328 O THR A 22 5.242 -7.277 11.202 1.00 2.38 O ATOM 329 CB THR A 22 3.725 -8.523 13.537 1.00 1.70 C ATOM 330 OG1 THR A 22 3.179 -8.724 14.825 1.00 2.33 O ATOM 331 CG2 THR A 22 2.589 -8.541 12.510 1.00 2.51 C ATOM 0 H THR A 22 3.150 -5.954 12.809 1.00 1.27 H new ATOM 0 HA THR A 22 5.248 -7.283 14.408 1.00 1.55 H new ATOM 0 HB THR A 22 4.398 -9.331 13.250 1.00 1.70 H new ATOM 0 HG1 THR A 22 2.338 -8.227 14.905 1.00 2.33 H new ATOM 0 HG21 THR A 22 2.030 -9.472 12.602 1.00 2.51 H new ATOM 0 HG22 THR A 22 1.922 -7.698 12.691 1.00 2.51 H new ATOM 0 HG23 THR A 22 3.005 -8.465 11.506 1.00 2.51 H new ATOM 478 N ASP A 31 2.929 3.678 15.053 1.00 1.51 N ATOM 479 CA ASP A 31 2.082 4.481 14.184 1.00 1.15 C ATOM 480 C ASP A 31 2.729 5.825 13.833 1.00 2.34 C ATOM 481 O ASP A 31 2.156 6.865 14.152 1.00 4.50 O ATOM 482 CB ASP A 31 1.633 3.702 12.944 1.00 2.50 C ATOM 483 CG ASP A 31 0.349 4.309 12.410 1.00 2.39 C ATOM 484 OD1 ASP A 31 0.464 5.231 11.575 1.00 2.84 O ATOM 485 OD2 ASP A 31 -0.727 3.843 12.840 1.00 3.07 O ATOM 0 HA ASP A 31 1.177 4.714 14.746 1.00 1.15 H new ATOM 0 HB2 ASP A 31 2.409 3.733 12.180 1.00 2.50 H new ATOM 0 HB3 ASP A 31 1.476 2.653 13.196 1.00 2.50 H new ATOM 490 N SER A 32 3.908 5.880 13.199 1.00 1.71 N ATOM 491 CA SER A 32 4.819 4.845 12.720 1.00 1.45 C ATOM 492 C SER A 32 6.207 5.115 13.327 1.00 1.32 C ATOM 493 O SER A 32 6.315 5.600 14.453 1.00 1.54 O ATOM 494 CB SER A 32 4.866 4.924 11.183 1.00 1.28 C ATOM 495 OG SER A 32 5.602 3.846 10.632 1.00 1.97 O ATOM 0 H SER A 32 4.297 6.797 12.981 1.00 1.71 H new ATOM 0 HA SER A 32 4.490 3.848 13.014 1.00 1.45 H new ATOM 0 HB2 SER A 32 3.851 4.914 10.786 1.00 1.28 H new ATOM 0 HB3 SER A 32 5.318 5.868 10.879 1.00 1.28 H new ATOM 0 HG SER A 32 5.025 3.057 10.564 1.00 1.97 H new ATOM 501 N LEU A 33 7.263 4.826 12.563 1.00 1.20 N ATOM 502 CA LEU A 33 8.642 5.173 12.860 1.00 1.09 C ATOM 503 C LEU A 33 8.884 6.606 12.372 1.00 0.87 C ATOM 504 O LEU A 33 7.948 7.322 12.006 1.00 0.95 O ATOM 505 CB LEU A 33 9.603 4.197 12.144 1.00 1.14 C ATOM 506 CG LEU A 33 9.427 2.697 12.431 1.00 1.26 C ATOM 507 CD1 LEU A 33 9.281 2.383 13.924 1.00 1.64 C ATOM 508 CD2 LEU A 33 8.273 2.096 11.630 1.00 1.26 C ATOM 0 H LEU A 33 7.169 4.321 11.682 1.00 1.20 H new ATOM 0 HA LEU A 33 8.826 5.103 13.932 1.00 1.09 H new ATOM 0 HB2 LEU A 33 9.500 4.349 11.070 1.00 1.14 H new ATOM 0 HB3 LEU A 33 10.624 4.474 12.409 1.00 1.14 H new ATOM 0 HG LEU A 33 10.351 2.223 12.101 1.00 1.26 H new ATOM 0 HD11 LEU A 33 9.160 1.308 14.060 1.00 1.64 H new ATOM 0 HD12 LEU A 33 10.172 2.718 14.455 1.00 1.64 H new ATOM 0 HD13 LEU A 33 8.407 2.899 14.321 1.00 1.64 H new ATOM 0 HD21 LEU A 33 8.183 1.035 11.862 1.00 1.26 H new ATOM 0 HD22 LEU A 33 7.345 2.605 11.891 1.00 1.26 H new ATOM 0 HD23 LEU A 33 8.467 2.219 10.564 1.00 1.26 H new ATOM 520 N SER A 34 10.154 7.005 12.325 1.00 0.74 N ATOM 521 CA SER A 34 10.562 8.283 11.765 1.00 0.65 C ATOM 522 C SER A 34 10.768 8.163 10.255 1.00 0.58 C ATOM 523 O SER A 34 10.731 7.069 9.693 1.00 0.59 O ATOM 524 CB SER A 34 11.798 8.821 12.496 1.00 0.74 C ATOM 525 OG SER A 34 11.639 8.638 13.890 1.00 1.40 O ATOM 0 H SER A 34 10.930 6.444 12.678 1.00 0.74 H new ATOM 0 HA SER A 34 9.767 9.013 11.917 1.00 0.65 H new ATOM 0 HB2 SER A 34 12.692 8.303 12.150 1.00 0.74 H new ATOM 0 HB3 SER A 34 11.935 9.879 12.271 1.00 0.74 H new ATOM 0 HG SER A 34 12.430 8.980 14.357 1.00 1.40 H new ATOM 531 N VAL A 35 10.970 9.293 9.581 1.00 0.61 N ATOM 532 CA VAL A 35 10.886 9.359 8.130 1.00 0.58 C ATOM 533 C VAL A 35 12.154 8.811 7.455 1.00 0.56 C ATOM 534 O VAL A 35 12.068 7.971 6.558 1.00 0.57 O ATOM 535 CB VAL A 35 10.585 10.813 7.767 1.00 0.73 C ATOM 536 CG1 VAL A 35 10.689 11.090 6.278 1.00 0.92 C ATOM 537 CG2 VAL A 35 9.178 11.224 8.228 1.00 0.84 C ATOM 0 H VAL A 35 11.195 10.183 10.026 1.00 0.61 H new ATOM 0 HA VAL A 35 10.087 8.719 7.756 1.00 0.58 H new ATOM 0 HB VAL A 35 11.345 11.399 8.285 1.00 0.73 H new ATOM 0 HG11 VAL A 35 10.464 12.139 6.086 1.00 0.92 H new ATOM 0 HG12 VAL A 35 11.700 10.868 5.936 1.00 0.92 H new ATOM 0 HG13 VAL A 35 9.978 10.462 5.741 1.00 0.92 H new ATOM 0 HG21 VAL A 35 8.995 12.263 7.955 1.00 0.84 H new ATOM 0 HG22 VAL A 35 8.437 10.586 7.747 1.00 0.84 H new ATOM 0 HG23 VAL A 35 9.103 11.115 9.310 1.00 0.84 H new ATOM 547 N ASN A 36 13.341 9.279 7.860 1.00 0.64 N ATOM 548 CA ASN A 36 14.585 8.737 7.305 1.00 0.74 C ATOM 549 C ASN A 36 14.682 7.257 7.665 1.00 0.68 C ATOM 550 O ASN A 36 14.857 6.427 6.778 1.00 0.70 O ATOM 551 CB ASN A 36 15.850 9.481 7.768 1.00 1.02 C ATOM 552 CG ASN A 36 16.691 9.892 6.558 1.00 2.15 C ATOM 553 OD1 ASN A 36 17.505 9.130 6.054 1.00 2.94 O ATOM 554 ND2 ASN A 36 16.479 11.102 6.045 1.00 2.58 N ATOM 0 H ASN A 36 13.465 10.016 8.555 1.00 0.64 H new ATOM 0 HA ASN A 36 14.541 8.875 6.225 1.00 0.74 H new ATOM 0 HB2 ASN A 36 15.572 10.364 8.344 1.00 1.02 H new ATOM 0 HB3 ASN A 36 16.436 8.842 8.428 1.00 1.02 H new ATOM 0 HD21 ASN A 36 16.998 11.405 5.221 1.00 2.58 H new ATOM 0 HD22 ASN A 36 15.797 11.726 6.476 1.00 2.58 H new ATOM 561 N GLU A 37 14.466 6.959 8.955 1.00 0.70 N ATOM 562 CA GLU A 37 14.347 5.615 9.507 1.00 0.71 C ATOM 563 C GLU A 37 13.504 4.757 8.563 1.00 0.63 C ATOM 564 O GLU A 37 13.979 3.759 8.037 1.00 0.66 O ATOM 565 CB GLU A 37 13.747 5.721 10.921 1.00 0.85 C ATOM 566 CG GLU A 37 13.486 4.382 11.624 1.00 1.14 C ATOM 567 CD GLU A 37 14.767 3.628 11.952 1.00 2.34 C ATOM 568 OE1 GLU A 37 15.582 4.211 12.696 1.00 3.11 O ATOM 569 OE2 GLU A 37 14.887 2.479 11.479 1.00 3.47 O ATOM 0 H GLU A 37 14.366 7.683 9.666 1.00 0.70 H new ATOM 0 HA GLU A 37 15.319 5.129 9.595 1.00 0.71 H new ATOM 0 HB2 GLU A 37 14.421 6.313 11.541 1.00 0.85 H new ATOM 0 HB3 GLU A 37 12.807 6.269 10.859 1.00 0.85 H new ATOM 0 HG2 GLU A 37 12.930 4.562 12.544 1.00 1.14 H new ATOM 0 HG3 GLU A 37 12.856 3.760 10.988 1.00 1.14 H new ATOM 576 N PHE A 38 12.269 5.179 8.281 1.00 0.59 N ATOM 577 CA PHE A 38 11.437 4.561 7.259 1.00 0.58 C ATOM 578 C PHE A 38 12.179 4.334 5.930 1.00 0.56 C ATOM 579 O PHE A 38 12.156 3.209 5.429 1.00 0.61 O ATOM 580 CB PHE A 38 10.141 5.357 7.074 1.00 0.58 C ATOM 581 CG PHE A 38 9.463 5.133 5.739 1.00 0.67 C ATOM 582 CD1 PHE A 38 8.706 3.970 5.522 1.00 1.45 C ATOM 583 CD2 PHE A 38 9.728 6.006 4.667 1.00 1.86 C ATOM 584 CE1 PHE A 38 8.159 3.717 4.253 1.00 1.48 C ATOM 585 CE2 PHE A 38 9.264 5.698 3.379 1.00 2.01 C ATOM 586 CZ PHE A 38 8.451 4.571 3.177 1.00 1.07 C ATOM 0 H PHE A 38 11.822 5.961 8.759 1.00 0.59 H new ATOM 0 HA PHE A 38 11.177 3.563 7.612 1.00 0.58 H new ATOM 0 HB2 PHE A 38 9.447 5.091 7.871 1.00 0.58 H new ATOM 0 HB3 PHE A 38 10.361 6.419 7.184 1.00 0.58 H new ATOM 0 HD1 PHE A 38 8.545 3.271 6.330 1.00 1.45 H new ATOM 0 HD2 PHE A 38 10.289 6.913 4.836 1.00 1.86 H new ATOM 0 HE1 PHE A 38 7.513 2.864 4.105 1.00 1.48 H new ATOM 0 HE2 PHE A 38 9.532 6.327 2.543 1.00 2.01 H new ATOM 0 HZ PHE A 38 8.051 4.361 2.196 1.00 1.07 H new ATOM 596 N LYS A 39 12.805 5.357 5.323 1.00 0.56 N ATOM 597 CA LYS A 39 13.444 5.151 4.020 1.00 0.60 C ATOM 598 C LYS A 39 14.527 4.066 4.106 1.00 0.65 C ATOM 599 O LYS A 39 14.605 3.177 3.252 1.00 0.67 O ATOM 600 CB LYS A 39 13.986 6.437 3.354 1.00 0.82 C ATOM 601 CG LYS A 39 14.010 6.233 1.816 1.00 1.54 C ATOM 602 CD LYS A 39 15.388 6.267 1.131 1.00 2.37 C ATOM 603 CE LYS A 39 15.197 5.812 -0.335 1.00 3.86 C ATOM 604 NZ LYS A 39 16.445 5.700 -1.120 1.00 5.08 N ATOM 0 H LYS A 39 12.880 6.302 5.700 1.00 0.56 H new ATOM 0 HA LYS A 39 12.647 4.810 3.359 1.00 0.60 H new ATOM 0 HB2 LYS A 39 13.357 7.289 3.612 1.00 0.82 H new ATOM 0 HB3 LYS A 39 14.988 6.658 3.721 1.00 0.82 H new ATOM 0 HG2 LYS A 39 13.544 5.273 1.594 1.00 1.54 H new ATOM 0 HG3 LYS A 39 13.386 7.003 1.362 1.00 1.54 H new ATOM 0 HD2 LYS A 39 15.808 7.272 1.168 1.00 2.37 H new ATOM 0 HD3 LYS A 39 16.088 5.610 1.647 1.00 2.37 H new ATOM 0 HE2 LYS A 39 14.696 4.844 -0.337 1.00 3.86 H new ATOM 0 HE3 LYS A 39 14.532 6.517 -0.835 1.00 3.86 H new ATOM 0 HZ1 LYS A 39 16.212 5.540 -2.121 1.00 5.08 H new ATOM 0 HZ2 LYS A 39 16.993 6.579 -1.028 1.00 5.08 H new ATOM 0 HZ3 LYS A 39 17.009 4.902 -0.764 1.00 5.08 H new ATOM 618 N GLU A 40 15.358 4.153 5.147 1.00 0.73 N ATOM 619 CA GLU A 40 16.408 3.194 5.447 1.00 0.82 C ATOM 620 C GLU A 40 15.805 1.791 5.588 1.00 0.85 C ATOM 621 O GLU A 40 16.236 0.851 4.918 1.00 1.06 O ATOM 622 CB GLU A 40 17.163 3.655 6.702 1.00 0.94 C ATOM 623 CG GLU A 40 17.890 4.984 6.440 1.00 1.00 C ATOM 624 CD GLU A 40 18.465 5.568 7.723 1.00 1.83 C ATOM 625 OE1 GLU A 40 19.587 5.143 8.076 1.00 2.26 O ATOM 626 OE2 GLU A 40 17.776 6.423 8.321 1.00 3.20 O ATOM 0 H GLU A 40 15.312 4.918 5.821 1.00 0.73 H new ATOM 0 HA GLU A 40 17.131 3.142 4.633 1.00 0.82 H new ATOM 0 HB2 GLU A 40 16.464 3.774 7.530 1.00 0.94 H new ATOM 0 HB3 GLU A 40 17.883 2.893 7.000 1.00 0.94 H new ATOM 0 HG2 GLU A 40 18.693 4.825 5.720 1.00 1.00 H new ATOM 0 HG3 GLU A 40 17.197 5.697 5.993 1.00 1.00 H new ATOM 633 N LEU A 41 14.772 1.656 6.420 1.00 0.75 N ATOM 634 CA LEU A 41 14.040 0.414 6.602 1.00 0.79 C ATOM 635 C LEU A 41 13.567 -0.126 5.256 1.00 0.76 C ATOM 636 O LEU A 41 13.910 -1.251 4.919 1.00 0.87 O ATOM 637 CB LEU A 41 12.871 0.586 7.584 1.00 0.83 C ATOM 638 CG LEU A 41 13.311 0.723 9.052 1.00 1.20 C ATOM 639 CD1 LEU A 41 12.107 1.163 9.893 1.00 2.45 C ATOM 640 CD2 LEU A 41 13.852 -0.590 9.635 1.00 1.93 C ATOM 0 H LEU A 41 14.419 2.422 6.993 1.00 0.75 H new ATOM 0 HA LEU A 41 14.717 -0.318 7.042 1.00 0.79 H new ATOM 0 HB2 LEU A 41 12.298 1.469 7.302 1.00 0.83 H new ATOM 0 HB3 LEU A 41 12.203 -0.270 7.493 1.00 0.83 H new ATOM 0 HG LEU A 41 14.115 1.458 9.081 1.00 1.20 H new ATOM 0 HD11 LEU A 41 12.409 1.263 10.936 1.00 2.45 H new ATOM 0 HD12 LEU A 41 11.739 2.122 9.528 1.00 2.45 H new ATOM 0 HD13 LEU A 41 11.316 0.417 9.814 1.00 2.45 H new ATOM 0 HD21 LEU A 41 14.147 -0.433 10.673 1.00 1.93 H new ATOM 0 HD22 LEU A 41 13.077 -1.355 9.590 1.00 1.93 H new ATOM 0 HD23 LEU A 41 14.717 -0.916 9.057 1.00 1.93 H new ATOM 652 N VAL A 42 12.814 0.630 4.449 1.00 0.68 N ATOM 653 CA VAL A 42 12.337 0.059 3.191 1.00 0.68 C ATOM 654 C VAL A 42 13.499 -0.384 2.295 1.00 0.72 C ATOM 655 O VAL A 42 13.481 -1.513 1.811 1.00 0.77 O ATOM 656 CB VAL A 42 11.278 0.907 2.467 1.00 0.66 C ATOM 657 CG1 VAL A 42 10.026 1.053 3.339 1.00 1.31 C ATOM 658 CG2 VAL A 42 11.769 2.286 2.032 1.00 1.41 C ATOM 0 H VAL A 42 12.534 1.593 4.633 1.00 0.68 H new ATOM 0 HA VAL A 42 11.790 -0.844 3.460 1.00 0.68 H new ATOM 0 HB VAL A 42 11.043 0.365 1.551 1.00 0.66 H new ATOM 0 HG11 VAL A 42 9.285 1.656 2.814 1.00 1.31 H new ATOM 0 HG12 VAL A 42 9.610 0.067 3.547 1.00 1.31 H new ATOM 0 HG13 VAL A 42 10.291 1.540 4.277 1.00 1.31 H new ATOM 0 HG21 VAL A 42 10.961 2.818 1.530 1.00 1.41 H new ATOM 0 HG22 VAL A 42 12.087 2.852 2.908 1.00 1.41 H new ATOM 0 HG23 VAL A 42 12.610 2.174 1.348 1.00 1.41 H new ATOM 668 N THR A 43 14.540 0.434 2.094 1.00 0.75 N ATOM 669 CA THR A 43 15.638 -0.034 1.247 1.00 0.81 C ATOM 670 C THR A 43 16.293 -1.295 1.826 1.00 0.89 C ATOM 671 O THR A 43 16.726 -2.163 1.072 1.00 1.00 O ATOM 672 CB THR A 43 16.658 1.065 0.912 1.00 0.97 C ATOM 673 OG1 THR A 43 17.492 0.635 -0.145 1.00 1.32 O ATOM 674 CG2 THR A 43 17.539 1.474 2.092 1.00 1.14 C ATOM 0 H THR A 43 14.643 1.371 2.483 1.00 0.75 H new ATOM 0 HA THR A 43 15.196 -0.311 0.290 1.00 0.81 H new ATOM 0 HB THR A 43 16.073 1.940 0.630 1.00 0.97 H new ATOM 0 HG1 THR A 43 18.140 1.339 -0.357 1.00 1.32 H new ATOM 0 HG21 THR A 43 18.232 2.253 1.776 1.00 1.14 H new ATOM 0 HG22 THR A 43 16.913 1.852 2.900 1.00 1.14 H new ATOM 0 HG23 THR A 43 18.102 0.609 2.443 1.00 1.14 H new ATOM 682 N GLN A 44 16.374 -1.398 3.155 1.00 0.93 N ATOM 683 CA GLN A 44 16.926 -2.561 3.827 1.00 1.06 C ATOM 684 C GLN A 44 16.024 -3.787 3.622 1.00 1.05 C ATOM 685 O GLN A 44 16.509 -4.885 3.361 1.00 1.15 O ATOM 686 CB GLN A 44 17.087 -2.219 5.312 1.00 1.17 C ATOM 687 CG GLN A 44 17.922 -3.256 6.056 1.00 1.28 C ATOM 688 CD GLN A 44 17.728 -3.095 7.558 1.00 1.92 C ATOM 689 OE1 GLN A 44 16.869 -3.748 8.143 1.00 2.74 O ATOM 690 NE2 GLN A 44 18.493 -2.210 8.189 1.00 2.82 N ATOM 0 H GLN A 44 16.055 -0.669 3.792 1.00 0.93 H new ATOM 0 HA GLN A 44 17.899 -2.816 3.406 1.00 1.06 H new ATOM 0 HB2 GLN A 44 17.557 -1.240 5.409 1.00 1.17 H new ATOM 0 HB3 GLN A 44 16.103 -2.148 5.775 1.00 1.17 H new ATOM 0 HG2 GLN A 44 17.630 -4.260 5.748 1.00 1.28 H new ATOM 0 HG3 GLN A 44 18.975 -3.138 5.802 1.00 1.28 H new ATOM 0 HE21 GLN A 44 19.198 -1.684 7.672 1.00 2.82 H new ATOM 0 HE22 GLN A 44 18.376 -2.057 9.191 1.00 2.82 H new ATOM 699 N GLN A 45 14.712 -3.601 3.774 1.00 0.98 N ATOM 700 CA GLN A 45 13.699 -4.642 3.678 1.00 0.98 C ATOM 701 C GLN A 45 13.556 -5.133 2.253 1.00 0.95 C ATOM 702 O GLN A 45 13.201 -6.295 2.077 1.00 1.07 O ATOM 703 CB GLN A 45 12.346 -4.137 4.195 1.00 0.97 C ATOM 704 CG GLN A 45 12.246 -4.322 5.723 1.00 1.10 C ATOM 705 CD GLN A 45 13.345 -3.704 6.592 1.00 1.33 C ATOM 706 OE1 GLN A 45 13.124 -2.683 7.232 1.00 2.13 O ATOM 707 NE2 GLN A 45 14.497 -4.362 6.710 1.00 2.07 N ATOM 0 H GLN A 45 14.315 -2.683 3.975 1.00 0.98 H new ATOM 0 HA GLN A 45 14.024 -5.475 4.301 1.00 0.98 H new ATOM 0 HB2 GLN A 45 12.224 -3.084 3.942 1.00 0.97 H new ATOM 0 HB3 GLN A 45 11.538 -4.679 3.704 1.00 0.97 H new ATOM 0 HG2 GLN A 45 11.291 -3.910 6.048 1.00 1.10 H new ATOM 0 HG3 GLN A 45 12.218 -5.392 5.929 1.00 1.10 H new ATOM 0 HE21 GLN A 45 14.658 -5.210 6.167 1.00 2.07 H new ATOM 0 HE22 GLN A 45 15.218 -4.018 7.344 1.00 2.07 H new ATOM 716 N LEU A 46 13.816 -4.256 1.279 1.00 0.86 N ATOM 717 CA LEU A 46 13.785 -4.574 -0.135 1.00 0.88 C ATOM 718 C LEU A 46 15.197 -4.672 -0.732 1.00 0.98 C ATOM 719 O LEU A 46 15.574 -3.825 -1.542 1.00 1.13 O ATOM 720 CB LEU A 46 12.954 -3.522 -0.890 1.00 0.87 C ATOM 721 CG LEU A 46 11.446 -3.517 -0.593 1.00 0.95 C ATOM 722 CD1 LEU A 46 11.025 -2.606 0.561 1.00 1.20 C ATOM 723 CD2 LEU A 46 10.659 -3.124 -1.847 1.00 1.39 C ATOM 0 H LEU A 46 14.059 -3.283 1.466 1.00 0.86 H new ATOM 0 HA LEU A 46 13.318 -5.553 -0.247 1.00 0.88 H new ATOM 0 HB2 LEU A 46 13.354 -2.535 -0.656 1.00 0.87 H new ATOM 0 HB3 LEU A 46 13.093 -3.677 -1.960 1.00 0.87 H new ATOM 0 HG LEU A 46 11.215 -4.537 -0.284 1.00 0.95 H new ATOM 0 HD11 LEU A 46 9.945 -2.667 0.697 1.00 1.20 H new ATOM 0 HD12 LEU A 46 11.525 -2.923 1.476 1.00 1.20 H new ATOM 0 HD13 LEU A 46 11.304 -1.577 0.333 1.00 1.20 H new ATOM 0 HD21 LEU A 46 9.592 -3.125 -1.622 1.00 1.39 H new ATOM 0 HD22 LEU A 46 10.961 -2.128 -2.169 1.00 1.39 H new ATOM 0 HD23 LEU A 46 10.862 -3.840 -2.643 1.00 1.39 H new ATOM 735 N PRO A 47 15.975 -5.734 -0.461 1.00 1.05 N ATOM 736 CA PRO A 47 17.263 -5.950 -1.108 1.00 1.14 C ATOM 737 C PRO A 47 17.076 -6.602 -2.490 1.00 0.99 C ATOM 738 O PRO A 47 17.915 -7.397 -2.923 1.00 1.06 O ATOM 739 CB PRO A 47 17.998 -6.887 -0.147 1.00 1.42 C ATOM 740 CG PRO A 47 16.859 -7.805 0.293 1.00 1.42 C ATOM 741 CD PRO A 47 15.690 -6.833 0.446 1.00 1.19 C ATOM 0 HA PRO A 47 17.810 -5.025 -1.290 1.00 1.14 H new ATOM 0 HB2 PRO A 47 18.802 -7.434 -0.639 1.00 1.42 H new ATOM 0 HB3 PRO A 47 18.443 -6.351 0.691 1.00 1.42 H new ATOM 0 HG2 PRO A 47 16.651 -8.577 -0.448 1.00 1.42 H new ATOM 0 HG3 PRO A 47 17.088 -8.315 1.229 1.00 1.42 H new ATOM 0 HD2 PRO A 47 14.745 -7.314 0.194 1.00 1.19 H new ATOM 0 HD3 PRO A 47 15.605 -6.481 1.474 1.00 1.19 H new ATOM 749 N HIS A 48 15.966 -6.314 -3.178 1.00 1.01 N ATOM 750 CA HIS A 48 15.702 -6.852 -4.499 1.00 1.05 C ATOM 751 C HIS A 48 16.454 -6.033 -5.550 1.00 1.14 C ATOM 752 O HIS A 48 17.138 -6.603 -6.397 1.00 2.18 O ATOM 753 CB HIS A 48 14.194 -6.923 -4.758 1.00 1.24 C ATOM 754 CG HIS A 48 13.895 -7.722 -5.998 1.00 1.95 C ATOM 755 ND1 HIS A 48 13.990 -9.093 -6.105 1.00 3.05 N ATOM 756 CD2 HIS A 48 13.730 -7.217 -7.259 1.00 2.62 C ATOM 757 CE1 HIS A 48 13.886 -9.399 -7.410 1.00 3.97 C ATOM 758 NE2 HIS A 48 13.715 -8.289 -8.153 1.00 3.71 N ATOM 0 H HIS A 48 15.231 -5.700 -2.827 1.00 1.01 H new ATOM 0 HA HIS A 48 16.072 -7.875 -4.564 1.00 1.05 H new ATOM 0 HB2 HIS A 48 13.695 -7.376 -3.901 1.00 1.24 H new ATOM 0 HB3 HIS A 48 13.792 -5.915 -4.865 1.00 1.24 H new ATOM 0 HD1 HIS A 48 14.116 -9.752 -5.337 1.00 3.05 H new ATOM 0 HD2 HIS A 48 13.629 -6.173 -7.517 1.00 2.62 H new ATOM 0 HE1 HIS A 48 13.933 -10.401 -7.809 1.00 3.97 H new ATOM 766 N LEU A 49 16.348 -4.696 -5.494 1.00 1.24 N ATOM 767 CA LEU A 49 17.138 -3.825 -6.364 1.00 1.37 C ATOM 768 C LEU A 49 17.229 -2.394 -5.815 1.00 1.39 C ATOM 769 O LEU A 49 18.323 -1.932 -5.509 1.00 1.53 O ATOM 770 CB LEU A 49 16.580 -3.853 -7.801 1.00 1.49 C ATOM 771 CG LEU A 49 17.688 -3.932 -8.863 1.00 1.74 C ATOM 772 CD1 LEU A 49 17.046 -3.994 -10.253 1.00 2.64 C ATOM 773 CD2 LEU A 49 18.649 -2.739 -8.793 1.00 3.15 C ATOM 0 H LEU A 49 15.724 -4.201 -4.857 1.00 1.24 H new ATOM 0 HA LEU A 49 18.157 -4.210 -6.389 1.00 1.37 H new ATOM 0 HB2 LEU A 49 15.914 -4.709 -7.912 1.00 1.49 H new ATOM 0 HB3 LEU A 49 15.981 -2.959 -7.972 1.00 1.49 H new ATOM 0 HG LEU A 49 18.273 -4.831 -8.669 1.00 1.74 H new ATOM 0 HD11 LEU A 49 17.826 -4.050 -11.012 1.00 2.64 H new ATOM 0 HD12 LEU A 49 16.410 -4.876 -10.321 1.00 2.64 H new ATOM 0 HD13 LEU A 49 16.445 -3.100 -10.416 1.00 2.64 H new ATOM 0 HD21 LEU A 49 19.413 -2.842 -9.563 1.00 3.15 H new ATOM 0 HD22 LEU A 49 18.094 -1.815 -8.953 1.00 3.15 H new ATOM 0 HD23 LEU A 49 19.124 -2.711 -7.812 1.00 3.15 H new ATOM 785 N LEU A 50 16.089 -1.702 -5.681 1.00 1.39 N ATOM 786 CA LEU A 50 16.011 -0.329 -5.166 1.00 1.47 C ATOM 787 C LEU A 50 16.882 0.602 -6.006 1.00 1.45 C ATOM 788 O LEU A 50 17.855 1.206 -5.562 1.00 1.64 O ATOM 789 CB LEU A 50 16.262 -0.288 -3.651 1.00 1.76 C ATOM 790 CG LEU A 50 14.995 -0.588 -2.823 1.00 2.41 C ATOM 791 CD1 LEU A 50 14.183 0.684 -2.551 1.00 3.60 C ATOM 792 CD2 LEU A 50 14.060 -1.633 -3.447 1.00 3.02 C ATOM 0 H LEU A 50 15.179 -2.088 -5.932 1.00 1.39 H new ATOM 0 HA LEU A 50 14.997 0.056 -5.276 1.00 1.47 H new ATOM 0 HB2 LEU A 50 17.036 -1.012 -3.397 1.00 1.76 H new ATOM 0 HB3 LEU A 50 16.644 0.696 -3.378 1.00 1.76 H new ATOM 0 HG LEU A 50 15.381 -1.005 -1.893 1.00 2.41 H new ATOM 0 HD11 LEU A 50 13.299 0.433 -1.966 1.00 3.60 H new ATOM 0 HD12 LEU A 50 14.795 1.395 -1.996 1.00 3.60 H new ATOM 0 HD13 LEU A 50 13.877 1.130 -3.497 1.00 3.60 H new ATOM 0 HD21 LEU A 50 13.196 -1.782 -2.799 1.00 3.02 H new ATOM 0 HD22 LEU A 50 13.725 -1.284 -4.424 1.00 3.02 H new ATOM 0 HD23 LEU A 50 14.594 -2.576 -3.562 1.00 3.02 H new ATOM 804 N LYS A 51 16.486 0.681 -7.278 1.00 1.36 N ATOM 805 CA LYS A 51 17.080 1.549 -8.276 1.00 1.49 C ATOM 806 C LYS A 51 16.724 3.022 -8.047 1.00 1.52 C ATOM 807 O LYS A 51 17.516 3.882 -8.417 1.00 1.63 O ATOM 808 CB LYS A 51 16.675 1.064 -9.671 1.00 1.56 C ATOM 809 CG LYS A 51 15.160 1.154 -9.919 1.00 1.49 C ATOM 810 CD LYS A 51 14.738 2.442 -10.644 1.00 1.74 C ATOM 811 CE LYS A 51 14.851 2.359 -12.175 1.00 1.98 C ATOM 812 NZ LYS A 51 16.251 2.375 -12.646 1.00 2.43 N ATOM 0 H LYS A 51 15.717 0.121 -7.646 1.00 1.36 H new ATOM 0 HA LYS A 51 18.165 1.494 -8.188 1.00 1.49 H new ATOM 0 HB2 LYS A 51 17.197 1.657 -10.422 1.00 1.56 H new ATOM 0 HB3 LYS A 51 16.998 0.031 -9.799 1.00 1.56 H new ATOM 0 HG2 LYS A 51 14.844 0.293 -10.508 1.00 1.49 H new ATOM 0 HG3 LYS A 51 14.638 1.095 -8.964 1.00 1.49 H new ATOM 0 HD2 LYS A 51 13.707 2.677 -10.377 1.00 1.74 H new ATOM 0 HD3 LYS A 51 15.355 3.267 -10.288 1.00 1.74 H new ATOM 0 HE2 LYS A 51 14.366 1.447 -12.522 1.00 1.98 H new ATOM 0 HE3 LYS A 51 14.313 3.195 -12.621 1.00 1.98 H new ATOM 0 HZ1 LYS A 51 16.275 2.622 -13.656 1.00 2.43 H new ATOM 0 HZ2 LYS A 51 16.792 3.079 -12.104 1.00 2.43 H new ATOM 0 HZ3 LYS A 51 16.674 1.435 -12.510 1.00 2.43 H new ATOM 826 N ASP A 52 15.527 3.295 -7.505 1.00 1.46 N ATOM 827 CA ASP A 52 15.142 4.567 -6.902 1.00 1.50 C ATOM 828 C ASP A 52 15.272 5.751 -7.870 1.00 1.44 C ATOM 829 O ASP A 52 16.316 6.396 -7.920 1.00 1.54 O ATOM 830 CB ASP A 52 15.931 4.812 -5.606 1.00 1.73 C ATOM 831 CG ASP A 52 15.599 3.880 -4.447 1.00 2.04 C ATOM 832 OD1 ASP A 52 15.136 2.751 -4.723 1.00 2.11 O ATOM 833 OD2 ASP A 52 15.829 4.325 -3.294 1.00 3.16 O ATOM 0 H ASP A 52 14.776 2.605 -7.477 1.00 1.46 H new ATOM 0 HA ASP A 52 14.083 4.494 -6.655 1.00 1.50 H new ATOM 0 HB2 ASP A 52 16.995 4.723 -5.827 1.00 1.73 H new ATOM 0 HB3 ASP A 52 15.757 5.839 -5.284 1.00 1.73 H new ATOM 838 N VAL A 53 14.208 6.084 -8.619 1.00 1.47 N ATOM 839 CA VAL A 53 14.228 7.243 -9.504 1.00 1.50 C ATOM 840 C VAL A 53 12.872 7.951 -9.580 1.00 1.51 C ATOM 841 O VAL A 53 11.817 7.316 -9.536 1.00 1.86 O ATOM 842 CB VAL A 53 14.770 6.831 -10.884 1.00 1.70 C ATOM 843 CG1 VAL A 53 13.772 5.975 -11.673 1.00 2.17 C ATOM 844 CG2 VAL A 53 15.154 8.062 -11.708 1.00 2.40 C ATOM 0 H VAL A 53 13.330 5.565 -8.624 1.00 1.47 H new ATOM 0 HA VAL A 53 14.905 7.986 -9.083 1.00 1.50 H new ATOM 0 HB VAL A 53 15.657 6.225 -10.700 1.00 1.70 H new ATOM 0 HG11 VAL A 53 14.203 5.711 -12.639 1.00 2.17 H new ATOM 0 HG12 VAL A 53 13.551 5.066 -11.114 1.00 2.17 H new ATOM 0 HG13 VAL A 53 12.852 6.539 -11.828 1.00 2.17 H new ATOM 0 HG21 VAL A 53 15.534 7.746 -12.679 1.00 2.40 H new ATOM 0 HG22 VAL A 53 14.277 8.693 -11.850 1.00 2.40 H new ATOM 0 HG23 VAL A 53 15.925 8.626 -11.183 1.00 2.40 H new ATOM 854 N GLY A 54 12.886 9.281 -9.697 1.00 1.62 N ATOM 855 CA GLY A 54 11.722 10.097 -9.978 1.00 1.74 C ATOM 856 C GLY A 54 10.936 10.333 -8.700 1.00 1.70 C ATOM 857 O GLY A 54 10.915 11.439 -8.165 1.00 1.94 O ATOM 0 H GLY A 54 13.740 9.829 -9.594 1.00 1.62 H new ATOM 0 HA2 GLY A 54 12.030 11.050 -10.407 1.00 1.74 H new ATOM 0 HA3 GLY A 54 11.091 9.604 -10.718 1.00 1.74 H new ATOM 861 N SER A 55 10.287 9.280 -8.198 1.00 1.50 N ATOM 862 CA SER A 55 9.633 9.382 -6.901 1.00 1.47 C ATOM 863 C SER A 55 10.641 9.205 -5.770 1.00 1.28 C ATOM 864 O SER A 55 10.392 9.666 -4.658 1.00 1.25 O ATOM 865 CB SER A 55 8.393 8.505 -6.801 1.00 1.67 C ATOM 866 OG SER A 55 7.460 8.921 -7.780 1.00 1.93 O ATOM 0 H SER A 55 10.203 8.373 -8.658 1.00 1.50 H new ATOM 0 HA SER A 55 9.241 10.393 -6.790 1.00 1.47 H new ATOM 0 HB2 SER A 55 8.658 7.459 -6.953 1.00 1.67 H new ATOM 0 HB3 SER A 55 7.955 8.582 -5.806 1.00 1.67 H new ATOM 0 HG SER A 55 7.012 9.739 -7.478 1.00 1.93 H new ATOM 872 N LEU A 56 11.810 8.626 -6.070 1.00 1.23 N ATOM 873 CA LEU A 56 12.987 8.818 -5.239 1.00 1.21 C ATOM 874 C LEU A 56 13.154 10.307 -5.006 1.00 1.30 C ATOM 875 O LEU A 56 13.146 10.741 -3.865 1.00 1.33 O ATOM 876 CB LEU A 56 14.231 8.238 -5.915 1.00 1.30 C ATOM 877 CG LEU A 56 15.572 8.465 -5.178 1.00 1.57 C ATOM 878 CD1 LEU A 56 16.182 9.863 -5.352 1.00 2.27 C ATOM 879 CD2 LEU A 56 15.490 8.102 -3.689 1.00 2.75 C ATOM 0 H LEU A 56 11.958 8.024 -6.880 1.00 1.23 H new ATOM 0 HA LEU A 56 12.862 8.298 -4.289 1.00 1.21 H new ATOM 0 HB2 LEU A 56 14.085 7.165 -6.040 1.00 1.30 H new ATOM 0 HB3 LEU A 56 14.311 8.667 -6.914 1.00 1.30 H new ATOM 0 HG LEU A 56 16.255 7.776 -5.675 1.00 1.57 H new ATOM 0 HD11 LEU A 56 17.119 9.923 -4.798 1.00 2.27 H new ATOM 0 HD12 LEU A 56 16.373 10.048 -6.409 1.00 2.27 H new ATOM 0 HD13 LEU A 56 15.488 10.613 -4.972 1.00 2.27 H new ATOM 0 HD21 LEU A 56 16.457 8.279 -3.218 1.00 2.75 H new ATOM 0 HD22 LEU A 56 14.732 8.718 -3.205 1.00 2.75 H new ATOM 0 HD23 LEU A 56 15.223 7.050 -3.585 1.00 2.75 H new ATOM 891 N ASP A 57 13.292 11.092 -6.075 1.00 1.42 N ATOM 892 CA ASP A 57 13.559 12.513 -5.984 1.00 1.56 C ATOM 893 C ASP A 57 12.535 13.189 -5.073 1.00 1.47 C ATOM 894 O ASP A 57 12.938 13.909 -4.156 1.00 1.54 O ATOM 895 CB ASP A 57 13.618 13.134 -7.388 1.00 1.82 C ATOM 896 CG ASP A 57 14.566 12.379 -8.319 1.00 2.61 C ATOM 897 OD1 ASP A 57 14.318 11.167 -8.532 1.00 3.91 O ATOM 898 OD2 ASP A 57 15.523 13.027 -8.788 1.00 3.44 O ATOM 0 H ASP A 57 13.220 10.749 -7.033 1.00 1.42 H new ATOM 0 HA ASP A 57 14.536 12.674 -5.528 1.00 1.56 H new ATOM 0 HB2 ASP A 57 12.618 13.142 -7.821 1.00 1.82 H new ATOM 0 HB3 ASP A 57 13.940 14.172 -7.310 1.00 1.82 H new ATOM 903 N GLU A 58 11.235 12.964 -5.317 1.00 1.45 N ATOM 904 CA GLU A 58 10.136 13.395 -4.449 1.00 1.44 C ATOM 905 C GLU A 58 10.383 13.008 -2.986 1.00 1.21 C ATOM 906 O GLU A 58 10.279 13.837 -2.079 1.00 1.25 O ATOM 907 CB GLU A 58 8.808 12.755 -4.883 1.00 1.60 C ATOM 908 CG GLU A 58 8.317 13.112 -6.290 1.00 1.84 C ATOM 909 CD GLU A 58 7.013 12.370 -6.574 1.00 3.04 C ATOM 910 OE1 GLU A 58 6.035 12.648 -5.845 1.00 4.24 O ATOM 911 OE2 GLU A 58 7.030 11.496 -7.471 1.00 3.88 O ATOM 0 H GLU A 58 10.914 12.464 -6.146 1.00 1.45 H new ATOM 0 HA GLU A 58 10.083 14.480 -4.538 1.00 1.44 H new ATOM 0 HB2 GLU A 58 8.912 11.672 -4.820 1.00 1.60 H new ATOM 0 HB3 GLU A 58 8.038 13.043 -4.167 1.00 1.60 H new ATOM 0 HG2 GLU A 58 8.162 14.188 -6.371 1.00 1.84 H new ATOM 0 HG3 GLU A 58 9.071 12.842 -7.030 1.00 1.84 H new ATOM 918 N LYS A 59 10.654 11.728 -2.744 1.00 1.06 N ATOM 919 CA LYS A 59 10.791 11.197 -1.402 1.00 0.94 C ATOM 920 C LYS A 59 12.011 11.784 -0.721 1.00 0.91 C ATOM 921 O LYS A 59 11.875 12.429 0.306 1.00 1.04 O ATOM 922 CB LYS A 59 10.823 9.668 -1.457 1.00 0.91 C ATOM 923 CG LYS A 59 9.364 9.242 -1.579 1.00 1.38 C ATOM 924 CD LYS A 59 9.111 7.775 -1.913 1.00 1.23 C ATOM 925 CE LYS A 59 10.095 6.748 -1.364 1.00 0.98 C ATOM 926 NZ LYS A 59 9.805 5.459 -2.012 1.00 1.84 N ATOM 0 H LYS A 59 10.784 11.033 -3.479 1.00 1.06 H new ATOM 0 HA LYS A 59 9.930 11.486 -0.799 1.00 0.94 H new ATOM 0 HB2 LYS A 59 11.408 9.317 -2.307 1.00 0.91 H new ATOM 0 HB3 LYS A 59 11.281 9.251 -0.560 1.00 0.91 H new ATOM 0 HG2 LYS A 59 8.862 9.470 -0.639 1.00 1.38 H new ATOM 0 HG3 LYS A 59 8.893 9.854 -2.348 1.00 1.38 H new ATOM 0 HD2 LYS A 59 8.116 7.514 -1.551 1.00 1.23 H new ATOM 0 HD3 LYS A 59 9.092 7.676 -2.998 1.00 1.23 H new ATOM 0 HE2 LYS A 59 11.121 7.055 -1.566 1.00 0.98 H new ATOM 0 HE3 LYS A 59 9.995 6.663 -0.282 1.00 0.98 H new ATOM 0 HZ1 LYS A 59 10.440 4.729 -1.632 1.00 1.84 H new ATOM 0 HZ2 LYS A 59 8.818 5.191 -1.825 1.00 1.84 H new ATOM 0 HZ3 LYS A 59 9.952 5.545 -3.038 1.00 1.84 H new ATOM 940 N MET A 60 13.186 11.578 -1.298 1.00 0.83 N ATOM 941 CA MET A 60 14.458 12.103 -0.832 1.00 0.89 C ATOM 942 C MET A 60 14.306 13.536 -0.322 1.00 0.93 C ATOM 943 O MET A 60 14.658 13.803 0.823 1.00 0.94 O ATOM 944 CB MET A 60 15.491 11.999 -1.960 1.00 1.04 C ATOM 945 CG MET A 60 16.881 12.467 -1.516 1.00 1.32 C ATOM 946 SD MET A 60 18.172 12.214 -2.760 1.00 1.82 S ATOM 947 CE MET A 60 19.591 12.890 -1.869 1.00 2.52 C ATOM 0 H MET A 60 13.281 11.014 -2.143 1.00 0.83 H new ATOM 0 HA MET A 60 14.810 11.510 0.012 1.00 0.89 H new ATOM 0 HB2 MET A 60 15.550 10.966 -2.303 1.00 1.04 H new ATOM 0 HB3 MET A 60 15.161 12.598 -2.809 1.00 1.04 H new ATOM 0 HG2 MET A 60 16.834 13.527 -1.266 1.00 1.32 H new ATOM 0 HG3 MET A 60 17.159 11.936 -0.605 1.00 1.32 H new ATOM 0 HE1 MET A 60 20.482 12.815 -2.493 1.00 2.52 H new ATOM 0 HE2 MET A 60 19.404 13.936 -1.628 1.00 2.52 H new ATOM 0 HE3 MET A 60 19.744 12.327 -0.948 1.00 2.52 H new ATOM 957 N LYS A 61 13.754 14.447 -1.135 1.00 0.99 N ATOM 958 CA LYS A 61 13.554 15.818 -0.667 1.00 1.06 C ATOM 959 C LYS A 61 12.583 15.860 0.521 1.00 1.03 C ATOM 960 O LYS A 61 12.910 16.406 1.570 1.00 1.01 O ATOM 961 CB LYS A 61 13.182 16.774 -1.811 1.00 1.23 C ATOM 962 CG LYS A 61 11.853 16.429 -2.496 1.00 1.62 C ATOM 963 CD LYS A 61 11.527 17.277 -3.725 1.00 2.09 C ATOM 964 CE LYS A 61 12.141 16.844 -5.072 1.00 2.09 C ATOM 965 NZ LYS A 61 13.535 16.370 -4.976 1.00 2.63 N ATOM 0 H LYS A 61 13.447 14.265 -2.091 1.00 0.99 H new ATOM 0 HA LYS A 61 14.507 16.190 -0.292 1.00 1.06 H new ATOM 0 HB2 LYS A 61 13.126 17.790 -1.420 1.00 1.23 H new ATOM 0 HB3 LYS A 61 13.978 16.763 -2.556 1.00 1.23 H new ATOM 0 HG2 LYS A 61 11.874 15.380 -2.791 1.00 1.62 H new ATOM 0 HG3 LYS A 61 11.047 16.540 -1.771 1.00 1.62 H new ATOM 0 HD2 LYS A 61 10.443 17.299 -3.841 1.00 2.09 H new ATOM 0 HD3 LYS A 61 11.847 18.299 -3.523 1.00 2.09 H new ATOM 0 HE2 LYS A 61 11.528 16.051 -5.500 1.00 2.09 H new ATOM 0 HE3 LYS A 61 12.102 17.685 -5.764 1.00 2.09 H new ATOM 0 HZ1 LYS A 61 13.869 16.082 -5.918 1.00 2.63 H new ATOM 0 HZ2 LYS A 61 14.138 17.136 -4.614 1.00 2.63 H new ATOM 0 HZ3 LYS A 61 13.582 15.557 -4.329 1.00 2.63 H new ATOM 979 N SER A 62 11.394 15.264 0.380 1.00 1.10 N ATOM 980 CA SER A 62 10.436 15.178 1.484 1.00 1.15 C ATOM 981 C SER A 62 11.070 14.681 2.797 1.00 1.08 C ATOM 982 O SER A 62 10.771 15.211 3.864 1.00 1.20 O ATOM 983 CB SER A 62 9.241 14.299 1.101 1.00 1.23 C ATOM 984 OG SER A 62 8.629 14.770 -0.085 1.00 1.76 O ATOM 0 H SER A 62 11.074 14.835 -0.488 1.00 1.10 H new ATOM 0 HA SER A 62 10.089 16.195 1.668 1.00 1.15 H new ATOM 0 HB2 SER A 62 9.571 13.270 0.961 1.00 1.23 H new ATOM 0 HB3 SER A 62 8.514 14.293 1.913 1.00 1.23 H new ATOM 0 HG SER A 62 9.146 14.470 -0.861 1.00 1.76 H new ATOM 990 N LEU A 63 11.935 13.663 2.732 1.00 0.96 N ATOM 991 CA LEU A 63 12.654 13.150 3.888 1.00 0.91 C ATOM 992 C LEU A 63 13.653 14.216 4.356 1.00 0.90 C ATOM 993 O LEU A 63 13.688 14.545 5.538 1.00 0.96 O ATOM 994 CB LEU A 63 13.315 11.780 3.597 1.00 0.93 C ATOM 995 CG LEU A 63 12.386 10.557 3.416 1.00 1.32 C ATOM 996 CD1 LEU A 63 10.914 10.831 3.066 1.00 1.70 C ATOM 997 CD2 LEU A 63 12.953 9.653 2.319 1.00 1.96 C ATOM 0 H LEU A 63 12.153 13.172 1.865 1.00 0.96 H new ATOM 0 HA LEU A 63 11.954 12.955 4.700 1.00 0.91 H new ATOM 0 HB2 LEU A 63 13.914 11.882 2.692 1.00 0.93 H new ATOM 0 HB3 LEU A 63 14.004 11.560 4.413 1.00 0.93 H new ATOM 0 HG LEU A 63 12.369 10.104 4.407 1.00 1.32 H new ATOM 0 HD11 LEU A 63 10.381 9.885 2.969 1.00 1.70 H new ATOM 0 HD12 LEU A 63 10.457 11.426 3.857 1.00 1.70 H new ATOM 0 HD13 LEU A 63 10.859 11.376 2.124 1.00 1.70 H new ATOM 0 HD21 LEU A 63 12.302 8.789 2.187 1.00 1.96 H new ATOM 0 HD22 LEU A 63 13.012 10.209 1.383 1.00 1.96 H new ATOM 0 HD23 LEU A 63 13.950 9.316 2.604 1.00 1.96 H new ATOM 1009 N ASP A 64 14.454 14.777 3.447 1.00 0.94 N ATOM 1010 CA ASP A 64 15.451 15.802 3.754 1.00 1.04 C ATOM 1011 C ASP A 64 14.868 16.963 4.576 1.00 1.08 C ATOM 1012 O ASP A 64 15.470 17.369 5.569 1.00 1.17 O ATOM 1013 CB ASP A 64 16.090 16.300 2.454 1.00 1.10 C ATOM 1014 CG ASP A 64 17.174 17.328 2.730 1.00 1.27 C ATOM 1015 OD1 ASP A 64 18.295 16.888 3.064 1.00 1.83 O ATOM 1016 OD2 ASP A 64 16.863 18.528 2.579 1.00 2.29 O ATOM 0 H ASP A 64 14.426 14.526 2.459 1.00 0.94 H new ATOM 0 HA ASP A 64 16.220 15.349 4.380 1.00 1.04 H new ATOM 0 HB2 ASP A 64 16.515 15.457 1.909 1.00 1.10 H new ATOM 0 HB3 ASP A 64 15.324 16.739 1.815 1.00 1.10 H new ATOM 1021 N VAL A 65 13.681 17.452 4.193 1.00 1.07 N ATOM 1022 CA VAL A 65 12.991 18.567 4.851 1.00 1.16 C ATOM 1023 C VAL A 65 12.998 18.449 6.380 1.00 1.11 C ATOM 1024 O VAL A 65 13.609 19.266 7.062 1.00 1.21 O ATOM 1025 CB VAL A 65 11.550 18.687 4.316 1.00 1.28 C ATOM 1026 CG1 VAL A 65 10.683 19.670 5.114 1.00 2.23 C ATOM 1027 CG2 VAL A 65 11.566 19.176 2.873 1.00 1.72 C ATOM 0 H VAL A 65 13.163 17.074 3.399 1.00 1.07 H new ATOM 0 HA VAL A 65 13.542 19.476 4.610 1.00 1.16 H new ATOM 0 HB VAL A 65 11.121 17.689 4.406 1.00 1.28 H new ATOM 0 HG11 VAL A 65 9.682 19.705 4.683 1.00 2.23 H new ATOM 0 HG12 VAL A 65 10.620 19.341 6.151 1.00 2.23 H new ATOM 0 HG13 VAL A 65 11.130 20.663 5.075 1.00 2.23 H new ATOM 0 HG21 VAL A 65 10.543 19.257 2.505 1.00 1.72 H new ATOM 0 HG22 VAL A 65 12.047 20.153 2.825 1.00 1.72 H new ATOM 0 HG23 VAL A 65 12.119 18.468 2.255 1.00 1.72 H new ATOM 1037 N ASN A 66 12.257 17.475 6.917 1.00 1.04 N ATOM 1038 CA ASN A 66 12.138 17.277 8.370 1.00 1.03 C ATOM 1039 C ASN A 66 12.014 15.797 8.719 1.00 0.96 C ATOM 1040 O ASN A 66 11.064 15.379 9.380 1.00 1.02 O ATOM 1041 CB ASN A 66 10.948 18.062 8.962 1.00 1.16 C ATOM 1042 CG ASN A 66 11.235 19.552 9.127 1.00 1.55 C ATOM 1043 OD1 ASN A 66 12.137 19.939 9.861 1.00 2.39 O ATOM 1044 ND2 ASN A 66 10.449 20.413 8.485 1.00 2.20 N ATOM 0 H ASN A 66 11.725 16.804 6.363 1.00 1.04 H new ATOM 0 HA ASN A 66 13.054 17.665 8.816 1.00 1.03 H new ATOM 0 HB2 ASN A 66 10.079 17.935 8.316 1.00 1.16 H new ATOM 0 HB3 ASN A 66 10.688 17.639 9.932 1.00 1.16 H new ATOM 0 HD21 ASN A 66 10.592 21.417 8.599 1.00 2.20 H new ATOM 0 HD22 ASN A 66 9.704 20.069 7.879 1.00 2.20 H new ATOM 1051 N GLN A 67 13.005 14.996 8.330 1.00 0.91 N ATOM 1052 CA GLN A 67 12.985 13.564 8.592 1.00 0.89 C ATOM 1053 C GLN A 67 12.810 13.197 10.063 1.00 0.99 C ATOM 1054 O GLN A 67 12.305 12.121 10.384 1.00 1.06 O ATOM 1055 CB GLN A 67 14.223 12.834 8.081 1.00 0.88 C ATOM 1056 CG GLN A 67 15.568 13.297 8.684 1.00 1.03 C ATOM 1057 CD GLN A 67 15.951 14.747 8.405 1.00 1.76 C ATOM 1058 OE1 GLN A 67 16.384 15.460 9.302 1.00 3.44 O ATOM 1059 NE2 GLN A 67 15.772 15.199 7.171 1.00 2.46 N ATOM 0 H GLN A 67 13.833 15.319 7.831 1.00 0.91 H new ATOM 0 HA GLN A 67 12.106 13.237 8.037 1.00 0.89 H new ATOM 0 HB2 GLN A 67 14.103 11.769 8.281 1.00 0.88 H new ATOM 0 HB3 GLN A 67 14.271 12.952 6.998 1.00 0.88 H new ATOM 0 HG2 GLN A 67 15.531 13.151 9.764 1.00 1.03 H new ATOM 0 HG3 GLN A 67 16.359 12.651 8.302 1.00 1.03 H new ATOM 0 HE21 GLN A 67 15.409 14.578 6.448 1.00 2.46 H new ATOM 0 HE22 GLN A 67 15.997 16.168 6.945 1.00 2.46 H new ATOM 1068 N ASP A 68 13.318 14.065 10.937 1.00 1.08 N ATOM 1069 CA ASP A 68 13.170 13.946 12.375 1.00 1.18 C ATOM 1070 C ASP A 68 11.706 13.712 12.769 1.00 1.22 C ATOM 1071 O ASP A 68 11.421 12.930 13.674 1.00 1.42 O ATOM 1072 CB ASP A 68 13.715 15.225 13.017 1.00 1.23 C ATOM 1073 CG ASP A 68 13.429 15.263 14.511 1.00 2.13 C ATOM 1074 OD1 ASP A 68 14.240 14.677 15.258 1.00 2.95 O ATOM 1075 OD2 ASP A 68 12.407 15.887 14.868 1.00 2.95 O ATOM 0 H ASP A 68 13.854 14.885 10.653 1.00 1.08 H new ATOM 0 HA ASP A 68 13.731 13.082 12.731 1.00 1.18 H new ATOM 0 HB2 ASP A 68 14.790 15.288 12.849 1.00 1.23 H new ATOM 0 HB3 ASP A 68 13.266 16.094 12.537 1.00 1.23 H new ATOM 1080 N SER A 69 10.775 14.365 12.061 1.00 1.18 N ATOM 1081 CA SER A 69 9.353 14.188 12.304 1.00 1.25 C ATOM 1082 C SER A 69 8.950 12.719 12.157 1.00 1.33 C ATOM 1083 O SER A 69 9.531 11.976 11.367 1.00 2.37 O ATOM 1084 CB SER A 69 8.547 15.058 11.335 1.00 1.25 C ATOM 1085 OG SER A 69 8.863 16.421 11.539 1.00 2.27 O ATOM 0 H SER A 69 10.992 15.023 11.312 1.00 1.18 H new ATOM 0 HA SER A 69 9.137 14.496 13.327 1.00 1.25 H new ATOM 0 HB2 SER A 69 8.769 14.774 10.306 1.00 1.25 H new ATOM 0 HB3 SER A 69 7.480 14.896 11.488 1.00 1.25 H new ATOM 0 HG SER A 69 8.346 16.973 10.916 1.00 2.27 H new ATOM 1091 N GLU A 70 7.924 12.312 12.904 1.00 1.07 N ATOM 1092 CA GLU A 70 7.377 10.972 12.767 1.00 0.96 C ATOM 1093 C GLU A 70 6.603 10.827 11.465 1.00 0.94 C ATOM 1094 O GLU A 70 6.087 11.799 10.914 1.00 1.17 O ATOM 1095 CB GLU A 70 6.512 10.569 13.966 1.00 1.07 C ATOM 1096 CG GLU A 70 7.428 10.127 15.108 1.00 2.20 C ATOM 1097 CD GLU A 70 6.664 9.586 16.304 1.00 3.01 C ATOM 1098 OE1 GLU A 70 5.412 9.575 16.283 1.00 3.21 O ATOM 1099 OE2 GLU A 70 7.318 9.069 17.237 1.00 4.12 O ATOM 0 H GLU A 70 7.461 12.890 13.605 1.00 1.07 H new ATOM 0 HA GLU A 70 8.224 10.287 12.741 1.00 0.96 H new ATOM 0 HB2 GLU A 70 5.892 11.407 14.283 1.00 1.07 H new ATOM 0 HB3 GLU A 70 5.837 9.760 13.689 1.00 1.07 H new ATOM 0 HG2 GLU A 70 8.111 9.360 14.743 1.00 2.20 H new ATOM 0 HG3 GLU A 70 8.038 10.973 15.425 1.00 2.20 H new ATOM 1106 N LEU A 71 6.526 9.580 11.015 1.00 0.92 N ATOM 1107 CA LEU A 71 5.728 9.136 9.885 1.00 0.95 C ATOM 1108 C LEU A 71 4.488 8.433 10.447 1.00 0.90 C ATOM 1109 O LEU A 71 4.517 7.977 11.589 1.00 0.97 O ATOM 1110 CB LEU A 71 6.605 8.180 9.061 1.00 1.27 C ATOM 1111 CG LEU A 71 6.015 7.726 7.719 1.00 1.06 C ATOM 1112 CD1 LEU A 71 6.008 8.867 6.698 1.00 1.90 C ATOM 1113 CD2 LEU A 71 6.890 6.597 7.173 1.00 1.99 C ATOM 0 H LEU A 71 7.044 8.817 11.451 1.00 0.92 H new ATOM 0 HA LEU A 71 5.400 9.954 9.243 1.00 0.95 H new ATOM 0 HB2 LEU A 71 7.561 8.667 8.870 1.00 1.27 H new ATOM 0 HB3 LEU A 71 6.812 7.296 9.664 1.00 1.27 H new ATOM 0 HG LEU A 71 4.988 7.399 7.880 1.00 1.06 H new ATOM 0 HD11 LEU A 71 5.584 8.512 5.759 1.00 1.90 H new ATOM 0 HD12 LEU A 71 5.406 9.692 7.079 1.00 1.90 H new ATOM 0 HD13 LEU A 71 7.029 9.210 6.529 1.00 1.90 H new ATOM 0 HD21 LEU A 71 6.490 6.257 6.218 1.00 1.99 H new ATOM 0 HD22 LEU A 71 7.908 6.961 7.032 1.00 1.99 H new ATOM 0 HD23 LEU A 71 6.897 5.767 7.880 1.00 1.99 H new ATOM 1125 N LYS A 72 3.406 8.337 9.673 1.00 0.86 N ATOM 1126 CA LYS A 72 2.185 7.613 10.003 1.00 0.85 C ATOM 1127 C LYS A 72 1.748 6.797 8.783 1.00 0.73 C ATOM 1128 O LYS A 72 2.218 7.031 7.665 1.00 0.67 O ATOM 1129 CB LYS A 72 1.091 8.600 10.428 1.00 0.99 C ATOM 1130 CG LYS A 72 1.598 9.529 11.537 1.00 1.13 C ATOM 1131 CD LYS A 72 0.551 10.583 11.891 1.00 1.75 C ATOM 1132 CE LYS A 72 1.147 11.514 12.956 1.00 2.22 C ATOM 1133 NZ LYS A 72 0.275 12.671 13.230 1.00 3.72 N ATOM 0 H LYS A 72 3.358 8.784 8.757 1.00 0.86 H new ATOM 0 HA LYS A 72 2.365 6.934 10.837 1.00 0.85 H new ATOM 0 HB2 LYS A 72 0.774 9.191 9.569 1.00 0.99 H new ATOM 0 HB3 LYS A 72 0.216 8.052 10.778 1.00 0.99 H new ATOM 0 HG2 LYS A 72 1.843 8.943 12.423 1.00 1.13 H new ATOM 0 HG3 LYS A 72 2.517 10.018 11.214 1.00 1.13 H new ATOM 0 HD2 LYS A 72 0.269 11.151 11.005 1.00 1.75 H new ATOM 0 HD3 LYS A 72 -0.355 10.107 12.266 1.00 1.75 H new ATOM 0 HE2 LYS A 72 1.307 10.955 13.878 1.00 2.22 H new ATOM 0 HE3 LYS A 72 2.123 11.867 12.624 1.00 2.22 H new ATOM 0 HZ1 LYS A 72 0.715 13.273 13.955 1.00 3.72 H new ATOM 0 HZ2 LYS A 72 0.142 13.220 12.357 1.00 3.72 H new ATOM 0 HZ3 LYS A 72 -0.648 12.336 13.572 1.00 3.72 H new ATOM 1147 N PHE A 73 0.875 5.809 8.997 1.00 0.77 N ATOM 1148 CA PHE A 73 0.593 4.772 8.016 1.00 0.79 C ATOM 1149 C PHE A 73 0.144 5.340 6.670 1.00 0.63 C ATOM 1150 O PHE A 73 0.515 4.821 5.621 1.00 0.52 O ATOM 1151 CB PHE A 73 -0.379 3.716 8.565 1.00 1.12 C ATOM 1152 CG PHE A 73 -1.839 4.125 8.627 1.00 0.97 C ATOM 1153 CD1 PHE A 73 -2.634 4.071 7.466 1.00 2.63 C ATOM 1154 CD2 PHE A 73 -2.426 4.494 9.850 1.00 1.75 C ATOM 1155 CE1 PHE A 73 -3.986 4.441 7.521 1.00 3.54 C ATOM 1156 CE2 PHE A 73 -3.801 4.773 9.921 1.00 2.22 C ATOM 1157 CZ PHE A 73 -4.585 4.746 8.755 1.00 2.93 C ATOM 0 H PHE A 73 0.344 5.711 9.862 1.00 0.77 H new ATOM 0 HA PHE A 73 1.536 4.261 7.822 1.00 0.79 H new ATOM 0 HB2 PHE A 73 -0.299 2.821 7.948 1.00 1.12 H new ATOM 0 HB3 PHE A 73 -0.056 3.441 9.569 1.00 1.12 H new ATOM 0 HD1 PHE A 73 -2.202 3.744 6.532 1.00 2.63 H new ATOM 0 HD2 PHE A 73 -1.817 4.563 10.739 1.00 1.75 H new ATOM 0 HE1 PHE A 73 -4.568 4.492 6.613 1.00 3.54 H new ATOM 0 HE2 PHE A 73 -4.256 5.008 10.872 1.00 2.22 H new ATOM 0 HZ PHE A 73 -5.643 4.959 8.807 1.00 2.93 H new ATOM 1167 N ASN A 74 -0.660 6.402 6.692 1.00 0.72 N ATOM 1168 CA ASN A 74 -1.152 7.064 5.490 1.00 0.75 C ATOM 1169 C ASN A 74 -0.003 7.662 4.671 1.00 0.66 C ATOM 1170 O ASN A 74 0.021 7.502 3.451 1.00 0.70 O ATOM 1171 CB ASN A 74 -2.197 8.120 5.870 1.00 1.00 C ATOM 1172 CG ASN A 74 -1.651 9.078 6.922 1.00 2.32 C ATOM 1173 OD1 ASN A 74 -1.606 8.725 8.096 1.00 3.58 O ATOM 1174 ND2 ASN A 74 -1.186 10.250 6.511 1.00 3.11 N ATOM 0 H ASN A 74 -0.991 6.830 7.557 1.00 0.72 H new ATOM 0 HA ASN A 74 -1.633 6.323 4.852 1.00 0.75 H new ATOM 0 HB2 ASN A 74 -2.493 8.680 4.982 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -3.093 7.629 6.250 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -0.771 10.897 7.181 1.00 3.11 H new ATOM 0 HD22 ASN A 74 -1.243 10.504 5.525 1.00 3.11 H new ATOM 1181 N GLU A 75 0.954 8.338 5.317 1.00 0.62 N ATOM 1182 CA GLU A 75 2.109 8.886 4.620 1.00 0.59 C ATOM 1183 C GLU A 75 2.974 7.739 4.108 1.00 0.49 C ATOM 1184 O GLU A 75 3.313 7.692 2.925 1.00 0.53 O ATOM 1185 CB GLU A 75 2.928 9.783 5.550 1.00 0.70 C ATOM 1186 CG GLU A 75 2.158 11.008 6.072 1.00 1.58 C ATOM 1187 CD GLU A 75 1.894 10.946 7.574 1.00 3.07 C ATOM 1188 OE1 GLU A 75 2.821 10.514 8.293 1.00 4.09 O ATOM 1189 OE2 GLU A 75 0.768 11.324 7.970 1.00 3.95 O ATOM 0 H GLU A 75 0.946 8.515 6.321 1.00 0.62 H new ATOM 0 HA GLU A 75 1.764 9.491 3.782 1.00 0.59 H new ATOM 0 HB2 GLU A 75 3.270 9.192 6.400 1.00 0.70 H new ATOM 0 HB3 GLU A 75 3.817 10.124 5.020 1.00 0.70 H new ATOM 0 HG2 GLU A 75 2.724 11.911 5.844 1.00 1.58 H new ATOM 0 HG3 GLU A 75 1.208 11.086 5.544 1.00 1.58 H new ATOM 1196 N TYR A 76 3.305 6.802 5.006 1.00 0.46 N ATOM 1197 CA TYR A 76 4.003 5.568 4.668 1.00 0.45 C ATOM 1198 C TYR A 76 3.427 4.993 3.377 1.00 0.42 C ATOM 1199 O TYR A 76 4.178 4.671 2.460 1.00 0.42 O ATOM 1200 CB TYR A 76 3.889 4.578 5.837 1.00 0.51 C ATOM 1201 CG TYR A 76 4.314 3.147 5.553 1.00 0.65 C ATOM 1202 CD1 TYR A 76 3.418 2.256 4.928 1.00 1.96 C ATOM 1203 CD2 TYR A 76 5.527 2.658 6.069 1.00 2.04 C ATOM 1204 CE1 TYR A 76 3.762 0.904 4.767 1.00 2.06 C ATOM 1205 CE2 TYR A 76 5.890 1.315 5.867 1.00 2.15 C ATOM 1206 CZ TYR A 76 5.012 0.441 5.206 1.00 1.14 C ATOM 1207 OH TYR A 76 5.390 -0.846 4.969 1.00 1.45 O ATOM 0 H TYR A 76 3.090 6.887 5.999 1.00 0.46 H new ATOM 0 HA TYR A 76 5.062 5.767 4.501 1.00 0.45 H new ATOM 0 HB2 TYR A 76 4.490 4.955 6.664 1.00 0.51 H new ATOM 0 HB3 TYR A 76 2.853 4.566 6.175 1.00 0.51 H new ATOM 0 HD1 TYR A 76 2.464 2.614 4.572 1.00 1.96 H new ATOM 0 HD2 TYR A 76 6.181 3.316 6.622 1.00 2.04 H new ATOM 0 HE1 TYR A 76 3.065 0.221 4.305 1.00 2.06 H new ATOM 0 HE2 TYR A 76 6.845 0.955 6.221 1.00 2.15 H new ATOM 0 HH TYR A 76 6.286 -0.856 4.572 1.00 1.45 H new ATOM 1217 N TRP A 77 2.095 4.906 3.295 1.00 0.43 N ATOM 1218 CA TRP A 77 1.413 4.320 2.171 1.00 0.43 C ATOM 1219 C TRP A 77 1.900 4.861 0.831 1.00 0.41 C ATOM 1220 O TRP A 77 2.627 4.185 0.103 1.00 0.42 O ATOM 1221 CB TRP A 77 -0.096 4.496 2.348 1.00 0.46 C ATOM 1222 CG TRP A 77 -0.778 3.295 1.874 1.00 0.44 C ATOM 1223 CD1 TRP A 77 -1.060 3.064 0.587 1.00 0.47 C ATOM 1224 CD2 TRP A 77 -1.273 2.168 2.635 1.00 0.40 C ATOM 1225 NE1 TRP A 77 -1.571 1.796 0.477 1.00 0.45 N ATOM 1226 CE2 TRP A 77 -1.820 1.238 1.714 1.00 0.42 C ATOM 1227 CE3 TRP A 77 -1.378 1.869 4.008 1.00 0.40 C ATOM 1228 CZ2 TRP A 77 -2.468 0.074 2.137 1.00 0.44 C ATOM 1229 CZ3 TRP A 77 -2.048 0.710 4.427 1.00 0.42 C ATOM 1230 CH2 TRP A 77 -2.569 -0.194 3.505 1.00 0.44 C ATOM 0 H TRP A 77 1.467 5.248 4.022 1.00 0.43 H new ATOM 0 HA TRP A 77 1.648 3.256 2.149 1.00 0.43 H new ATOM 0 HB2 TRP A 77 -0.333 4.673 3.397 1.00 0.46 H new ATOM 0 HB3 TRP A 77 -0.440 5.368 1.792 1.00 0.46 H new ATOM 0 HD1 TRP A 77 -0.911 3.758 -0.227 1.00 0.47 H new ATOM 0 HE1 TRP A 77 -1.745 1.324 -0.410 1.00 0.45 H new ATOM 0 HE3 TRP A 77 -0.942 2.533 4.739 1.00 0.40 H new ATOM 0 HZ2 TRP A 77 -2.886 -0.611 1.414 1.00 0.44 H new ATOM 0 HZ3 TRP A 77 -2.162 0.515 5.483 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -3.050 -1.099 3.846 1.00 0.44 H new ATOM 1241 N ARG A 78 1.497 6.083 0.486 1.00 0.44 N ATOM 1242 CA ARG A 78 1.957 6.723 -0.727 1.00 0.50 C ATOM 1243 C ARG A 78 3.486 6.640 -0.851 1.00 0.48 C ATOM 1244 O ARG A 78 3.979 6.384 -1.939 1.00 0.52 O ATOM 1245 CB ARG A 78 1.457 8.163 -0.763 1.00 0.72 C ATOM 1246 CG ARG A 78 1.871 9.011 0.442 1.00 1.12 C ATOM 1247 CD ARG A 78 1.837 10.472 0.025 1.00 1.62 C ATOM 1248 NE ARG A 78 2.954 10.748 -0.899 1.00 2.80 N ATOM 1249 CZ ARG A 78 3.432 11.949 -1.242 1.00 3.75 C ATOM 1250 NH1 ARG A 78 2.840 13.063 -0.798 1.00 3.84 N ATOM 1251 NH2 ARG A 78 4.501 11.995 -2.038 1.00 5.23 N ATOM 0 H ARG A 78 0.849 6.645 1.038 1.00 0.44 H new ATOM 0 HA ARG A 78 1.547 6.197 -1.589 1.00 0.50 H new ATOM 0 HB2 ARG A 78 1.827 8.640 -1.671 1.00 0.72 H new ATOM 0 HB3 ARG A 78 0.369 8.155 -0.828 1.00 0.72 H new ATOM 0 HG2 ARG A 78 1.195 8.838 1.279 1.00 1.12 H new ATOM 0 HG3 ARG A 78 2.871 8.734 0.777 1.00 1.12 H new ATOM 0 HD2 ARG A 78 0.887 10.701 -0.458 1.00 1.62 H new ATOM 0 HD3 ARG A 78 1.911 11.113 0.903 1.00 1.62 H new ATOM 0 HE ARG A 78 3.409 9.938 -1.320 1.00 2.80 H new ATOM 0 HH11 ARG A 78 2.020 12.999 -0.195 1.00 3.84 H new ATOM 0 HH12 ARG A 78 3.209 13.977 -1.063 1.00 3.84 H new ATOM 0 HH21 ARG A 78 4.930 11.130 -2.367 1.00 5.23 H new ATOM 0 HH22 ARG A 78 4.890 12.895 -2.318 1.00 5.23 H new ATOM 1265 N LEU A 79 4.247 6.795 0.240 1.00 0.53 N ATOM 1266 CA LEU A 79 5.704 6.745 0.171 1.00 0.61 C ATOM 1267 C LEU A 79 6.217 5.387 -0.338 1.00 0.59 C ATOM 1268 O LEU A 79 7.182 5.349 -1.116 1.00 0.74 O ATOM 1269 CB LEU A 79 6.333 7.134 1.520 1.00 0.76 C ATOM 1270 CG LEU A 79 6.733 8.617 1.611 1.00 0.77 C ATOM 1271 CD1 LEU A 79 5.592 9.602 1.337 1.00 0.90 C ATOM 1272 CD2 LEU A 79 7.324 8.915 2.992 1.00 0.93 C ATOM 0 H LEU A 79 3.875 6.955 1.176 1.00 0.53 H new ATOM 0 HA LEU A 79 6.021 7.484 -0.565 1.00 0.61 H new ATOM 0 HB2 LEU A 79 5.627 6.908 2.319 1.00 0.76 H new ATOM 0 HB3 LEU A 79 7.216 6.518 1.691 1.00 0.76 H new ATOM 0 HG LEU A 79 7.469 8.767 0.821 1.00 0.77 H new ATOM 0 HD11 LEU A 79 5.964 10.623 1.423 1.00 0.90 H new ATOM 0 HD12 LEU A 79 5.205 9.440 0.331 1.00 0.90 H new ATOM 0 HD13 LEU A 79 4.794 9.445 2.062 1.00 0.90 H new ATOM 0 HD21 LEU A 79 7.605 9.967 3.048 1.00 0.93 H new ATOM 0 HD22 LEU A 79 6.582 8.696 3.760 1.00 0.93 H new ATOM 0 HD23 LEU A 79 8.206 8.295 3.152 1.00 0.93 H new ATOM 1284 N ILE A 80 5.609 4.266 0.072 1.00 0.51 N ATOM 1285 CA ILE A 80 5.986 2.984 -0.520 1.00 0.54 C ATOM 1286 C ILE A 80 5.403 2.852 -1.926 1.00 0.53 C ATOM 1287 O ILE A 80 6.037 2.264 -2.795 1.00 0.64 O ATOM 1288 CB ILE A 80 5.679 1.743 0.351 1.00 0.51 C ATOM 1289 CG1 ILE A 80 4.214 1.302 0.300 1.00 0.57 C ATOM 1290 CG2 ILE A 80 6.133 1.935 1.791 1.00 0.49 C ATOM 1291 CD1 ILE A 80 3.896 0.003 1.043 1.00 0.53 C ATOM 0 H ILE A 80 4.881 4.222 0.785 1.00 0.51 H new ATOM 0 HA ILE A 80 7.074 2.999 -0.582 1.00 0.54 H new ATOM 0 HB ILE A 80 6.261 0.934 -0.091 1.00 0.51 H new ATOM 0 HG12 ILE A 80 3.597 2.099 0.715 1.00 0.57 H new ATOM 0 HG13 ILE A 80 3.923 1.185 -0.744 1.00 0.57 H new ATOM 0 HG21 ILE A 80 5.899 1.041 2.369 1.00 0.49 H new ATOM 0 HG22 ILE A 80 7.209 2.110 1.813 1.00 0.49 H new ATOM 0 HG23 ILE A 80 5.617 2.792 2.224 1.00 0.49 H new ATOM 0 HD11 ILE A 80 2.834 -0.221 0.946 1.00 0.53 H new ATOM 0 HD12 ILE A 80 4.479 -0.813 0.616 1.00 0.53 H new ATOM 0 HD13 ILE A 80 4.148 0.116 2.097 1.00 0.53 H new ATOM 1303 N GLY A 81 4.212 3.400 -2.171 1.00 0.44 N ATOM 1304 CA GLY A 81 3.605 3.399 -3.495 1.00 0.42 C ATOM 1305 C GLY A 81 4.519 4.021 -4.544 1.00 0.50 C ATOM 1306 O GLY A 81 4.843 3.412 -5.566 1.00 0.51 O ATOM 0 H GLY A 81 3.645 3.855 -1.456 1.00 0.44 H new ATOM 0 HA2 GLY A 81 3.367 2.375 -3.783 1.00 0.42 H new ATOM 0 HA3 GLY A 81 2.664 3.948 -3.463 1.00 0.42 H new ATOM 1310 N GLU A 82 4.956 5.243 -4.249 1.00 0.72 N ATOM 1311 CA GLU A 82 6.046 5.930 -4.899 1.00 0.86 C ATOM 1312 C GLU A 82 7.203 4.934 -5.151 1.00 0.88 C ATOM 1313 O GLU A 82 7.689 4.852 -6.274 1.00 1.04 O ATOM 1314 CB GLU A 82 6.439 7.151 -4.038 1.00 0.95 C ATOM 1315 CG GLU A 82 5.758 8.509 -4.361 1.00 1.07 C ATOM 1316 CD GLU A 82 4.565 8.958 -3.504 1.00 2.22 C ATOM 1317 OE1 GLU A 82 4.788 9.394 -2.350 1.00 3.12 O ATOM 1318 OE2 GLU A 82 3.447 9.087 -4.059 1.00 3.40 O ATOM 0 H GLU A 82 4.530 5.802 -3.510 1.00 0.72 H new ATOM 0 HA GLU A 82 5.760 6.312 -5.879 1.00 0.86 H new ATOM 0 HB2 GLU A 82 6.228 6.909 -2.996 1.00 0.95 H new ATOM 0 HB3 GLU A 82 7.517 7.288 -4.122 1.00 0.95 H new ATOM 0 HG2 GLU A 82 6.521 9.285 -4.298 1.00 1.07 H new ATOM 0 HG3 GLU A 82 5.425 8.473 -5.398 1.00 1.07 H new ATOM 1325 N LEU A 83 7.590 4.111 -4.162 1.00 0.77 N ATOM 1326 CA LEU A 83 8.616 3.085 -4.318 1.00 0.84 C ATOM 1327 C LEU A 83 8.215 2.010 -5.339 1.00 0.81 C ATOM 1328 O LEU A 83 8.997 1.739 -6.250 1.00 0.96 O ATOM 1329 CB LEU A 83 9.112 2.584 -2.941 1.00 0.92 C ATOM 1330 CG LEU A 83 9.087 1.073 -2.678 1.00 1.51 C ATOM 1331 CD1 LEU A 83 10.207 0.408 -3.471 1.00 2.33 C ATOM 1332 CD2 LEU A 83 9.323 0.788 -1.189 1.00 2.18 C ATOM 0 H LEU A 83 7.190 4.146 -3.224 1.00 0.77 H new ATOM 0 HA LEU A 83 9.502 3.526 -4.775 1.00 0.84 H new ATOM 0 HB2 LEU A 83 10.137 2.930 -2.808 1.00 0.92 H new ATOM 0 HB3 LEU A 83 8.510 3.068 -2.172 1.00 0.92 H new ATOM 0 HG LEU A 83 8.115 0.683 -2.978 1.00 1.51 H new ATOM 0 HD11 LEU A 83 10.194 -0.666 -3.288 1.00 2.33 H new ATOM 0 HD12 LEU A 83 10.061 0.597 -4.535 1.00 2.33 H new ATOM 0 HD13 LEU A 83 11.167 0.818 -3.158 1.00 2.33 H new ATOM 0 HD21 LEU A 83 9.303 -0.288 -1.017 1.00 2.18 H new ATOM 0 HD22 LEU A 83 10.294 1.185 -0.892 1.00 2.18 H new ATOM 0 HD23 LEU A 83 8.540 1.265 -0.599 1.00 2.18 H new ATOM 1344 N ALA A 84 7.020 1.410 -5.253 1.00 0.66 N ATOM 1345 CA ALA A 84 6.558 0.498 -6.301 1.00 0.70 C ATOM 1346 C ALA A 84 6.711 1.123 -7.699 1.00 0.82 C ATOM 1347 O ALA A 84 7.095 0.448 -8.653 1.00 0.97 O ATOM 1348 CB ALA A 84 5.110 0.079 -6.032 1.00 0.63 C ATOM 0 H ALA A 84 6.367 1.538 -4.480 1.00 0.66 H new ATOM 0 HA ALA A 84 7.184 -0.394 -6.281 1.00 0.70 H new ATOM 0 HB1 ALA A 84 4.776 -0.599 -6.817 1.00 0.63 H new ATOM 0 HB2 ALA A 84 5.050 -0.425 -5.067 1.00 0.63 H new ATOM 0 HB3 ALA A 84 4.472 0.963 -6.020 1.00 0.63 H new ATOM 1354 N LYS A 85 6.426 2.423 -7.815 1.00 0.89 N ATOM 1355 CA LYS A 85 6.599 3.185 -9.047 1.00 1.12 C ATOM 1356 C LYS A 85 8.080 3.441 -9.392 1.00 1.27 C ATOM 1357 O LYS A 85 8.418 3.446 -10.574 1.00 1.59 O ATOM 1358 CB LYS A 85 5.720 4.437 -8.947 1.00 1.36 C ATOM 1359 CG LYS A 85 5.797 5.456 -10.090 1.00 1.38 C ATOM 1360 CD LYS A 85 6.963 6.441 -9.903 1.00 1.39 C ATOM 1361 CE LYS A 85 6.755 7.722 -10.725 1.00 1.97 C ATOM 1362 NZ LYS A 85 7.780 8.740 -10.416 1.00 2.70 N ATOM 0 H LYS A 85 6.063 2.981 -7.042 1.00 0.89 H new ATOM 0 HA LYS A 85 6.262 2.607 -9.908 1.00 1.12 H new ATOM 0 HB2 LYS A 85 4.683 4.112 -8.857 1.00 1.36 H new ATOM 0 HB3 LYS A 85 5.975 4.952 -8.021 1.00 1.36 H new ATOM 0 HG2 LYS A 85 5.914 4.930 -11.038 1.00 1.38 H new ATOM 0 HG3 LYS A 85 4.860 6.010 -10.147 1.00 1.38 H new ATOM 0 HD2 LYS A 85 7.059 6.696 -8.848 1.00 1.39 H new ATOM 0 HD3 LYS A 85 7.896 5.963 -10.202 1.00 1.39 H new ATOM 0 HE2 LYS A 85 6.789 7.482 -11.788 1.00 1.97 H new ATOM 0 HE3 LYS A 85 5.765 8.129 -10.521 1.00 1.97 H new ATOM 0 HZ1 LYS A 85 7.618 9.584 -11.001 1.00 2.70 H new ATOM 0 HZ2 LYS A 85 7.720 8.999 -9.411 1.00 2.70 H new ATOM 0 HZ3 LYS A 85 8.724 8.354 -10.618 1.00 2.70 H new ATOM 1376 N GLU A 86 8.962 3.650 -8.408 1.00 1.07 N ATOM 1377 CA GLU A 86 10.416 3.664 -8.597 1.00 1.11 C ATOM 1378 C GLU A 86 10.872 2.298 -9.139 1.00 1.17 C ATOM 1379 O GLU A 86 11.234 2.162 -10.309 1.00 1.30 O ATOM 1380 CB GLU A 86 11.126 4.001 -7.269 1.00 1.00 C ATOM 1381 CG GLU A 86 10.866 5.440 -6.795 1.00 1.27 C ATOM 1382 CD GLU A 86 11.042 5.619 -5.286 1.00 1.26 C ATOM 1383 OE1 GLU A 86 12.147 5.332 -4.792 1.00 1.90 O ATOM 1384 OE2 GLU A 86 10.060 6.012 -4.613 1.00 2.41 O ATOM 0 H GLU A 86 8.680 3.817 -7.442 1.00 1.07 H new ATOM 0 HA GLU A 86 10.683 4.435 -9.320 1.00 1.11 H new ATOM 0 HB2 GLU A 86 10.793 3.305 -6.499 1.00 1.00 H new ATOM 0 HB3 GLU A 86 12.199 3.853 -7.390 1.00 1.00 H new ATOM 0 HG2 GLU A 86 11.545 6.115 -7.316 1.00 1.27 H new ATOM 0 HG3 GLU A 86 9.853 5.730 -7.073 1.00 1.27 H new ATOM 1391 N ILE A 87 10.916 1.285 -8.270 1.00 1.07 N ATOM 1392 CA ILE A 87 11.463 -0.027 -8.592 1.00 1.10 C ATOM 1393 C ILE A 87 10.403 -0.887 -9.295 1.00 0.97 C ATOM 1394 O ILE A 87 9.757 -1.737 -8.687 1.00 0.80 O ATOM 1395 CB ILE A 87 12.117 -0.649 -7.341 1.00 1.21 C ATOM 1396 CG1 ILE A 87 13.199 -1.695 -7.672 1.00 1.53 C ATOM 1397 CG2 ILE A 87 11.130 -1.187 -6.297 1.00 1.24 C ATOM 1398 CD1 ILE A 87 12.817 -2.751 -8.713 1.00 1.44 C ATOM 0 H ILE A 87 10.568 1.358 -7.314 1.00 1.07 H new ATOM 0 HA ILE A 87 12.273 0.053 -9.317 1.00 1.10 H new ATOM 0 HB ILE A 87 12.613 0.201 -6.872 1.00 1.21 H new ATOM 0 HG12 ILE A 87 14.087 -1.171 -8.025 1.00 1.53 H new ATOM 0 HG13 ILE A 87 13.476 -2.206 -6.750 1.00 1.53 H new ATOM 0 HG21 ILE A 87 11.682 -1.604 -5.455 1.00 1.24 H new ATOM 0 HG22 ILE A 87 10.493 -0.375 -5.946 1.00 1.24 H new ATOM 0 HG23 ILE A 87 10.512 -1.964 -6.747 1.00 1.24 H new ATOM 0 HD11 ILE A 87 13.654 -3.432 -8.865 1.00 1.44 H new ATOM 0 HD12 ILE A 87 11.952 -3.313 -8.361 1.00 1.44 H new ATOM 0 HD13 ILE A 87 12.572 -2.261 -9.655 1.00 1.44 H new ATOM 1410 N ARG A 88 10.242 -0.720 -10.608 1.00 1.24 N ATOM 1411 CA ARG A 88 9.200 -1.428 -11.347 1.00 1.32 C ATOM 1412 C ARG A 88 9.642 -2.861 -11.692 1.00 1.31 C ATOM 1413 O ARG A 88 9.829 -3.183 -12.866 1.00 1.86 O ATOM 1414 CB ARG A 88 8.818 -0.625 -12.601 1.00 1.81 C ATOM 1415 CG ARG A 88 8.251 0.747 -12.217 1.00 2.54 C ATOM 1416 CD ARG A 88 7.736 1.522 -13.436 1.00 2.96 C ATOM 1417 NE ARG A 88 8.839 1.929 -14.322 1.00 2.82 N ATOM 1418 CZ ARG A 88 8.688 2.492 -15.533 1.00 3.20 C ATOM 1419 NH1 ARG A 88 7.461 2.694 -16.028 1.00 3.67 N ATOM 1420 NH2 ARG A 88 9.764 2.850 -16.243 1.00 4.18 N ATOM 0 H ARG A 88 10.819 -0.102 -11.179 1.00 1.24 H new ATOM 0 HA ARG A 88 8.314 -1.517 -10.718 1.00 1.32 H new ATOM 0 HB2 ARG A 88 9.694 -0.497 -13.237 1.00 1.81 H new ATOM 0 HB3 ARG A 88 8.081 -1.179 -13.182 1.00 1.81 H new ATOM 0 HG2 ARG A 88 7.439 0.616 -11.502 1.00 2.54 H new ATOM 0 HG3 ARG A 88 9.024 1.331 -11.717 1.00 2.54 H new ATOM 0 HD2 ARG A 88 7.032 0.903 -13.991 1.00 2.96 H new ATOM 0 HD3 ARG A 88 7.190 2.405 -13.103 1.00 2.96 H new ATOM 0 HE ARG A 88 9.791 1.772 -13.991 1.00 2.82 H new ATOM 0 HH11 ARG A 88 6.641 2.421 -15.486 1.00 3.67 H new ATOM 0 HH12 ARG A 88 7.346 3.121 -16.947 1.00 3.67 H new ATOM 0 HH21 ARG A 88 10.699 2.696 -15.865 1.00 4.18 H new ATOM 0 HH22 ARG A 88 9.650 3.277 -17.162 1.00 4.18 H new ATOM 1434 N LYS A 89 9.764 -3.722 -10.672 1.00 1.05 N ATOM 1435 CA LYS A 89 10.093 -5.147 -10.789 1.00 1.14 C ATOM 1436 C LYS A 89 9.151 -5.923 -11.727 1.00 1.33 C ATOM 1437 O LYS A 89 8.114 -5.406 -12.153 1.00 2.04 O ATOM 1438 CB LYS A 89 10.216 -5.799 -9.398 1.00 1.66 C ATOM 1439 CG LYS A 89 9.017 -5.708 -8.429 1.00 0.97 C ATOM 1440 CD LYS A 89 8.937 -4.406 -7.618 1.00 1.68 C ATOM 1441 CE LYS A 89 8.299 -4.540 -6.221 1.00 1.67 C ATOM 1442 NZ LYS A 89 9.097 -5.330 -5.254 1.00 2.77 N ATOM 0 H LYS A 89 9.630 -3.431 -9.704 1.00 1.05 H new ATOM 0 HA LYS A 89 11.069 -5.204 -11.270 1.00 1.14 H new ATOM 0 HB2 LYS A 89 10.442 -6.855 -9.546 1.00 1.66 H new ATOM 0 HB3 LYS A 89 11.078 -5.356 -8.900 1.00 1.66 H new ATOM 0 HG2 LYS A 89 8.096 -5.819 -9.002 1.00 0.97 H new ATOM 0 HG3 LYS A 89 9.064 -6.548 -7.736 1.00 0.97 H new ATOM 0 HD2 LYS A 89 9.944 -4.006 -7.503 1.00 1.68 H new ATOM 0 HD3 LYS A 89 8.367 -3.674 -8.191 1.00 1.68 H new ATOM 0 HE2 LYS A 89 8.139 -3.543 -5.811 1.00 1.67 H new ATOM 0 HE3 LYS A 89 7.318 -5.003 -6.327 1.00 1.67 H new ATOM 0 HZ1 LYS A 89 8.698 -5.217 -4.300 1.00 2.77 H new ATOM 0 HZ2 LYS A 89 9.073 -6.334 -5.523 1.00 2.77 H new ATOM 0 HZ3 LYS A 89 10.081 -4.994 -5.259 1.00 2.77 H new ATOM 1456 N LYS A 90 9.549 -7.145 -12.110 1.00 1.55 N ATOM 1457 CA LYS A 90 8.878 -8.033 -13.057 1.00 2.13 C ATOM 1458 C LYS A 90 9.721 -9.311 -13.190 1.00 2.02 C ATOM 1459 O LYS A 90 10.716 -9.456 -12.486 1.00 3.74 O ATOM 1460 CB LYS A 90 8.689 -7.331 -14.422 1.00 3.27 C ATOM 1461 CG LYS A 90 7.207 -7.018 -14.700 1.00 4.96 C ATOM 1462 CD LYS A 90 7.028 -6.059 -15.890 1.00 6.40 C ATOM 1463 CE LYS A 90 6.983 -4.581 -15.469 1.00 7.66 C ATOM 1464 NZ LYS A 90 8.109 -4.211 -14.591 1.00 7.89 N ATOM 0 H LYS A 90 10.403 -7.561 -11.740 1.00 1.55 H new ATOM 0 HA LYS A 90 7.883 -8.292 -12.696 1.00 2.13 H new ATOM 0 HB2 LYS A 90 9.266 -6.406 -14.439 1.00 3.27 H new ATOM 0 HB3 LYS A 90 9.082 -7.966 -15.216 1.00 3.27 H new ATOM 0 HG2 LYS A 90 6.673 -7.947 -14.901 1.00 4.96 H new ATOM 0 HG3 LYS A 90 6.757 -6.578 -13.810 1.00 4.96 H new ATOM 0 HD2 LYS A 90 7.847 -6.206 -16.594 1.00 6.40 H new ATOM 0 HD3 LYS A 90 6.107 -6.309 -16.416 1.00 6.40 H new ATOM 0 HE2 LYS A 90 6.998 -3.952 -16.359 1.00 7.66 H new ATOM 0 HE3 LYS A 90 6.043 -4.381 -14.954 1.00 7.66 H new ATOM 0 HZ1 LYS A 90 8.062 -3.195 -14.376 1.00 7.89 H new ATOM 0 HZ2 LYS A 90 8.053 -4.755 -13.706 1.00 7.89 H new ATOM 0 HZ3 LYS A 90 9.007 -4.422 -15.071 1.00 7.89 H new ATOM 1478 N LYS A 91 9.313 -10.199 -14.105 1.00 2.03 N ATOM 1479 CA LYS A 91 9.962 -11.441 -14.526 1.00 3.20 C ATOM 1480 C LYS A 91 10.069 -12.501 -13.428 1.00 3.44 C ATOM 1481 O LYS A 91 9.471 -13.567 -13.558 1.00 4.59 O ATOM 1482 CB LYS A 91 11.366 -11.180 -15.096 1.00 3.97 C ATOM 1483 CG LYS A 91 11.390 -10.392 -16.408 1.00 4.80 C ATOM 1484 CD LYS A 91 12.853 -10.323 -16.871 1.00 6.16 C ATOM 1485 CE LYS A 91 12.995 -9.592 -18.212 1.00 7.50 C ATOM 1486 NZ LYS A 91 14.401 -9.565 -18.669 1.00 9.08 N ATOM 0 H LYS A 91 8.441 -10.050 -14.614 1.00 2.03 H new ATOM 0 HA LYS A 91 9.305 -11.838 -15.299 1.00 3.20 H new ATOM 0 HB2 LYS A 91 11.950 -10.638 -14.352 1.00 3.97 H new ATOM 0 HB3 LYS A 91 11.862 -12.137 -15.254 1.00 3.97 H new ATOM 0 HG2 LYS A 91 10.771 -10.880 -17.161 1.00 4.80 H new ATOM 0 HG3 LYS A 91 10.985 -9.391 -16.263 1.00 4.80 H new ATOM 0 HD2 LYS A 91 13.449 -9.813 -16.115 1.00 6.16 H new ATOM 0 HD3 LYS A 91 13.252 -11.333 -16.964 1.00 6.16 H new ATOM 0 HE2 LYS A 91 12.377 -10.084 -18.963 1.00 7.50 H new ATOM 0 HE3 LYS A 91 12.624 -8.572 -18.112 1.00 7.50 H new ATOM 0 HZ1 LYS A 91 14.461 -9.063 -19.578 1.00 9.08 H new ATOM 0 HZ2 LYS A 91 14.986 -9.074 -17.963 1.00 9.08 H new ATOM 0 HZ3 LYS A 91 14.746 -10.539 -18.787 1.00 9.08 H new ATOM 1500 N ASP A 92 10.832 -12.226 -12.371 1.00 2.66 N ATOM 1501 CA ASP A 92 11.408 -13.278 -11.538 1.00 3.18 C ATOM 1502 C ASP A 92 11.673 -12.722 -10.145 1.00 2.42 C ATOM 1503 O ASP A 92 12.772 -12.796 -9.603 1.00 2.54 O ATOM 1504 CB ASP A 92 12.691 -13.819 -12.202 1.00 4.09 C ATOM 1505 CG ASP A 92 13.768 -12.768 -12.485 1.00 5.55 C ATOM 1506 OD1 ASP A 92 13.436 -11.561 -12.474 1.00 6.00 O ATOM 1507 OD2 ASP A 92 14.900 -13.200 -12.790 1.00 6.77 O ATOM 0 H ASP A 92 11.066 -11.279 -12.071 1.00 2.66 H new ATOM 0 HA ASP A 92 10.714 -14.113 -11.440 1.00 3.18 H new ATOM 0 HB2 ASP A 92 13.117 -14.590 -11.559 1.00 4.09 H new ATOM 0 HB3 ASP A 92 12.420 -14.301 -13.141 1.00 4.09 H new ATOM 1512 N LEU A 93 10.603 -12.205 -9.542 1.00 2.03 N ATOM 1513 CA LEU A 93 10.763 -11.248 -8.466 1.00 1.46 C ATOM 1514 C LEU A 93 11.085 -11.955 -7.152 1.00 1.12 C ATOM 1515 O LEU A 93 12.234 -11.959 -6.726 1.00 1.13 O ATOM 1516 CB LEU A 93 9.429 -10.490 -8.428 1.00 2.15 C ATOM 1517 CG LEU A 93 9.186 -9.549 -7.246 1.00 1.62 C ATOM 1518 CD1 LEU A 93 10.417 -8.677 -6.979 1.00 2.97 C ATOM 1519 CD2 LEU A 93 7.901 -8.780 -7.590 1.00 2.44 C ATOM 0 H LEU A 93 9.637 -12.431 -9.779 1.00 2.03 H new ATOM 0 HA LEU A 93 11.598 -10.564 -8.621 1.00 1.46 H new ATOM 0 HB2 LEU A 93 9.347 -9.907 -9.345 1.00 2.15 H new ATOM 0 HB3 LEU A 93 8.624 -11.225 -8.445 1.00 2.15 H new ATOM 0 HG LEU A 93 9.041 -10.072 -6.301 1.00 1.62 H new ATOM 0 HD11 LEU A 93 10.219 -8.017 -6.134 1.00 2.97 H new ATOM 0 HD12 LEU A 93 11.271 -9.314 -6.749 1.00 2.97 H new ATOM 0 HD13 LEU A 93 10.638 -8.079 -7.863 1.00 2.97 H new ATOM 0 HD21 LEU A 93 7.666 -8.085 -6.784 1.00 2.44 H new ATOM 0 HD22 LEU A 93 8.046 -8.225 -8.517 1.00 2.44 H new ATOM 0 HD23 LEU A 93 7.078 -9.484 -7.714 1.00 2.44 H new ATOM 1531 N LYS A 94 10.149 -12.747 -6.625 1.00 1.16 N ATOM 1532 CA LYS A 94 10.389 -13.492 -5.392 1.00 1.11 C ATOM 1533 C LYS A 94 11.209 -14.746 -5.669 1.00 1.26 C ATOM 1534 O LYS A 94 11.828 -15.305 -4.770 1.00 1.39 O ATOM 1535 CB LYS A 94 9.082 -13.739 -4.630 1.00 1.50 C ATOM 1536 CG LYS A 94 8.782 -12.456 -3.844 1.00 1.89 C ATOM 1537 CD LYS A 94 7.399 -12.391 -3.188 1.00 2.48 C ATOM 1538 CE LYS A 94 6.849 -13.716 -2.644 1.00 2.07 C ATOM 1539 NZ LYS A 94 5.495 -13.534 -2.081 1.00 2.55 N ATOM 0 H LYS A 94 9.224 -12.887 -7.031 1.00 1.16 H new ATOM 0 HA LYS A 94 10.998 -12.889 -4.719 1.00 1.11 H new ATOM 0 HB2 LYS A 94 8.270 -13.970 -5.319 1.00 1.50 H new ATOM 0 HB3 LYS A 94 9.181 -14.591 -3.957 1.00 1.50 H new ATOM 0 HG2 LYS A 94 9.539 -12.341 -3.068 1.00 1.89 H new ATOM 0 HG3 LYS A 94 8.885 -11.606 -4.518 1.00 1.89 H new ATOM 0 HD2 LYS A 94 7.441 -11.674 -2.368 1.00 2.48 H new ATOM 0 HD3 LYS A 94 6.691 -11.999 -3.918 1.00 2.48 H new ATOM 0 HE2 LYS A 94 6.818 -14.457 -3.443 1.00 2.07 H new ATOM 0 HE3 LYS A 94 7.518 -14.104 -1.875 1.00 2.07 H new ATOM 0 HZ1 LYS A 94 5.247 -14.360 -1.500 1.00 2.55 H new ATOM 0 HZ2 LYS A 94 5.477 -12.678 -1.491 1.00 2.55 H new ATOM 0 HZ3 LYS A 94 4.807 -13.436 -2.855 1.00 2.55 H new ATOM 1553 N ILE A 95 11.237 -15.166 -6.934 1.00 1.41 N ATOM 1554 CA ILE A 95 12.204 -16.130 -7.422 1.00 1.67 C ATOM 1555 C ILE A 95 13.640 -15.625 -7.191 1.00 1.68 C ATOM 1556 O ILE A 95 14.562 -16.438 -7.168 1.00 1.87 O ATOM 1557 CB ILE A 95 11.884 -16.452 -8.899 1.00 1.91 C ATOM 1558 CG1 ILE A 95 10.531 -17.189 -8.983 1.00 2.78 C ATOM 1559 CG2 ILE A 95 12.984 -17.291 -9.568 1.00 3.10 C ATOM 1560 CD1 ILE A 95 9.912 -17.163 -10.385 1.00 2.98 C ATOM 0 H ILE A 95 10.583 -14.841 -7.647 1.00 1.41 H new ATOM 0 HA ILE A 95 12.134 -17.063 -6.864 1.00 1.67 H new ATOM 0 HB ILE A 95 11.831 -15.507 -9.439 1.00 1.91 H new ATOM 0 HG12 ILE A 95 10.670 -18.225 -8.674 1.00 2.78 H new ATOM 0 HG13 ILE A 95 9.834 -16.736 -8.277 1.00 2.78 H new ATOM 0 HG21 ILE A 95 12.711 -17.490 -10.604 1.00 3.10 H new ATOM 0 HG22 ILE A 95 13.926 -16.744 -9.540 1.00 3.10 H new ATOM 0 HG23 ILE A 95 13.096 -18.235 -9.035 1.00 3.10 H new ATOM 0 HD11 ILE A 95 8.963 -17.699 -10.374 1.00 2.98 H new ATOM 0 HD12 ILE A 95 9.742 -16.130 -10.689 1.00 2.98 H new ATOM 0 HD13 ILE A 95 10.590 -17.642 -11.091 1.00 2.98 H new ATOM 1572 N ARG A 96 13.852 -14.314 -6.992 1.00 1.60 N ATOM 1573 CA ARG A 96 15.135 -13.720 -6.642 1.00 1.72 C ATOM 1574 C ARG A 96 16.069 -13.675 -7.852 1.00 2.10 C ATOM 1575 O ARG A 96 16.480 -12.601 -8.284 1.00 2.63 O ATOM 1576 CB ARG A 96 15.767 -14.437 -5.428 1.00 1.85 C ATOM 1577 CG ARG A 96 16.416 -13.453 -4.450 1.00 1.89 C ATOM 1578 CD ARG A 96 17.688 -12.767 -4.954 1.00 2.74 C ATOM 1579 NE ARG A 96 17.894 -11.474 -4.268 1.00 3.31 N ATOM 1580 CZ ARG A 96 19.074 -10.834 -4.186 1.00 4.21 C ATOM 1581 NH1 ARG A 96 20.177 -11.423 -4.665 1.00 4.72 N ATOM 1582 NH2 ARG A 96 19.177 -9.616 -3.640 1.00 5.34 N ATOM 0 H ARG A 96 13.106 -13.624 -7.075 1.00 1.60 H new ATOM 0 HA ARG A 96 14.965 -12.687 -6.340 1.00 1.72 H new ATOM 0 HB2 ARG A 96 15.001 -15.012 -4.908 1.00 1.85 H new ATOM 0 HB3 ARG A 96 16.516 -15.148 -5.777 1.00 1.85 H new ATOM 0 HG2 ARG A 96 15.686 -12.685 -4.196 1.00 1.89 H new ATOM 0 HG3 ARG A 96 16.652 -13.985 -3.529 1.00 1.89 H new ATOM 0 HD2 ARG A 96 18.548 -13.415 -4.784 1.00 2.74 H new ATOM 0 HD3 ARG A 96 17.618 -12.606 -6.030 1.00 2.74 H new ATOM 0 HE ARG A 96 17.085 -11.037 -3.826 1.00 3.31 H new ATOM 0 HH11 ARG A 96 20.118 -12.349 -5.088 1.00 4.72 H new ATOM 0 HH12 ARG A 96 21.076 -10.945 -4.607 1.00 4.72 H new ATOM 0 HH21 ARG A 96 18.347 -9.150 -3.273 1.00 5.34 H new ATOM 0 HH22 ARG A 96 20.085 -9.154 -3.591 1.00 5.34 H new ATOM 1681 N GLU B 4 12.032 -14.940 -1.002 1.00 1.90 N ATOM 1682 CA GLU B 4 13.305 -14.319 -1.398 1.00 1.60 C ATOM 1683 C GLU B 4 13.951 -13.890 -0.069 1.00 1.49 C ATOM 1684 O GLU B 4 13.488 -14.402 0.948 1.00 2.19 O ATOM 1685 CB GLU B 4 13.075 -13.281 -2.518 1.00 1.64 C ATOM 1686 CG GLU B 4 13.066 -11.759 -2.277 1.00 1.91 C ATOM 1687 CD GLU B 4 13.315 -10.952 -3.549 1.00 2.60 C ATOM 1688 OE1 GLU B 4 14.498 -10.679 -3.866 1.00 3.12 O ATOM 1689 OE2 GLU B 4 12.311 -10.611 -4.204 1.00 3.65 O ATOM 0 HA GLU B 4 14.030 -14.964 -1.895 1.00 1.60 H new ATOM 0 HB2 GLU B 4 13.840 -13.468 -3.272 1.00 1.64 H new ATOM 0 HB3 GLU B 4 12.114 -13.526 -2.971 1.00 1.64 H new ATOM 0 HG2 GLU B 4 12.105 -11.470 -1.852 1.00 1.91 H new ATOM 0 HG3 GLU B 4 13.829 -11.509 -1.540 1.00 1.91 H new ATOM 1696 N PRO B 5 15.073 -13.159 0.042 1.00 1.48 N ATOM 1697 CA PRO B 5 15.381 -12.445 1.293 1.00 1.70 C ATOM 1698 C PRO B 5 14.228 -11.500 1.733 1.00 1.46 C ATOM 1699 O PRO B 5 14.372 -10.281 1.755 1.00 1.79 O ATOM 1700 CB PRO B 5 16.692 -11.701 1.004 1.00 2.46 C ATOM 1701 CG PRO B 5 16.635 -11.476 -0.508 1.00 2.68 C ATOM 1702 CD PRO B 5 15.997 -12.770 -1.009 1.00 1.89 C ATOM 0 HA PRO B 5 15.489 -13.126 2.138 1.00 1.70 H new ATOM 0 HB2 PRO B 5 16.750 -10.759 1.550 1.00 2.46 H new ATOM 0 HB3 PRO B 5 17.562 -12.291 1.292 1.00 2.46 H new ATOM 0 HG2 PRO B 5 16.037 -10.602 -0.766 1.00 2.68 H new ATOM 0 HG3 PRO B 5 17.627 -11.321 -0.933 1.00 2.68 H new ATOM 0 HD2 PRO B 5 15.478 -12.615 -1.955 1.00 1.89 H new ATOM 0 HD3 PRO B 5 16.748 -13.541 -1.181 1.00 1.89 H new ATOM 1710 N LEU B 6 13.077 -12.090 2.073 1.00 1.53 N ATOM 1711 CA LEU B 6 11.721 -11.582 2.012 1.00 1.85 C ATOM 1712 C LEU B 6 11.149 -11.080 3.331 1.00 1.41 C ATOM 1713 O LEU B 6 10.468 -11.846 4.016 1.00 1.75 O ATOM 1714 CB LEU B 6 11.490 -10.688 0.789 1.00 1.48 C ATOM 1715 CG LEU B 6 10.157 -10.927 0.062 1.00 1.39 C ATOM 1716 CD1 LEU B 6 9.874 -12.364 -0.399 1.00 2.23 C ATOM 1717 CD2 LEU B 6 8.995 -10.486 0.930 1.00 2.10 C ATOM 0 H LEU B 6 13.086 -13.043 2.438 1.00 1.53 H new ATOM 0 HA LEU B 6 11.088 -12.453 1.842 1.00 1.85 H new ATOM 0 HB2 LEU B 6 11.535 -9.646 1.104 1.00 1.48 H new ATOM 0 HB3 LEU B 6 12.306 -10.843 0.083 1.00 1.48 H new ATOM 0 HG LEU B 6 10.259 -10.331 -0.845 1.00 1.39 H new ATOM 0 HD11 LEU B 6 8.905 -12.402 -0.897 1.00 2.23 H new ATOM 0 HD12 LEU B 6 10.652 -12.683 -1.093 1.00 2.23 H new ATOM 0 HD13 LEU B 6 9.864 -13.028 0.465 1.00 2.23 H new ATOM 0 HD21 LEU B 6 8.058 -10.662 0.401 1.00 2.10 H new ATOM 0 HD22 LEU B 6 8.999 -11.055 1.860 1.00 2.10 H new ATOM 0 HD23 LEU B 6 9.091 -9.424 1.154 1.00 2.10 H new ATOM 1729 N THR B 7 11.332 -9.807 3.677 1.00 1.26 N ATOM 1730 CA THR B 7 10.730 -9.283 4.894 1.00 1.12 C ATOM 1731 C THR B 7 9.274 -8.920 4.629 1.00 1.07 C ATOM 1732 O THR B 7 8.919 -8.511 3.527 1.00 1.18 O ATOM 1733 CB THR B 7 11.483 -8.042 5.369 1.00 1.11 C ATOM 1734 OG1 THR B 7 11.271 -6.983 4.456 1.00 2.72 O ATOM 1735 CG2 THR B 7 11.072 -7.656 6.797 1.00 1.16 C ATOM 0 H THR B 7 11.881 -9.134 3.142 1.00 1.26 H new ATOM 0 HA THR B 7 10.784 -10.048 5.668 1.00 1.12 H new ATOM 0 HB THR B 7 12.550 -8.262 5.400 1.00 1.11 H new ATOM 0 HG1 THR B 7 12.003 -6.961 3.804 1.00 2.72 H new ATOM 0 HG21 THR B 7 11.625 -6.769 7.108 1.00 1.16 H new ATOM 0 HG22 THR B 7 10.003 -7.445 6.823 1.00 1.16 H new ATOM 0 HG23 THR B 7 11.296 -8.479 7.475 1.00 1.16 H new ATOM 1743 N GLU B 8 8.427 -9.022 5.641 1.00 1.05 N ATOM 1744 CA GLU B 8 7.012 -8.712 5.546 1.00 1.08 C ATOM 1745 C GLU B 8 6.717 -7.259 5.129 1.00 1.11 C ATOM 1746 O GLU B 8 5.654 -6.996 4.556 1.00 1.18 O ATOM 1747 CB GLU B 8 6.365 -9.150 6.860 1.00 1.33 C ATOM 1748 CG GLU B 8 6.122 -10.671 6.772 1.00 2.11 C ATOM 1749 CD GLU B 8 5.734 -11.337 8.087 1.00 2.61 C ATOM 1750 OE1 GLU B 8 5.425 -10.597 9.043 1.00 2.96 O ATOM 1751 OE2 GLU B 8 5.818 -12.588 8.121 1.00 3.86 O ATOM 0 H GLU B 8 8.712 -9.329 6.571 1.00 1.05 H new ATOM 0 HA GLU B 8 6.560 -9.268 4.725 1.00 1.08 H new ATOM 0 HB2 GLU B 8 7.013 -8.913 7.704 1.00 1.33 H new ATOM 0 HB3 GLU B 8 5.426 -8.620 7.020 1.00 1.33 H new ATOM 0 HG2 GLU B 8 5.335 -10.857 6.042 1.00 2.11 H new ATOM 0 HG3 GLU B 8 7.026 -11.147 6.394 1.00 2.11 H new ATOM 1758 N LEU B 9 7.638 -6.310 5.348 1.00 1.18 N ATOM 1759 CA LEU B 9 7.436 -4.952 4.859 1.00 1.31 C ATOM 1760 C LEU B 9 7.502 -5.005 3.335 1.00 1.39 C ATOM 1761 O LEU B 9 6.617 -4.490 2.654 1.00 1.56 O ATOM 1762 CB LEU B 9 8.515 -4.002 5.394 1.00 1.47 C ATOM 1763 CG LEU B 9 8.427 -3.579 6.878 1.00 1.48 C ATOM 1764 CD1 LEU B 9 7.206 -2.683 7.144 1.00 1.78 C ATOM 1765 CD2 LEU B 9 8.516 -4.723 7.911 1.00 2.31 C ATOM 0 H LEU B 9 8.512 -6.459 5.852 1.00 1.18 H new ATOM 0 HA LEU B 9 6.472 -4.574 5.201 1.00 1.31 H new ATOM 0 HB2 LEU B 9 9.485 -4.473 5.236 1.00 1.47 H new ATOM 0 HB3 LEU B 9 8.497 -3.098 4.786 1.00 1.47 H new ATOM 0 HG LEU B 9 9.337 -3.000 7.036 1.00 1.48 H new ATOM 0 HD11 LEU B 9 7.180 -2.407 8.198 1.00 1.78 H new ATOM 0 HD12 LEU B 9 7.276 -1.782 6.535 1.00 1.78 H new ATOM 0 HD13 LEU B 9 6.295 -3.224 6.888 1.00 1.78 H new ATOM 0 HD21 LEU B 9 8.443 -4.311 8.917 1.00 2.31 H new ATOM 0 HD22 LEU B 9 7.699 -5.426 7.747 1.00 2.31 H new ATOM 0 HD23 LEU B 9 9.468 -5.241 7.799 1.00 2.31 H new ATOM 1777 N GLU B 10 8.545 -5.663 2.813 1.00 1.35 N ATOM 1778 CA GLU B 10 8.679 -5.887 1.390 1.00 1.41 C ATOM 1779 C GLU B 10 7.457 -6.661 0.877 1.00 1.34 C ATOM 1780 O GLU B 10 6.744 -6.183 0.000 1.00 1.53 O ATOM 1781 CB GLU B 10 10.028 -6.558 1.073 1.00 1.40 C ATOM 1782 CG GLU B 10 10.069 -6.816 -0.433 1.00 1.17 C ATOM 1783 CD GLU B 10 11.439 -7.065 -1.054 1.00 2.57 C ATOM 1784 OE1 GLU B 10 12.176 -7.904 -0.501 1.00 4.03 O ATOM 1785 OE2 GLU B 10 11.736 -6.387 -2.065 1.00 3.07 O ATOM 0 H GLU B 10 9.308 -6.048 3.370 1.00 1.35 H new ATOM 0 HA GLU B 10 8.694 -4.938 0.854 1.00 1.41 H new ATOM 0 HB2 GLU B 10 10.856 -5.916 1.375 1.00 1.40 H new ATOM 0 HB3 GLU B 10 10.131 -7.492 1.625 1.00 1.40 H new ATOM 0 HG2 GLU B 10 9.438 -7.679 -0.646 1.00 1.17 H new ATOM 0 HG3 GLU B 10 9.619 -5.960 -0.936 1.00 1.17 H new ATOM 1792 N GLU B 11 7.185 -7.829 1.465 1.00 1.20 N ATOM 1793 CA GLU B 11 6.124 -8.760 1.084 1.00 1.23 C ATOM 1794 C GLU B 11 4.813 -8.027 0.818 1.00 1.20 C ATOM 1795 O GLU B 11 4.124 -8.315 -0.157 1.00 1.36 O ATOM 1796 CB GLU B 11 5.956 -9.835 2.177 1.00 1.23 C ATOM 1797 CG GLU B 11 5.597 -11.241 1.671 1.00 1.56 C ATOM 1798 CD GLU B 11 4.455 -11.246 0.675 1.00 2.68 C ATOM 1799 OE1 GLU B 11 3.353 -10.806 1.057 1.00 3.68 O ATOM 1800 OE2 GLU B 11 4.712 -11.705 -0.460 1.00 4.08 O ATOM 0 H GLU B 11 7.728 -8.166 2.260 1.00 1.20 H new ATOM 0 HA GLU B 11 6.408 -9.252 0.154 1.00 1.23 H new ATOM 0 HB2 GLU B 11 6.884 -9.898 2.746 1.00 1.23 H new ATOM 0 HB3 GLU B 11 5.180 -9.507 2.868 1.00 1.23 H new ATOM 0 HG2 GLU B 11 6.476 -11.688 1.207 1.00 1.56 H new ATOM 0 HG3 GLU B 11 5.331 -11.869 2.521 1.00 1.56 H new ATOM 1807 N SER B 12 4.492 -7.034 1.651 1.00 1.10 N ATOM 1808 CA SER B 12 3.256 -6.294 1.492 1.00 1.14 C ATOM 1809 C SER B 12 3.156 -5.723 0.074 1.00 1.05 C ATOM 1810 O SER B 12 2.119 -5.809 -0.587 1.00 1.11 O ATOM 1811 CB SER B 12 3.203 -5.182 2.540 1.00 1.34 C ATOM 1812 OG SER B 12 3.267 -5.702 3.857 1.00 2.10 O ATOM 0 H SER B 12 5.072 -6.732 2.434 1.00 1.10 H new ATOM 0 HA SER B 12 2.406 -6.960 1.639 1.00 1.14 H new ATOM 0 HB2 SER B 12 4.031 -4.491 2.380 1.00 1.34 H new ATOM 0 HB3 SER B 12 2.283 -4.610 2.418 1.00 1.34 H new ATOM 0 HG SER B 12 4.158 -6.076 4.018 1.00 2.10 H new ATOM 1818 N ILE B 13 4.262 -5.152 -0.400 1.00 0.97 N ATOM 1819 CA ILE B 13 4.355 -4.561 -1.717 1.00 0.91 C ATOM 1820 C ILE B 13 4.245 -5.662 -2.762 1.00 0.93 C ATOM 1821 O ILE B 13 3.436 -5.541 -3.677 1.00 0.90 O ATOM 1822 CB ILE B 13 5.659 -3.753 -1.837 1.00 0.92 C ATOM 1823 CG1 ILE B 13 5.618 -2.600 -0.827 1.00 1.05 C ATOM 1824 CG2 ILE B 13 5.965 -3.186 -3.232 1.00 0.87 C ATOM 1825 CD1 ILE B 13 7.017 -2.300 -0.331 1.00 0.96 C ATOM 0 H ILE B 13 5.128 -5.090 0.135 1.00 0.97 H new ATOM 0 HA ILE B 13 3.536 -3.862 -1.885 1.00 0.91 H new ATOM 0 HB ILE B 13 6.462 -4.462 -1.633 1.00 0.92 H new ATOM 0 HG12 ILE B 13 5.190 -1.712 -1.292 1.00 1.05 H new ATOM 0 HG13 ILE B 13 4.974 -2.863 0.012 1.00 1.05 H new ATOM 0 HG21 ILE B 13 6.905 -2.635 -3.203 1.00 0.87 H new ATOM 0 HG22 ILE B 13 6.046 -4.004 -3.948 1.00 0.87 H new ATOM 0 HG23 ILE B 13 5.161 -2.516 -3.537 1.00 0.87 H new ATOM 0 HD11 ILE B 13 6.981 -1.480 0.386 1.00 0.96 H new ATOM 0 HD12 ILE B 13 7.430 -3.186 0.151 1.00 0.96 H new ATOM 0 HD13 ILE B 13 7.649 -2.018 -1.173 1.00 0.96 H new ATOM 1837 N GLU B 14 5.039 -6.727 -2.618 1.00 1.04 N ATOM 1838 CA GLU B 14 5.063 -7.856 -3.543 1.00 1.15 C ATOM 1839 C GLU B 14 3.645 -8.386 -3.778 1.00 1.13 C ATOM 1840 O GLU B 14 3.189 -8.531 -4.917 1.00 1.17 O ATOM 1841 CB GLU B 14 6.004 -8.955 -3.030 1.00 1.39 C ATOM 1842 CG GLU B 14 7.353 -8.402 -2.547 1.00 2.55 C ATOM 1843 CD GLU B 14 7.921 -7.340 -3.473 1.00 4.48 C ATOM 1844 OE1 GLU B 14 8.378 -7.700 -4.577 1.00 4.97 O ATOM 1845 OE2 GLU B 14 7.850 -6.134 -3.146 1.00 6.01 O ATOM 0 H GLU B 14 5.693 -6.827 -1.841 1.00 1.04 H new ATOM 0 HA GLU B 14 5.451 -7.516 -4.503 1.00 1.15 H new ATOM 0 HB2 GLU B 14 5.521 -9.489 -2.212 1.00 1.39 H new ATOM 0 HB3 GLU B 14 6.177 -9.680 -3.825 1.00 1.39 H new ATOM 0 HG2 GLU B 14 7.231 -7.980 -1.550 1.00 2.55 H new ATOM 0 HG3 GLU B 14 8.066 -9.222 -2.461 1.00 2.55 H new ATOM 1852 N THR B 15 2.944 -8.632 -2.674 1.00 1.13 N ATOM 1853 CA THR B 15 1.545 -9.010 -2.657 1.00 1.16 C ATOM 1854 C THR B 15 0.725 -8.005 -3.463 1.00 1.11 C ATOM 1855 O THR B 15 0.061 -8.409 -4.414 1.00 1.18 O ATOM 1856 CB THR B 15 1.053 -9.229 -1.216 1.00 1.23 C ATOM 1857 OG1 THR B 15 1.515 -10.497 -0.798 1.00 1.18 O ATOM 1858 CG2 THR B 15 -0.476 -9.265 -1.135 1.00 1.25 C ATOM 0 H THR B 15 3.352 -8.570 -1.741 1.00 1.13 H new ATOM 0 HA THR B 15 1.410 -9.973 -3.150 1.00 1.16 H new ATOM 0 HB THR B 15 1.422 -8.411 -0.598 1.00 1.23 H new ATOM 0 HG1 THR B 15 2.125 -10.389 -0.039 1.00 1.18 H new ATOM 0 HG21 THR B 15 -0.782 -9.421 -0.101 1.00 1.25 H new ATOM 0 HG22 THR B 15 -0.882 -8.319 -1.494 1.00 1.25 H new ATOM 0 HG23 THR B 15 -0.854 -10.080 -1.752 1.00 1.25 H new ATOM 1866 N VAL B 16 0.766 -6.707 -3.149 1.00 1.02 N ATOM 1867 CA VAL B 16 0.005 -5.733 -3.918 1.00 0.96 C ATOM 1868 C VAL B 16 0.327 -5.833 -5.418 1.00 0.96 C ATOM 1869 O VAL B 16 -0.580 -6.020 -6.231 1.00 0.97 O ATOM 1870 CB VAL B 16 0.240 -4.324 -3.355 1.00 0.90 C ATOM 1871 CG1 VAL B 16 -0.314 -3.274 -4.314 1.00 0.89 C ATOM 1872 CG2 VAL B 16 -0.455 -4.141 -2.001 1.00 0.98 C ATOM 0 H VAL B 16 1.310 -6.316 -2.380 1.00 1.02 H new ATOM 0 HA VAL B 16 -1.058 -5.953 -3.821 1.00 0.96 H new ATOM 0 HB VAL B 16 1.316 -4.202 -3.231 1.00 0.90 H new ATOM 0 HG11 VAL B 16 -0.141 -2.279 -3.904 1.00 0.89 H new ATOM 0 HG12 VAL B 16 0.187 -3.361 -5.278 1.00 0.89 H new ATOM 0 HG13 VAL B 16 -1.384 -3.431 -4.446 1.00 0.89 H new ATOM 0 HG21 VAL B 16 -0.269 -3.133 -1.630 1.00 0.98 H new ATOM 0 HG22 VAL B 16 -1.528 -4.292 -2.119 1.00 0.98 H new ATOM 0 HG23 VAL B 16 -0.063 -4.868 -1.290 1.00 0.98 H new ATOM 1882 N VAL B 17 1.604 -5.704 -5.803 1.00 0.99 N ATOM 1883 CA VAL B 17 1.981 -5.653 -7.212 1.00 1.06 C ATOM 1884 C VAL B 17 1.516 -6.903 -7.967 1.00 1.04 C ATOM 1885 O VAL B 17 1.092 -6.786 -9.122 1.00 1.09 O ATOM 1886 CB VAL B 17 3.469 -5.340 -7.446 1.00 1.05 C ATOM 1887 CG1 VAL B 17 3.843 -3.957 -6.897 1.00 1.34 C ATOM 1888 CG2 VAL B 17 4.400 -6.396 -6.856 1.00 1.00 C ATOM 0 H VAL B 17 2.389 -5.634 -5.155 1.00 0.99 H new ATOM 0 HA VAL B 17 1.447 -4.801 -7.634 1.00 1.06 H new ATOM 0 HB VAL B 17 3.606 -5.347 -8.527 1.00 1.05 H new ATOM 0 HG11 VAL B 17 4.901 -3.767 -7.079 1.00 1.34 H new ATOM 0 HG12 VAL B 17 3.246 -3.194 -7.397 1.00 1.34 H new ATOM 0 HG13 VAL B 17 3.648 -3.926 -5.825 1.00 1.34 H new ATOM 0 HG21 VAL B 17 5.436 -6.119 -7.054 1.00 1.00 H new ATOM 0 HG22 VAL B 17 4.241 -6.461 -5.780 1.00 1.00 H new ATOM 0 HG23 VAL B 17 4.189 -7.363 -7.313 1.00 1.00 H new ATOM 1898 N THR B 18 1.578 -8.088 -7.346 1.00 1.03 N ATOM 1899 CA THR B 18 1.070 -9.292 -7.992 1.00 1.13 C ATOM 1900 C THR B 18 -0.464 -9.336 -7.962 1.00 1.09 C ATOM 1901 O THR B 18 -1.072 -9.791 -8.930 1.00 1.10 O ATOM 1902 CB THR B 18 1.740 -10.565 -7.443 1.00 1.49 C ATOM 1903 OG1 THR B 18 1.607 -11.617 -8.377 1.00 1.63 O ATOM 1904 CG2 THR B 18 1.191 -11.039 -6.097 1.00 1.84 C ATOM 0 H THR B 18 1.968 -8.232 -6.415 1.00 1.03 H new ATOM 0 HA THR B 18 1.347 -9.254 -9.045 1.00 1.13 H new ATOM 0 HB THR B 18 2.784 -10.297 -7.282 1.00 1.49 H new ATOM 0 HG1 THR B 18 2.036 -12.424 -8.024 1.00 1.63 H new ATOM 0 HG21 THR B 18 1.719 -11.940 -5.786 1.00 1.84 H new ATOM 0 HG22 THR B 18 1.334 -10.258 -5.350 1.00 1.84 H new ATOM 0 HG23 THR B 18 0.128 -11.257 -6.194 1.00 1.84 H new ATOM 1912 N THR B 19 -1.101 -8.872 -6.880 1.00 1.14 N ATOM 1913 CA THR B 19 -2.546 -8.994 -6.700 1.00 1.28 C ATOM 1914 C THR B 19 -3.313 -8.344 -7.850 1.00 1.18 C ATOM 1915 O THR B 19 -4.341 -8.875 -8.255 1.00 1.38 O ATOM 1916 CB THR B 19 -2.976 -8.474 -5.320 1.00 1.40 C ATOM 1917 OG1 THR B 19 -2.466 -9.345 -4.335 1.00 1.62 O ATOM 1918 CG2 THR B 19 -4.496 -8.446 -5.141 1.00 1.63 C ATOM 0 H THR B 19 -0.627 -8.403 -6.108 1.00 1.14 H new ATOM 0 HA THR B 19 -2.804 -10.053 -6.728 1.00 1.28 H new ATOM 0 HB THR B 19 -2.595 -7.457 -5.230 1.00 1.40 H new ATOM 0 HG1 THR B 19 -1.493 -9.244 -4.281 1.00 1.62 H new ATOM 0 HG21 THR B 19 -4.738 -8.070 -4.147 1.00 1.63 H new ATOM 0 HG22 THR B 19 -4.939 -7.794 -5.894 1.00 1.63 H new ATOM 0 HG23 THR B 19 -4.894 -9.454 -5.254 1.00 1.63 H new ATOM 1926 N PHE B 20 -2.797 -7.258 -8.441 1.00 0.98 N ATOM 1927 CA PHE B 20 -3.389 -6.671 -9.646 1.00 1.03 C ATOM 1928 C PHE B 20 -3.737 -7.703 -10.731 1.00 1.18 C ATOM 1929 O PHE B 20 -4.617 -7.451 -11.549 1.00 1.32 O ATOM 1930 CB PHE B 20 -2.460 -5.621 -10.253 1.00 0.91 C ATOM 1931 CG PHE B 20 -2.335 -4.346 -9.455 1.00 0.84 C ATOM 1932 CD1 PHE B 20 -3.315 -3.344 -9.562 1.00 1.22 C ATOM 1933 CD2 PHE B 20 -1.180 -4.114 -8.695 1.00 1.96 C ATOM 1934 CE1 PHE B 20 -3.107 -2.099 -8.948 1.00 1.20 C ATOM 1935 CE2 PHE B 20 -0.950 -2.856 -8.119 1.00 2.02 C ATOM 1936 CZ PHE B 20 -1.892 -1.831 -8.297 1.00 0.97 C ATOM 0 H PHE B 20 -1.969 -6.769 -8.102 1.00 0.98 H new ATOM 0 HA PHE B 20 -4.321 -6.215 -9.313 1.00 1.03 H new ATOM 0 HB2 PHE B 20 -1.468 -6.058 -10.370 1.00 0.91 H new ATOM 0 HB3 PHE B 20 -2.819 -5.374 -11.252 1.00 0.91 H new ATOM 0 HD1 PHE B 20 -4.224 -3.531 -10.114 1.00 1.22 H new ATOM 0 HD2 PHE B 20 -0.463 -4.909 -8.552 1.00 1.96 H new ATOM 0 HE1 PHE B 20 -3.882 -1.347 -8.976 1.00 1.20 H new ATOM 0 HE2 PHE B 20 -0.054 -2.677 -7.543 1.00 2.02 H new ATOM 0 HZ PHE B 20 -1.682 -0.836 -7.933 1.00 0.97 H new ATOM 1946 N PHE B 21 -3.022 -8.833 -10.777 1.00 1.23 N ATOM 1947 CA PHE B 21 -3.299 -9.926 -11.700 1.00 1.46 C ATOM 1948 C PHE B 21 -4.757 -10.405 -11.600 1.00 1.48 C ATOM 1949 O PHE B 21 -5.360 -10.740 -12.616 1.00 1.57 O ATOM 1950 CB PHE B 21 -2.302 -11.063 -11.435 1.00 1.78 C ATOM 1951 CG PHE B 21 -2.227 -12.112 -12.527 1.00 2.50 C ATOM 1952 CD1 PHE B 21 -1.377 -11.913 -13.632 1.00 2.28 C ATOM 1953 CD2 PHE B 21 -2.953 -13.312 -12.411 1.00 4.42 C ATOM 1954 CE1 PHE B 21 -1.239 -12.917 -14.606 1.00 3.19 C ATOM 1955 CE2 PHE B 21 -2.813 -14.316 -13.385 1.00 5.20 C ATOM 1956 CZ PHE B 21 -1.953 -14.121 -14.480 1.00 4.33 C ATOM 0 H PHE B 21 -2.226 -9.011 -10.164 1.00 1.23 H new ATOM 0 HA PHE B 21 -3.172 -9.571 -12.723 1.00 1.46 H new ATOM 0 HB2 PHE B 21 -1.310 -10.632 -11.296 1.00 1.78 H new ATOM 0 HB3 PHE B 21 -2.571 -11.552 -10.499 1.00 1.78 H new ATOM 0 HD1 PHE B 21 -0.830 -10.987 -13.731 1.00 2.28 H new ATOM 0 HD2 PHE B 21 -3.618 -13.462 -11.573 1.00 4.42 H new ATOM 0 HE1 PHE B 21 -0.584 -12.763 -15.451 1.00 3.19 H new ATOM 0 HE2 PHE B 21 -3.367 -15.238 -13.292 1.00 5.20 H new ATOM 0 HZ PHE B 21 -1.841 -14.896 -15.224 1.00 4.33 H new ATOM 1966 N THR B 22 -5.325 -10.434 -10.388 1.00 1.63 N ATOM 1967 CA THR B 22 -6.728 -10.758 -10.149 1.00 2.02 C ATOM 1968 C THR B 22 -7.513 -9.452 -9.969 1.00 1.98 C ATOM 1969 O THR B 22 -7.244 -8.681 -9.053 1.00 2.35 O ATOM 1970 CB THR B 22 -6.875 -11.735 -8.959 1.00 2.57 C ATOM 1971 OG1 THR B 22 -8.240 -11.926 -8.639 1.00 4.53 O ATOM 1972 CG2 THR B 22 -6.122 -11.329 -7.689 1.00 3.01 C ATOM 0 H THR B 22 -4.808 -10.228 -9.533 1.00 1.63 H new ATOM 0 HA THR B 22 -7.149 -11.282 -11.007 1.00 2.02 H new ATOM 0 HB THR B 22 -6.416 -12.660 -9.307 1.00 2.57 H new ATOM 0 HG1 THR B 22 -8.344 -11.979 -7.666 1.00 4.53 H new ATOM 0 HG21 THR B 22 -6.287 -12.077 -6.913 1.00 3.01 H new ATOM 0 HG22 THR B 22 -5.056 -11.260 -7.905 1.00 3.01 H new ATOM 0 HG23 THR B 22 -6.486 -10.361 -7.344 1.00 3.01 H new ATOM 2097 N LYS B 30 -2.094 -4.627 -16.921 1.00 1.81 N ATOM 2098 CA LYS B 30 -1.286 -3.469 -17.287 1.00 1.97 C ATOM 2099 C LYS B 30 -0.458 -3.052 -16.062 1.00 2.04 C ATOM 2100 O LYS B 30 0.458 -3.777 -15.668 1.00 2.92 O ATOM 2101 CB LYS B 30 -2.196 -2.359 -17.850 1.00 2.21 C ATOM 2102 CG LYS B 30 -2.979 -2.834 -19.084 1.00 2.57 C ATOM 2103 CD LYS B 30 -4.480 -2.979 -18.783 1.00 3.43 C ATOM 2104 CE LYS B 30 -5.265 -1.657 -18.754 1.00 3.41 C ATOM 2105 NZ LYS B 30 -5.208 -0.927 -20.037 1.00 3.73 N ATOM 0 HA LYS B 30 -0.580 -3.700 -18.084 1.00 1.97 H new ATOM 0 HB2 LYS B 30 -2.895 -2.036 -17.078 1.00 2.21 H new ATOM 0 HB3 LYS B 30 -1.591 -1.492 -18.115 1.00 2.21 H new ATOM 0 HG2 LYS B 30 -2.838 -2.125 -19.900 1.00 2.57 H new ATOM 0 HG3 LYS B 30 -2.581 -3.791 -19.421 1.00 2.57 H new ATOM 0 HD2 LYS B 30 -4.925 -3.632 -19.534 1.00 3.43 H new ATOM 0 HD3 LYS B 30 -4.596 -3.475 -17.819 1.00 3.43 H new ATOM 0 HE2 LYS B 30 -6.306 -1.864 -18.505 1.00 3.41 H new ATOM 0 HE3 LYS B 30 -4.868 -1.022 -17.962 1.00 3.41 H new ATOM 0 HZ1 LYS B 30 -6.108 -0.430 -20.194 1.00 3.73 H new ATOM 0 HZ2 LYS B 30 -4.431 -0.236 -20.009 1.00 3.73 H new ATOM 0 HZ3 LYS B 30 -5.045 -1.600 -20.813 1.00 3.73 H new ATOM 2119 N ASP B 31 -0.835 -1.950 -15.405 1.00 1.57 N ATOM 2120 CA ASP B 31 -0.338 -1.575 -14.090 1.00 1.56 C ATOM 2121 C ASP B 31 -1.508 -1.723 -13.120 1.00 1.42 C ATOM 2122 O ASP B 31 -1.549 -2.687 -12.358 1.00 1.57 O ATOM 2123 CB ASP B 31 0.231 -0.147 -14.080 1.00 1.80 C ATOM 2124 CG ASP B 31 1.622 0.013 -14.685 1.00 2.29 C ATOM 2125 OD1 ASP B 31 2.126 -0.959 -15.289 1.00 3.29 O ATOM 2126 OD2 ASP B 31 2.182 1.116 -14.494 1.00 2.89 O ATOM 0 H ASP B 31 -1.508 -1.285 -15.786 1.00 1.57 H new ATOM 0 HA ASP B 31 0.490 -2.220 -13.796 1.00 1.56 H new ATOM 0 HB2 ASP B 31 -0.457 0.503 -14.620 1.00 1.80 H new ATOM 0 HB3 ASP B 31 0.260 0.206 -13.049 1.00 1.80 H new ATOM 2131 N SER B 32 -2.466 -0.790 -13.187 1.00 1.34 N ATOM 2132 CA SER B 32 -3.734 -0.827 -12.467 1.00 1.17 C ATOM 2133 C SER B 32 -4.895 -0.664 -13.470 1.00 1.19 C ATOM 2134 O SER B 32 -4.732 -0.974 -14.651 1.00 1.40 O ATOM 2135 CB SER B 32 -3.707 0.251 -11.376 1.00 1.09 C ATOM 2136 OG SER B 32 -4.888 0.254 -10.589 1.00 1.57 O ATOM 0 H SER B 32 -2.370 0.042 -13.769 1.00 1.34 H new ATOM 0 HA SER B 32 -3.888 -1.785 -11.970 1.00 1.17 H new ATOM 0 HB2 SER B 32 -2.844 0.089 -10.730 1.00 1.09 H new ATOM 0 HB3 SER B 32 -3.580 1.230 -11.839 1.00 1.09 H new ATOM 0 HG SER B 32 -5.063 1.162 -10.266 1.00 1.57 H new ATOM 2142 N LEU B 33 -6.066 -0.224 -12.992 1.00 1.07 N ATOM 2143 CA LEU B 33 -7.323 -0.176 -13.735 1.00 1.15 C ATOM 2144 C LEU B 33 -7.588 1.252 -14.205 1.00 1.11 C ATOM 2145 O LEU B 33 -6.781 2.146 -13.969 1.00 1.03 O ATOM 2146 CB LEU B 33 -8.522 -0.632 -12.874 1.00 1.10 C ATOM 2147 CG LEU B 33 -8.274 -1.418 -11.581 1.00 1.27 C ATOM 2148 CD1 LEU B 33 -9.634 -1.915 -11.087 1.00 2.54 C ATOM 2149 CD2 LEU B 33 -7.385 -2.644 -11.735 1.00 1.53 C ATOM 0 H LEU B 33 -6.163 0.122 -12.037 1.00 1.07 H new ATOM 0 HA LEU B 33 -7.223 -0.855 -14.582 1.00 1.15 H new ATOM 0 HB2 LEU B 33 -9.090 0.260 -12.609 1.00 1.10 H new ATOM 0 HB3 LEU B 33 -9.165 -1.243 -13.508 1.00 1.10 H new ATOM 0 HG LEU B 33 -7.762 -0.740 -10.899 1.00 1.27 H new ATOM 0 HD11 LEU B 33 -9.501 -2.481 -10.165 1.00 2.54 H new ATOM 0 HD12 LEU B 33 -10.286 -1.062 -10.898 1.00 2.54 H new ATOM 0 HD13 LEU B 33 -10.084 -2.556 -11.845 1.00 2.54 H new ATOM 0 HD21 LEU B 33 -7.269 -3.133 -10.768 1.00 1.53 H new ATOM 0 HD22 LEU B 33 -7.842 -3.339 -12.440 1.00 1.53 H new ATOM 0 HD23 LEU B 33 -6.407 -2.340 -12.108 1.00 1.53 H new ATOM 2161 N SER B 34 -8.766 1.498 -14.781 1.00 1.28 N ATOM 2162 CA SER B 34 -9.260 2.859 -14.909 1.00 1.22 C ATOM 2163 C SER B 34 -9.625 3.423 -13.529 1.00 1.12 C ATOM 2164 O SER B 34 -9.863 2.674 -12.577 1.00 1.11 O ATOM 2165 CB SER B 34 -10.424 2.914 -15.902 1.00 1.38 C ATOM 2166 OG SER B 34 -10.126 2.100 -17.021 1.00 2.39 O ATOM 0 H SER B 34 -9.384 0.780 -15.160 1.00 1.28 H new ATOM 0 HA SER B 34 -8.473 3.496 -15.314 1.00 1.22 H new ATOM 0 HB2 SER B 34 -11.341 2.572 -15.423 1.00 1.38 H new ATOM 0 HB3 SER B 34 -10.596 3.942 -16.221 1.00 1.38 H new ATOM 0 HG SER B 34 -10.871 2.133 -17.657 1.00 2.39 H new ATOM 2172 N VAL B 35 -9.640 4.750 -13.400 1.00 1.10 N ATOM 2173 CA VAL B 35 -9.668 5.396 -12.093 1.00 1.06 C ATOM 2174 C VAL B 35 -10.973 5.099 -11.342 1.00 1.12 C ATOM 2175 O VAL B 35 -10.954 4.570 -10.229 1.00 1.17 O ATOM 2176 CB VAL B 35 -9.439 6.901 -12.264 1.00 1.09 C ATOM 2177 CG1 VAL B 35 -9.369 7.618 -10.923 1.00 1.10 C ATOM 2178 CG2 VAL B 35 -8.164 7.253 -13.043 1.00 1.08 C ATOM 0 H VAL B 35 -9.633 5.397 -14.188 1.00 1.10 H new ATOM 0 HA VAL B 35 -8.864 4.988 -11.481 1.00 1.06 H new ATOM 0 HB VAL B 35 -10.302 7.236 -12.840 1.00 1.09 H new ATOM 0 HG11 VAL B 35 -9.206 8.683 -11.088 1.00 1.10 H new ATOM 0 HG12 VAL B 35 -10.305 7.474 -10.384 1.00 1.10 H new ATOM 0 HG13 VAL B 35 -8.546 7.211 -10.336 1.00 1.10 H new ATOM 0 HG21 VAL B 35 -8.073 8.336 -13.121 1.00 1.08 H new ATOM 0 HG22 VAL B 35 -7.296 6.853 -12.520 1.00 1.08 H new ATOM 0 HG23 VAL B 35 -8.217 6.820 -14.042 1.00 1.08 H new ATOM 2188 N ASN B 36 -12.119 5.464 -11.927 1.00 1.14 N ATOM 2189 CA ASN B 36 -13.403 5.227 -11.276 1.00 1.26 C ATOM 2190 C ASN B 36 -13.607 3.729 -11.041 1.00 1.35 C ATOM 2191 O ASN B 36 -13.927 3.339 -9.924 1.00 1.42 O ATOM 2192 CB ASN B 36 -14.597 5.824 -12.039 1.00 1.32 C ATOM 2193 CG ASN B 36 -15.473 6.649 -11.092 1.00 2.06 C ATOM 2194 OD1 ASN B 36 -15.805 6.223 -9.989 1.00 2.97 O ATOM 2195 ND2 ASN B 36 -15.794 7.884 -11.471 1.00 2.40 N ATOM 0 H ASN B 36 -12.180 5.919 -12.838 1.00 1.14 H new ATOM 0 HA ASN B 36 -13.367 5.747 -10.319 1.00 1.26 H new ATOM 0 HB2 ASN B 36 -14.239 6.452 -12.854 1.00 1.32 H new ATOM 0 HB3 ASN B 36 -15.187 5.025 -12.488 1.00 1.32 H new ATOM 0 HD21 ASN B 36 -16.322 8.489 -10.842 1.00 2.40 H new ATOM 0 HD22 ASN B 36 -15.512 8.225 -12.390 1.00 2.40 H new ATOM 2202 N GLU B 37 -13.349 2.902 -12.067 1.00 1.36 N ATOM 2203 CA GLU B 37 -13.399 1.442 -11.994 1.00 1.45 C ATOM 2204 C GLU B 37 -12.739 0.940 -10.711 1.00 1.36 C ATOM 2205 O GLU B 37 -13.387 0.300 -9.886 1.00 1.42 O ATOM 2206 CB GLU B 37 -12.704 0.826 -13.219 1.00 1.54 C ATOM 2207 CG GLU B 37 -13.553 0.930 -14.495 1.00 1.92 C ATOM 2208 CD GLU B 37 -14.692 -0.087 -14.544 1.00 2.43 C ATOM 2209 OE1 GLU B 37 -14.758 -0.930 -13.622 1.00 3.30 O ATOM 2210 OE2 GLU B 37 -15.456 -0.019 -15.528 1.00 3.63 O ATOM 0 H GLU B 37 -13.093 3.245 -12.993 1.00 1.36 H new ATOM 0 HA GLU B 37 -14.445 1.136 -11.986 1.00 1.45 H new ATOM 0 HB2 GLU B 37 -11.749 1.327 -13.380 1.00 1.54 H new ATOM 0 HB3 GLU B 37 -12.484 -0.222 -13.018 1.00 1.54 H new ATOM 0 HG2 GLU B 37 -13.969 1.935 -14.566 1.00 1.92 H new ATOM 0 HG3 GLU B 37 -12.910 0.788 -15.364 1.00 1.92 H new ATOM 2217 N PHE B 38 -11.455 1.269 -10.521 1.00 1.26 N ATOM 2218 CA PHE B 38 -10.745 1.019 -9.269 1.00 1.10 C ATOM 2219 C PHE B 38 -11.626 1.371 -8.059 1.00 1.08 C ATOM 2220 O PHE B 38 -11.910 0.507 -7.230 1.00 1.09 O ATOM 2221 CB PHE B 38 -9.418 1.791 -9.280 1.00 0.94 C ATOM 2222 CG PHE B 38 -8.888 2.181 -7.916 1.00 0.78 C ATOM 2223 CD1 PHE B 38 -8.221 1.232 -7.125 1.00 2.21 C ATOM 2224 CD2 PHE B 38 -9.177 3.454 -7.388 1.00 2.04 C ATOM 2225 CE1 PHE B 38 -7.816 1.568 -5.823 1.00 2.12 C ATOM 2226 CE2 PHE B 38 -8.869 3.747 -6.050 1.00 2.39 C ATOM 2227 CZ PHE B 38 -8.170 2.811 -5.272 1.00 1.34 C ATOM 0 H PHE B 38 -10.881 1.717 -11.236 1.00 1.26 H new ATOM 0 HA PHE B 38 -10.516 -0.043 -9.178 1.00 1.10 H new ATOM 0 HB2 PHE B 38 -8.667 1.183 -9.784 1.00 0.94 H new ATOM 0 HB3 PHE B 38 -9.547 2.696 -9.874 1.00 0.94 H new ATOM 0 HD1 PHE B 38 -8.020 0.246 -7.517 1.00 2.21 H new ATOM 0 HD2 PHE B 38 -9.636 4.206 -8.013 1.00 2.04 H new ATOM 0 HE1 PHE B 38 -7.231 0.869 -5.244 1.00 2.12 H new ATOM 0 HE2 PHE B 38 -9.169 4.691 -5.620 1.00 2.39 H new ATOM 0 HZ PHE B 38 -7.905 3.046 -4.252 1.00 1.34 H new ATOM 2237 N LYS B 39 -12.089 2.623 -7.969 1.00 1.11 N ATOM 2238 CA LYS B 39 -12.901 3.105 -6.855 1.00 1.12 C ATOM 2239 C LYS B 39 -14.237 2.349 -6.727 1.00 1.21 C ATOM 2240 O LYS B 39 -14.793 2.242 -5.629 1.00 1.32 O ATOM 2241 CB LYS B 39 -13.028 4.643 -6.925 1.00 1.21 C ATOM 2242 CG LYS B 39 -14.145 5.221 -6.039 1.00 1.21 C ATOM 2243 CD LYS B 39 -15.405 5.481 -6.883 1.00 1.83 C ATOM 2244 CE LYS B 39 -16.700 5.237 -6.103 1.00 2.44 C ATOM 2245 NZ LYS B 39 -16.998 3.795 -6.000 1.00 3.73 N ATOM 0 H LYS B 39 -11.906 3.334 -8.677 1.00 1.11 H new ATOM 0 HA LYS B 39 -12.392 2.879 -5.918 1.00 1.12 H new ATOM 0 HB2 LYS B 39 -12.078 5.089 -6.631 1.00 1.21 H new ATOM 0 HB3 LYS B 39 -13.211 4.935 -7.959 1.00 1.21 H new ATOM 0 HG2 LYS B 39 -14.375 4.527 -5.231 1.00 1.21 H new ATOM 0 HG3 LYS B 39 -13.810 6.149 -5.576 1.00 1.21 H new ATOM 0 HD2 LYS B 39 -15.391 6.510 -7.242 1.00 1.83 H new ATOM 0 HD3 LYS B 39 -15.388 4.836 -7.762 1.00 1.83 H new ATOM 0 HE2 LYS B 39 -16.612 5.665 -5.104 1.00 2.44 H new ATOM 0 HE3 LYS B 39 -17.527 5.747 -6.597 1.00 2.44 H new ATOM 0 HZ1 LYS B 39 -17.881 3.660 -5.467 1.00 3.73 H new ATOM 0 HZ2 LYS B 39 -17.105 3.394 -6.953 1.00 3.73 H new ATOM 0 HZ3 LYS B 39 -16.219 3.314 -5.507 1.00 3.73 H new ATOM 2259 N GLU B 40 -14.809 1.860 -7.824 1.00 1.37 N ATOM 2260 CA GLU B 40 -16.038 1.076 -7.832 1.00 1.55 C ATOM 2261 C GLU B 40 -15.779 -0.382 -7.449 1.00 1.49 C ATOM 2262 O GLU B 40 -16.662 -1.026 -6.885 1.00 1.93 O ATOM 2263 CB GLU B 40 -16.737 1.241 -9.184 1.00 1.77 C ATOM 2264 CG GLU B 40 -17.255 2.681 -9.326 1.00 1.83 C ATOM 2265 CD GLU B 40 -17.792 2.948 -10.723 1.00 2.60 C ATOM 2266 OE1 GLU B 40 -18.976 2.610 -10.933 1.00 3.06 O ATOM 2267 OE2 GLU B 40 -17.017 3.502 -11.531 1.00 3.57 O ATOM 0 H GLU B 40 -14.419 2.003 -8.756 1.00 1.37 H new ATOM 0 HA GLU B 40 -16.717 1.452 -7.066 1.00 1.55 H new ATOM 0 HB2 GLU B 40 -16.044 1.012 -9.993 1.00 1.77 H new ATOM 0 HB3 GLU B 40 -17.565 0.537 -9.265 1.00 1.77 H new ATOM 0 HG2 GLU B 40 -18.042 2.859 -8.593 1.00 1.83 H new ATOM 0 HG3 GLU B 40 -16.449 3.381 -9.105 1.00 1.83 H new ATOM 2274 N LEU B 41 -14.574 -0.894 -7.694 1.00 1.09 N ATOM 2275 CA LEU B 41 -14.177 -2.230 -7.280 1.00 1.02 C ATOM 2276 C LEU B 41 -13.771 -2.253 -5.803 1.00 0.94 C ATOM 2277 O LEU B 41 -14.369 -2.991 -5.022 1.00 0.98 O ATOM 2278 CB LEU B 41 -13.089 -2.761 -8.224 1.00 1.16 C ATOM 2279 CG LEU B 41 -13.718 -3.241 -9.545 1.00 1.39 C ATOM 2280 CD1 LEU B 41 -12.695 -3.184 -10.680 1.00 2.37 C ATOM 2281 CD2 LEU B 41 -14.240 -4.678 -9.414 1.00 2.72 C ATOM 0 H LEU B 41 -13.842 -0.385 -8.190 1.00 1.09 H new ATOM 0 HA LEU B 41 -15.027 -2.907 -7.358 1.00 1.02 H new ATOM 0 HB2 LEU B 41 -12.358 -1.978 -8.425 1.00 1.16 H new ATOM 0 HB3 LEU B 41 -12.554 -3.583 -7.748 1.00 1.16 H new ATOM 0 HG LEU B 41 -14.552 -2.577 -9.772 1.00 1.39 H new ATOM 0 HD11 LEU B 41 -13.158 -3.527 -11.605 1.00 2.37 H new ATOM 0 HD12 LEU B 41 -12.348 -2.158 -10.806 1.00 2.37 H new ATOM 0 HD13 LEU B 41 -11.848 -3.826 -10.439 1.00 2.37 H new ATOM 0 HD21 LEU B 41 -14.679 -4.993 -10.360 1.00 2.72 H new ATOM 0 HD22 LEU B 41 -13.415 -5.343 -9.158 1.00 2.72 H new ATOM 0 HD23 LEU B 41 -14.997 -4.720 -8.631 1.00 2.72 H new ATOM 2293 N VAL B 42 -12.784 -1.454 -5.380 1.00 0.95 N ATOM 2294 CA VAL B 42 -12.210 -1.604 -4.039 1.00 0.99 C ATOM 2295 C VAL B 42 -13.258 -1.463 -2.930 1.00 0.92 C ATOM 2296 O VAL B 42 -13.214 -2.190 -1.940 1.00 0.86 O ATOM 2297 CB VAL B 42 -10.982 -0.706 -3.808 1.00 1.09 C ATOM 2298 CG1 VAL B 42 -9.866 -1.070 -4.793 1.00 2.22 C ATOM 2299 CG2 VAL B 42 -11.313 0.788 -3.879 1.00 1.66 C ATOM 0 H VAL B 42 -12.371 -0.707 -5.939 1.00 0.95 H new ATOM 0 HA VAL B 42 -11.844 -2.629 -3.985 1.00 0.99 H new ATOM 0 HB VAL B 42 -10.636 -0.893 -2.791 1.00 1.09 H new ATOM 0 HG11 VAL B 42 -9.003 -0.427 -4.619 1.00 2.22 H new ATOM 0 HG12 VAL B 42 -9.578 -2.111 -4.648 1.00 2.22 H new ATOM 0 HG13 VAL B 42 -10.222 -0.931 -5.814 1.00 2.22 H new ATOM 0 HG21 VAL B 42 -10.407 1.370 -3.708 1.00 1.66 H new ATOM 0 HG22 VAL B 42 -11.716 1.025 -4.864 1.00 1.66 H new ATOM 0 HG23 VAL B 42 -12.051 1.034 -3.116 1.00 1.66 H new ATOM 2309 N THR B 43 -14.242 -0.578 -3.102 1.00 1.01 N ATOM 2310 CA THR B 43 -15.349 -0.466 -2.156 1.00 1.09 C ATOM 2311 C THR B 43 -16.017 -1.833 -1.912 1.00 1.08 C ATOM 2312 O THR B 43 -16.371 -2.157 -0.780 1.00 1.13 O ATOM 2313 CB THR B 43 -16.321 0.637 -2.613 1.00 1.36 C ATOM 2314 OG1 THR B 43 -17.333 0.861 -1.658 1.00 1.93 O ATOM 2315 CG2 THR B 43 -16.994 0.334 -3.952 1.00 1.93 C ATOM 0 H THR B 43 -14.293 0.070 -3.888 1.00 1.01 H new ATOM 0 HA THR B 43 -14.969 -0.159 -1.182 1.00 1.09 H new ATOM 0 HB THR B 43 -15.701 1.526 -2.729 1.00 1.36 H new ATOM 0 HG1 THR B 43 -17.933 1.568 -1.977 1.00 1.93 H new ATOM 0 HG21 THR B 43 -17.666 1.151 -4.215 1.00 1.93 H new ATOM 0 HG22 THR B 43 -16.233 0.226 -4.725 1.00 1.93 H new ATOM 0 HG23 THR B 43 -17.563 -0.592 -3.872 1.00 1.93 H new ATOM 2323 N GLN B 44 -16.134 -2.665 -2.955 1.00 1.13 N ATOM 2324 CA GLN B 44 -16.674 -4.014 -2.842 1.00 1.19 C ATOM 2325 C GLN B 44 -15.689 -4.928 -2.107 1.00 1.09 C ATOM 2326 O GLN B 44 -16.112 -5.783 -1.336 1.00 1.17 O ATOM 2327 CB GLN B 44 -17.010 -4.586 -4.227 1.00 1.33 C ATOM 2328 CG GLN B 44 -17.952 -3.681 -5.030 1.00 1.61 C ATOM 2329 CD GLN B 44 -18.199 -4.236 -6.430 1.00 2.37 C ATOM 2330 OE1 GLN B 44 -18.576 -5.392 -6.589 1.00 3.36 O ATOM 2331 NE2 GLN B 44 -17.986 -3.425 -7.462 1.00 2.93 N ATOM 0 H GLN B 44 -15.854 -2.414 -3.903 1.00 1.13 H new ATOM 0 HA GLN B 44 -17.596 -3.963 -2.263 1.00 1.19 H new ATOM 0 HB2 GLN B 44 -16.087 -4.732 -4.789 1.00 1.33 H new ATOM 0 HB3 GLN B 44 -17.470 -5.567 -4.108 1.00 1.33 H new ATOM 0 HG2 GLN B 44 -18.901 -3.583 -4.503 1.00 1.61 H new ATOM 0 HG3 GLN B 44 -17.524 -2.681 -5.104 1.00 1.61 H new ATOM 0 HE21 GLN B 44 -17.673 -2.468 -7.302 1.00 2.93 H new ATOM 0 HE22 GLN B 44 -18.136 -3.760 -8.414 1.00 2.93 H new ATOM 2340 N GLN B 45 -14.382 -4.768 -2.353 1.00 0.95 N ATOM 2341 CA GLN B 45 -13.349 -5.555 -1.682 1.00 0.90 C ATOM 2342 C GLN B 45 -13.281 -5.243 -0.181 1.00 0.81 C ATOM 2343 O GLN B 45 -12.941 -6.132 0.595 1.00 0.85 O ATOM 2344 CB GLN B 45 -11.964 -5.342 -2.313 1.00 0.93 C ATOM 2345 CG GLN B 45 -11.716 -6.111 -3.619 1.00 0.76 C ATOM 2346 CD GLN B 45 -12.518 -5.602 -4.808 1.00 0.98 C ATOM 2347 OE1 GLN B 45 -12.032 -4.773 -5.571 1.00 1.88 O ATOM 2348 NE2 GLN B 45 -13.734 -6.104 -4.997 1.00 1.42 N ATOM 0 H GLN B 45 -14.016 -4.090 -3.022 1.00 0.95 H new ATOM 0 HA GLN B 45 -13.632 -6.600 -1.811 1.00 0.90 H new ATOM 0 HB2 GLN B 45 -11.830 -4.278 -2.506 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.203 -5.633 -1.588 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -10.655 -6.058 -3.862 1.00 0.76 H new ATOM 0 HG3 GLN B 45 -11.954 -7.162 -3.459 1.00 0.76 H new ATOM 0 HE21 GLN B 45 -14.109 -6.792 -4.344 1.00 1.42 H new ATOM 0 HE22 GLN B 45 -14.292 -5.801 -5.795 1.00 1.42 H new ATOM 2357 N LEU B 46 -13.573 -4.002 0.231 1.00 0.75 N ATOM 2358 CA LEU B 46 -13.511 -3.576 1.632 1.00 0.71 C ATOM 2359 C LEU B 46 -14.905 -3.342 2.251 1.00 0.74 C ATOM 2360 O LEU B 46 -15.204 -2.220 2.669 1.00 0.81 O ATOM 2361 CB LEU B 46 -12.658 -2.297 1.733 1.00 0.75 C ATOM 2362 CG LEU B 46 -11.165 -2.509 1.418 1.00 0.87 C ATOM 2363 CD1 LEU B 46 -10.772 -2.043 0.013 1.00 1.08 C ATOM 2364 CD2 LEU B 46 -10.316 -1.765 2.456 1.00 1.45 C ATOM 0 H LEU B 46 -13.861 -3.260 -0.407 1.00 0.75 H new ATOM 0 HA LEU B 46 -13.053 -4.383 2.203 1.00 0.71 H new ATOM 0 HB2 LEU B 46 -13.060 -1.550 1.048 1.00 0.75 H new ATOM 0 HB3 LEU B 46 -12.751 -1.890 2.740 1.00 0.75 H new ATOM 0 HG LEU B 46 -10.981 -3.583 1.460 1.00 0.87 H new ATOM 0 HD11 LEU B 46 -9.708 -2.220 -0.145 1.00 1.08 H new ATOM 0 HD12 LEU B 46 -11.346 -2.598 -0.728 1.00 1.08 H new ATOM 0 HD13 LEU B 46 -10.981 -0.978 -0.089 1.00 1.08 H new ATOM 0 HD21 LEU B 46 -9.259 -1.913 2.235 1.00 1.45 H new ATOM 0 HD22 LEU B 46 -10.548 -0.701 2.420 1.00 1.45 H new ATOM 0 HD23 LEU B 46 -10.537 -2.151 3.451 1.00 1.45 H new ATOM 2376 N PRO B 47 -15.767 -4.362 2.413 1.00 0.79 N ATOM 2377 CA PRO B 47 -17.129 -4.171 2.899 1.00 0.88 C ATOM 2378 C PRO B 47 -17.170 -4.101 4.435 1.00 0.85 C ATOM 2379 O PRO B 47 -18.001 -4.756 5.071 1.00 1.07 O ATOM 2380 CB PRO B 47 -17.879 -5.392 2.358 1.00 1.08 C ATOM 2381 CG PRO B 47 -16.828 -6.490 2.514 1.00 1.03 C ATOM 2382 CD PRO B 47 -15.551 -5.765 2.093 1.00 0.83 C ATOM 0 HA PRO B 47 -17.573 -3.232 2.567 1.00 0.88 H new ATOM 0 HB2 PRO B 47 -18.782 -5.605 2.930 1.00 1.08 H new ATOM 0 HB3 PRO B 47 -18.183 -5.260 1.320 1.00 1.08 H new ATOM 0 HG2 PRO B 47 -16.770 -6.858 3.539 1.00 1.03 H new ATOM 0 HG3 PRO B 47 -17.038 -7.350 1.878 1.00 1.03 H new ATOM 0 HD2 PRO B 47 -14.685 -6.158 2.625 1.00 0.83 H new ATOM 0 HD3 PRO B 47 -15.359 -5.898 1.028 1.00 0.83 H new ATOM 2390 N HIS B 48 -16.281 -3.319 5.054 1.00 1.13 N ATOM 2391 CA HIS B 48 -16.217 -3.233 6.507 1.00 1.10 C ATOM 2392 C HIS B 48 -17.348 -2.334 7.012 1.00 1.24 C ATOM 2393 O HIS B 48 -18.237 -2.786 7.733 1.00 2.09 O ATOM 2394 CB HIS B 48 -14.858 -2.692 6.970 1.00 1.42 C ATOM 2395 CG HIS B 48 -13.644 -3.388 6.416 1.00 1.85 C ATOM 2396 ND1 HIS B 48 -13.291 -4.709 6.594 1.00 3.16 N ATOM 2397 CD2 HIS B 48 -12.560 -2.743 5.884 1.00 3.20 C ATOM 2398 CE1 HIS B 48 -12.023 -4.846 6.175 1.00 4.46 C ATOM 2399 NE2 HIS B 48 -11.523 -3.665 5.763 1.00 4.42 N ATOM 0 H HIS B 48 -15.598 -2.738 4.568 1.00 1.13 H new ATOM 0 HA HIS B 48 -16.334 -4.234 6.922 1.00 1.10 H new ATOM 0 HB2 HIS B 48 -14.800 -1.637 6.703 1.00 1.42 H new ATOM 0 HB3 HIS B 48 -14.819 -2.748 8.058 1.00 1.42 H new ATOM 0 HD1 HIS B 48 -13.884 -5.447 6.974 1.00 3.16 H new ATOM 0 HD2 HIS B 48 -12.516 -1.700 5.606 1.00 3.20 H new ATOM 0 HE1 HIS B 48 -11.477 -5.778 6.169 1.00 4.46 H new ATOM 2407 N LEU B 49 -17.274 -1.052 6.632 1.00 1.25 N ATOM 2408 CA LEU B 49 -18.212 0.009 6.983 1.00 1.30 C ATOM 2409 C LEU B 49 -18.306 1.012 5.840 1.00 1.26 C ATOM 2410 O LEU B 49 -19.409 1.354 5.427 1.00 1.39 O ATOM 2411 CB LEU B 49 -17.783 0.774 8.249 1.00 1.39 C ATOM 2412 CG LEU B 49 -18.003 -0.012 9.546 1.00 1.65 C ATOM 2413 CD1 LEU B 49 -16.719 -0.688 10.042 1.00 3.24 C ATOM 2414 CD2 LEU B 49 -18.527 0.912 10.652 1.00 2.49 C ATOM 0 H LEU B 49 -16.515 -0.714 6.040 1.00 1.25 H new ATOM 0 HA LEU B 49 -19.173 -0.469 7.172 1.00 1.30 H new ATOM 0 HB2 LEU B 49 -16.728 1.034 8.166 1.00 1.39 H new ATOM 0 HB3 LEU B 49 -18.338 1.710 8.303 1.00 1.39 H new ATOM 0 HG LEU B 49 -18.736 -0.786 9.319 1.00 1.65 H new ATOM 0 HD11 LEU B 49 -16.927 -1.232 10.963 1.00 3.24 H new ATOM 0 HD12 LEU B 49 -16.357 -1.383 9.284 1.00 3.24 H new ATOM 0 HD13 LEU B 49 -15.959 0.070 10.232 1.00 3.24 H new ATOM 0 HD21 LEU B 49 -18.677 0.337 11.566 1.00 2.49 H new ATOM 0 HD22 LEU B 49 -17.802 1.705 10.837 1.00 2.49 H new ATOM 0 HD23 LEU B 49 -19.474 1.352 10.340 1.00 2.49 H new ATOM 2426 N LEU B 50 -17.149 1.509 5.378 1.00 1.23 N ATOM 2427 CA LEU B 50 -17.055 2.627 4.448 1.00 1.35 C ATOM 2428 C LEU B 50 -17.653 3.854 5.135 1.00 1.30 C ATOM 2429 O LEU B 50 -18.670 4.415 4.736 1.00 1.49 O ATOM 2430 CB LEU B 50 -17.661 2.270 3.085 1.00 1.68 C ATOM 2431 CG LEU B 50 -16.958 1.033 2.494 1.00 1.66 C ATOM 2432 CD1 LEU B 50 -17.936 0.265 1.612 1.00 2.75 C ATOM 2433 CD2 LEU B 50 -15.693 1.427 1.726 1.00 2.75 C ATOM 0 H LEU B 50 -16.240 1.133 5.649 1.00 1.23 H new ATOM 0 HA LEU B 50 -16.020 2.867 4.206 1.00 1.35 H new ATOM 0 HB2 LEU B 50 -18.727 2.073 3.194 1.00 1.68 H new ATOM 0 HB3 LEU B 50 -17.561 3.114 2.403 1.00 1.68 H new ATOM 0 HG LEU B 50 -16.640 0.382 3.309 1.00 1.66 H new ATOM 0 HD11 LEU B 50 -17.439 -0.610 1.194 1.00 2.75 H new ATOM 0 HD12 LEU B 50 -18.791 -0.054 2.208 1.00 2.75 H new ATOM 0 HD13 LEU B 50 -18.279 0.909 0.802 1.00 2.75 H new ATOM 0 HD21 LEU B 50 -15.220 0.532 1.321 1.00 2.75 H new ATOM 0 HD22 LEU B 50 -15.958 2.099 0.909 1.00 2.75 H new ATOM 0 HD23 LEU B 50 -15.000 1.931 2.400 1.00 2.75 H new ATOM 2445 N LYS B 51 -17.009 4.205 6.252 1.00 1.13 N ATOM 2446 CA LYS B 51 -17.401 5.303 7.123 1.00 1.19 C ATOM 2447 C LYS B 51 -17.124 6.654 6.459 1.00 1.26 C ATOM 2448 O LYS B 51 -17.793 7.636 6.765 1.00 1.49 O ATOM 2449 CB LYS B 51 -16.661 5.152 8.461 1.00 1.16 C ATOM 2450 CG LYS B 51 -15.144 5.364 8.320 1.00 1.18 C ATOM 2451 CD LYS B 51 -14.756 6.835 8.560 1.00 1.49 C ATOM 2452 CE LYS B 51 -14.468 7.112 10.040 1.00 1.68 C ATOM 2453 NZ LYS B 51 -14.262 8.554 10.290 1.00 3.01 N ATOM 0 H LYS B 51 -16.177 3.715 6.580 1.00 1.13 H new ATOM 0 HA LYS B 51 -18.474 5.269 7.309 1.00 1.19 H new ATOM 0 HB2 LYS B 51 -17.060 5.870 9.177 1.00 1.16 H new ATOM 0 HB3 LYS B 51 -16.850 4.158 8.867 1.00 1.16 H new ATOM 0 HG2 LYS B 51 -14.619 4.727 9.032 1.00 1.18 H new ATOM 0 HG3 LYS B 51 -14.824 5.060 7.323 1.00 1.18 H new ATOM 0 HD2 LYS B 51 -13.876 7.081 7.966 1.00 1.49 H new ATOM 0 HD3 LYS B 51 -15.562 7.484 8.219 1.00 1.49 H new ATOM 0 HE2 LYS B 51 -15.298 6.751 10.647 1.00 1.68 H new ATOM 0 HE3 LYS B 51 -13.582 6.558 10.350 1.00 1.68 H new ATOM 0 HZ1 LYS B 51 -14.069 8.707 11.300 1.00 3.01 H new ATOM 0 HZ2 LYS B 51 -13.454 8.892 9.729 1.00 3.01 H new ATOM 0 HZ3 LYS B 51 -15.117 9.079 10.017 1.00 3.01 H new ATOM 2467 N ASP B 52 -16.087 6.693 5.615 1.00 1.18 N ATOM 2468 CA ASP B 52 -15.852 7.701 4.600 1.00 1.33 C ATOM 2469 C ASP B 52 -15.775 9.124 5.154 1.00 1.25 C ATOM 2470 O ASP B 52 -16.732 9.893 5.140 1.00 1.75 O ATOM 2471 CB ASP B 52 -16.858 7.505 3.468 1.00 2.12 C ATOM 2472 CG ASP B 52 -16.551 6.244 2.656 1.00 2.39 C ATOM 2473 OD1 ASP B 52 -15.943 5.314 3.241 1.00 2.69 O ATOM 2474 OD2 ASP B 52 -16.913 6.235 1.462 1.00 3.44 O ATOM 0 H ASP B 52 -15.357 5.981 5.630 1.00 1.18 H new ATOM 0 HA ASP B 52 -14.854 7.562 4.184 1.00 1.33 H new ATOM 0 HB2 ASP B 52 -17.864 7.436 3.882 1.00 2.12 H new ATOM 0 HB3 ASP B 52 -16.842 8.375 2.811 1.00 2.12 H new ATOM 2479 N VAL B 53 -14.574 9.468 5.622 1.00 1.02 N ATOM 2480 CA VAL B 53 -14.222 10.776 6.155 1.00 1.24 C ATOM 2481 C VAL B 53 -13.847 11.714 5.009 1.00 1.58 C ATOM 2482 O VAL B 53 -13.860 11.299 3.858 1.00 3.04 O ATOM 2483 CB VAL B 53 -13.105 10.586 7.199 1.00 2.77 C ATOM 2484 CG1 VAL B 53 -11.679 10.590 6.635 1.00 4.67 C ATOM 2485 CG2 VAL B 53 -13.209 11.566 8.374 1.00 3.12 C ATOM 0 H VAL B 53 -13.792 8.813 5.639 1.00 1.02 H new ATOM 0 HA VAL B 53 -15.064 11.247 6.662 1.00 1.24 H new ATOM 0 HB VAL B 53 -13.286 9.576 7.568 1.00 2.77 H new ATOM 0 HG11 VAL B 53 -10.966 10.450 7.447 1.00 4.67 H new ATOM 0 HG12 VAL B 53 -11.571 9.780 5.913 1.00 4.67 H new ATOM 0 HG13 VAL B 53 -11.485 11.543 6.143 1.00 4.67 H new ATOM 0 HG21 VAL B 53 -12.395 11.382 9.075 1.00 3.12 H new ATOM 0 HG22 VAL B 53 -13.143 12.588 8.002 1.00 3.12 H new ATOM 0 HG23 VAL B 53 -14.163 11.425 8.882 1.00 3.12 H new ATOM 2495 N GLY B 54 -13.502 12.972 5.295 1.00 1.41 N ATOM 2496 CA GLY B 54 -13.025 13.934 4.302 1.00 2.36 C ATOM 2497 C GLY B 54 -12.007 13.383 3.289 1.00 1.88 C ATOM 2498 O GLY B 54 -11.886 13.922 2.193 1.00 2.13 O ATOM 0 H GLY B 54 -13.548 13.356 6.239 1.00 1.41 H new ATOM 0 HA2 GLY B 54 -13.884 14.322 3.755 1.00 2.36 H new ATOM 0 HA3 GLY B 54 -12.573 14.777 4.825 1.00 2.36 H new ATOM 2502 N SER B 55 -11.275 12.314 3.614 1.00 1.48 N ATOM 2503 CA SER B 55 -10.348 11.706 2.673 1.00 1.20 C ATOM 2504 C SER B 55 -11.049 10.889 1.582 1.00 1.13 C ATOM 2505 O SER B 55 -10.549 10.786 0.461 1.00 1.31 O ATOM 2506 CB SER B 55 -9.234 10.971 3.406 1.00 1.22 C ATOM 2507 OG SER B 55 -8.522 11.941 4.154 1.00 1.78 O ATOM 0 H SER B 55 -11.311 11.856 4.525 1.00 1.48 H new ATOM 0 HA SER B 55 -9.862 12.506 2.115 1.00 1.20 H new ATOM 0 HB2 SER B 55 -9.645 10.203 4.062 1.00 1.22 H new ATOM 0 HB3 SER B 55 -8.574 10.467 2.700 1.00 1.22 H new ATOM 0 HG SER B 55 -8.448 12.767 3.632 1.00 1.78 H new ATOM 2513 N LEU B 56 -12.261 10.400 1.856 1.00 1.08 N ATOM 2514 CA LEU B 56 -13.166 9.984 0.800 1.00 1.16 C ATOM 2515 C LEU B 56 -13.263 11.129 -0.188 1.00 1.25 C ATOM 2516 O LEU B 56 -13.015 10.917 -1.366 1.00 1.26 O ATOM 2517 CB LEU B 56 -14.551 9.624 1.348 1.00 1.32 C ATOM 2518 CG LEU B 56 -15.589 9.215 0.286 1.00 2.06 C ATOM 2519 CD1 LEU B 56 -16.192 10.362 -0.536 1.00 2.33 C ATOM 2520 CD2 LEU B 56 -15.092 8.081 -0.617 1.00 3.00 C ATOM 0 H LEU B 56 -12.631 10.286 2.800 1.00 1.08 H new ATOM 0 HA LEU B 56 -12.782 9.085 0.318 1.00 1.16 H new ATOM 0 HB2 LEU B 56 -14.441 8.806 2.060 1.00 1.32 H new ATOM 0 HB3 LEU B 56 -14.939 10.479 1.902 1.00 1.32 H new ATOM 0 HG LEU B 56 -16.420 8.840 0.884 1.00 2.06 H new ATOM 0 HD11 LEU B 56 -16.909 9.959 -1.252 1.00 2.33 H new ATOM 0 HD12 LEU B 56 -16.698 11.060 0.131 1.00 2.33 H new ATOM 0 HD13 LEU B 56 -15.398 10.882 -1.072 1.00 2.33 H new ATOM 0 HD21 LEU B 56 -15.863 7.833 -1.347 1.00 3.00 H new ATOM 0 HD22 LEU B 56 -14.189 8.400 -1.137 1.00 3.00 H new ATOM 0 HD23 LEU B 56 -14.871 7.203 -0.010 1.00 3.00 H new ATOM 2532 N ASP B 57 -13.596 12.335 0.288 1.00 1.41 N ATOM 2533 CA ASP B 57 -13.732 13.480 -0.615 1.00 1.62 C ATOM 2534 C ASP B 57 -12.414 13.764 -1.358 1.00 1.35 C ATOM 2535 O ASP B 57 -12.393 13.771 -2.589 1.00 1.44 O ATOM 2536 CB ASP B 57 -14.274 14.722 0.102 1.00 2.05 C ATOM 2537 CG ASP B 57 -14.104 15.953 -0.773 1.00 2.72 C ATOM 2538 OD1 ASP B 57 -14.531 15.933 -1.948 1.00 4.05 O ATOM 2539 OD2 ASP B 57 -13.457 16.924 -0.322 1.00 3.05 O ATOM 0 H ASP B 57 -13.773 12.540 1.272 1.00 1.41 H new ATOM 0 HA ASP B 57 -14.476 13.214 -1.366 1.00 1.62 H new ATOM 0 HB2 ASP B 57 -15.328 14.581 0.342 1.00 2.05 H new ATOM 0 HB3 ASP B 57 -13.748 14.863 1.046 1.00 2.05 H new ATOM 2544 N GLU B 58 -11.318 13.943 -0.606 1.00 1.19 N ATOM 2545 CA GLU B 58 -9.932 14.106 -1.074 1.00 1.06 C ATOM 2546 C GLU B 58 -9.671 13.198 -2.283 1.00 0.85 C ATOM 2547 O GLU B 58 -9.144 13.637 -3.305 1.00 0.97 O ATOM 2548 CB GLU B 58 -9.017 13.740 0.110 1.00 1.31 C ATOM 2549 CG GLU B 58 -7.500 13.986 0.088 1.00 1.79 C ATOM 2550 CD GLU B 58 -6.861 13.434 1.375 1.00 3.26 C ATOM 2551 OE1 GLU B 58 -7.489 13.549 2.453 1.00 4.08 O ATOM 2552 OE2 GLU B 58 -5.763 12.832 1.324 1.00 4.34 O ATOM 0 H GLU B 58 -11.379 13.980 0.411 1.00 1.19 H new ATOM 0 HA GLU B 58 -9.739 15.128 -1.399 1.00 1.06 H new ATOM 0 HB2 GLU B 58 -9.406 14.269 0.980 1.00 1.31 H new ATOM 0 HB3 GLU B 58 -9.158 12.675 0.295 1.00 1.31 H new ATOM 0 HG2 GLU B 58 -7.057 13.504 -0.784 1.00 1.79 H new ATOM 0 HG3 GLU B 58 -7.297 15.053 -0.000 1.00 1.79 H new ATOM 2559 N LYS B 59 -10.095 11.938 -2.179 1.00 0.75 N ATOM 2560 CA LYS B 59 -9.933 10.947 -3.225 1.00 0.75 C ATOM 2561 C LYS B 59 -10.967 11.117 -4.347 1.00 0.85 C ATOM 2562 O LYS B 59 -10.612 11.224 -5.520 1.00 0.90 O ATOM 2563 CB LYS B 59 -10.033 9.573 -2.559 1.00 0.82 C ATOM 2564 CG LYS B 59 -9.477 8.473 -3.456 1.00 1.08 C ATOM 2565 CD LYS B 59 -8.990 7.266 -2.652 1.00 1.16 C ATOM 2566 CE LYS B 59 -10.006 6.483 -1.820 1.00 1.14 C ATOM 2567 NZ LYS B 59 -10.534 7.248 -0.667 1.00 1.38 N ATOM 0 H LYS B 59 -10.567 11.579 -1.349 1.00 0.75 H new ATOM 0 HA LYS B 59 -8.964 11.065 -3.710 1.00 0.75 H new ATOM 0 HB2 LYS B 59 -9.487 9.585 -1.616 1.00 0.82 H new ATOM 0 HB3 LYS B 59 -11.075 9.358 -2.322 1.00 0.82 H new ATOM 0 HG2 LYS B 59 -10.248 8.154 -4.157 1.00 1.08 H new ATOM 0 HG3 LYS B 59 -8.652 8.871 -4.048 1.00 1.08 H new ATOM 0 HD2 LYS B 59 -8.526 6.569 -3.350 1.00 1.16 H new ATOM 0 HD3 LYS B 59 -8.206 7.612 -1.978 1.00 1.16 H new ATOM 0 HE2 LYS B 59 -10.836 6.185 -2.460 1.00 1.14 H new ATOM 0 HE3 LYS B 59 -9.539 5.568 -1.456 1.00 1.14 H new ATOM 0 HZ1 LYS B 59 -10.873 6.588 0.062 1.00 1.38 H new ATOM 0 HZ2 LYS B 59 -9.779 7.844 -0.271 1.00 1.38 H new ATOM 0 HZ3 LYS B 59 -11.321 7.851 -0.981 1.00 1.38 H new ATOM 2581 N MET B 60 -12.254 11.112 -3.993 1.00 1.05 N ATOM 2582 CA MET B 60 -13.391 11.197 -4.898 1.00 1.25 C ATOM 2583 C MET B 60 -13.193 12.340 -5.879 1.00 1.19 C ATOM 2584 O MET B 60 -13.296 12.130 -7.082 1.00 1.21 O ATOM 2585 CB MET B 60 -14.694 11.329 -4.096 1.00 1.53 C ATOM 2586 CG MET B 60 -15.929 11.549 -4.984 1.00 1.62 C ATOM 2587 SD MET B 60 -16.240 13.268 -5.476 1.00 2.24 S ATOM 2588 CE MET B 60 -17.577 13.034 -6.667 1.00 2.86 C ATOM 0 H MET B 60 -12.541 11.045 -3.016 1.00 1.05 H new ATOM 0 HA MET B 60 -13.465 10.281 -5.483 1.00 1.25 H new ATOM 0 HB2 MET B 60 -14.839 10.429 -3.499 1.00 1.53 H new ATOM 0 HB3 MET B 60 -14.602 12.162 -3.399 1.00 1.53 H new ATOM 0 HG2 MET B 60 -15.819 10.946 -5.885 1.00 1.62 H new ATOM 0 HG3 MET B 60 -16.806 11.176 -4.455 1.00 1.62 H new ATOM 0 HE1 MET B 60 -17.884 14.002 -7.064 1.00 2.86 H new ATOM 0 HE2 MET B 60 -17.230 12.400 -7.483 1.00 2.86 H new ATOM 0 HE3 MET B 60 -18.425 12.559 -6.174 1.00 2.86 H new ATOM 2598 N LYS B 61 -12.881 13.533 -5.374 1.00 1.19 N ATOM 2599 CA LYS B 61 -12.687 14.693 -6.227 1.00 1.25 C ATOM 2600 C LYS B 61 -11.555 14.426 -7.232 1.00 1.10 C ATOM 2601 O LYS B 61 -11.674 14.751 -8.409 1.00 1.12 O ATOM 2602 CB LYS B 61 -12.501 15.945 -5.355 1.00 1.47 C ATOM 2603 CG LYS B 61 -11.129 15.993 -4.673 1.00 1.60 C ATOM 2604 CD LYS B 61 -11.100 16.719 -3.325 1.00 1.56 C ATOM 2605 CE LYS B 61 -11.826 18.069 -3.289 1.00 2.14 C ATOM 2606 NZ LYS B 61 -13.168 17.973 -2.675 1.00 3.11 N ATOM 0 H LYS B 61 -12.758 13.716 -4.378 1.00 1.19 H new ATOM 0 HA LYS B 61 -13.569 14.885 -6.837 1.00 1.25 H new ATOM 0 HB2 LYS B 61 -12.627 16.835 -5.972 1.00 1.47 H new ATOM 0 HB3 LYS B 61 -13.281 15.972 -4.594 1.00 1.47 H new ATOM 0 HG2 LYS B 61 -10.777 14.972 -4.526 1.00 1.60 H new ATOM 0 HG3 LYS B 61 -10.423 16.480 -5.346 1.00 1.60 H new ATOM 0 HD2 LYS B 61 -11.542 16.068 -2.571 1.00 1.56 H new ATOM 0 HD3 LYS B 61 -10.060 16.877 -3.039 1.00 1.56 H new ATOM 0 HE2 LYS B 61 -11.225 18.787 -2.731 1.00 2.14 H new ATOM 0 HE3 LYS B 61 -11.921 18.454 -4.304 1.00 2.14 H new ATOM 0 HZ1 LYS B 61 -13.753 18.771 -2.994 1.00 3.11 H new ATOM 0 HZ2 LYS B 61 -13.617 17.079 -2.960 1.00 3.11 H new ATOM 0 HZ3 LYS B 61 -13.079 18.001 -1.639 1.00 3.11 H new ATOM 2620 N SER B 62 -10.471 13.779 -6.790 1.00 1.06 N ATOM 2621 CA SER B 62 -9.397 13.361 -7.685 1.00 1.07 C ATOM 2622 C SER B 62 -9.937 12.442 -8.793 1.00 1.05 C ATOM 2623 O SER B 62 -9.655 12.664 -9.970 1.00 1.23 O ATOM 2624 CB SER B 62 -8.252 12.714 -6.889 1.00 1.09 C ATOM 2625 OG SER B 62 -7.063 12.695 -7.655 1.00 1.77 O ATOM 0 H SER B 62 -10.318 13.534 -5.812 1.00 1.06 H new ATOM 0 HA SER B 62 -8.985 14.241 -8.179 1.00 1.07 H new ATOM 0 HB2 SER B 62 -8.087 13.267 -5.964 1.00 1.09 H new ATOM 0 HB3 SER B 62 -8.526 11.697 -6.608 1.00 1.09 H new ATOM 0 HG SER B 62 -6.344 12.282 -7.133 1.00 1.77 H new ATOM 2631 N LEU B 63 -10.739 11.430 -8.438 1.00 1.00 N ATOM 2632 CA LEU B 63 -11.385 10.574 -9.436 1.00 1.07 C ATOM 2633 C LEU B 63 -12.279 11.415 -10.364 1.00 1.17 C ATOM 2634 O LEU B 63 -12.292 11.199 -11.574 1.00 1.33 O ATOM 2635 CB LEU B 63 -12.157 9.405 -8.788 1.00 1.13 C ATOM 2636 CG LEU B 63 -11.330 8.304 -8.086 1.00 1.14 C ATOM 2637 CD1 LEU B 63 -9.852 8.613 -7.797 1.00 1.22 C ATOM 2638 CD2 LEU B 63 -11.979 7.987 -6.739 1.00 1.38 C ATOM 0 H LEU B 63 -10.954 11.186 -7.471 1.00 1.00 H new ATOM 0 HA LEU B 63 -10.604 10.118 -10.044 1.00 1.07 H new ATOM 0 HB2 LEU B 63 -12.849 9.823 -8.057 1.00 1.13 H new ATOM 0 HB3 LEU B 63 -12.760 8.930 -9.562 1.00 1.13 H new ATOM 0 HG LEU B 63 -11.332 7.482 -8.802 1.00 1.14 H new ATOM 0 HD11 LEU B 63 -9.391 7.757 -7.303 1.00 1.22 H new ATOM 0 HD12 LEU B 63 -9.332 8.814 -8.734 1.00 1.22 H new ATOM 0 HD13 LEU B 63 -9.783 9.487 -7.149 1.00 1.22 H new ATOM 0 HD21 LEU B 63 -11.405 7.211 -6.232 1.00 1.38 H new ATOM 0 HD22 LEU B 63 -11.996 8.886 -6.123 1.00 1.38 H new ATOM 0 HD23 LEU B 63 -12.999 7.638 -6.900 1.00 1.38 H new ATOM 2650 N ASP B 64 -13.024 12.377 -9.816 1.00 1.14 N ATOM 2651 CA ASP B 64 -13.959 13.219 -10.555 1.00 1.25 C ATOM 2652 C ASP B 64 -13.270 13.990 -11.690 1.00 1.24 C ATOM 2653 O ASP B 64 -13.802 14.055 -12.797 1.00 1.30 O ATOM 2654 CB ASP B 64 -14.679 14.159 -9.582 1.00 1.33 C ATOM 2655 CG ASP B 64 -15.827 14.888 -10.261 1.00 1.55 C ATOM 2656 OD1 ASP B 64 -16.917 14.280 -10.325 1.00 2.36 O ATOM 2657 OD2 ASP B 64 -15.597 16.042 -10.678 1.00 1.53 O ATOM 0 H ASP B 64 -12.991 12.595 -8.820 1.00 1.14 H new ATOM 0 HA ASP B 64 -14.698 12.577 -11.034 1.00 1.25 H new ATOM 0 HB2 ASP B 64 -15.059 13.587 -8.736 1.00 1.33 H new ATOM 0 HB3 ASP B 64 -13.970 14.885 -9.184 1.00 1.33 H new ATOM 2662 N VAL B 65 -12.071 14.531 -11.434 1.00 1.21 N ATOM 2663 CA VAL B 65 -11.297 15.300 -12.416 1.00 1.27 C ATOM 2664 C VAL B 65 -11.182 14.582 -13.766 1.00 1.31 C ATOM 2665 O VAL B 65 -11.678 15.071 -14.777 1.00 1.46 O ATOM 2666 CB VAL B 65 -9.897 15.630 -11.858 1.00 1.26 C ATOM 2667 CG1 VAL B 65 -8.969 16.264 -12.902 1.00 1.79 C ATOM 2668 CG2 VAL B 65 -10.004 16.616 -10.700 1.00 1.51 C ATOM 0 H VAL B 65 -11.607 14.446 -10.530 1.00 1.21 H new ATOM 0 HA VAL B 65 -11.840 16.228 -12.595 1.00 1.27 H new ATOM 0 HB VAL B 65 -9.477 14.676 -11.539 1.00 1.26 H new ATOM 0 HG11 VAL B 65 -8.000 16.473 -12.449 1.00 1.79 H new ATOM 0 HG12 VAL B 65 -8.838 15.577 -13.738 1.00 1.79 H new ATOM 0 HG13 VAL B 65 -9.409 17.194 -13.263 1.00 1.79 H new ATOM 0 HG21 VAL B 65 -9.008 16.838 -10.318 1.00 1.51 H new ATOM 0 HG22 VAL B 65 -10.473 17.536 -11.048 1.00 1.51 H new ATOM 0 HG23 VAL B 65 -10.608 16.179 -9.905 1.00 1.51 H new ATOM 2678 N ASN B 66 -10.454 13.462 -13.794 1.00 1.21 N ATOM 2679 CA ASN B 66 -10.171 12.717 -15.030 1.00 1.25 C ATOM 2680 C ASN B 66 -10.209 11.213 -14.784 1.00 1.23 C ATOM 2681 O ASN B 66 -9.219 10.509 -14.984 1.00 1.22 O ATOM 2682 CB ASN B 66 -8.828 13.137 -15.663 1.00 1.27 C ATOM 2683 CG ASN B 66 -8.940 14.414 -16.493 1.00 1.41 C ATOM 2684 OD1 ASN B 66 -9.732 14.488 -17.425 1.00 2.32 O ATOM 2685 ND2 ASN B 66 -8.122 15.422 -16.201 1.00 2.16 N ATOM 0 H ASN B 66 -10.042 13.043 -12.960 1.00 1.21 H new ATOM 0 HA ASN B 66 -10.957 12.967 -15.742 1.00 1.25 H new ATOM 0 HB2 ASN B 66 -8.090 13.285 -14.874 1.00 1.27 H new ATOM 0 HB3 ASN B 66 -8.461 12.329 -16.296 1.00 1.27 H new ATOM 0 HD21 ASN B 66 -8.147 16.277 -16.757 1.00 2.16 H new ATOM 0 HD22 ASN B 66 -7.470 15.340 -15.421 1.00 2.16 H new ATOM 2692 N GLN B 67 -11.374 10.703 -14.381 1.00 1.31 N ATOM 2693 CA GLN B 67 -11.527 9.284 -14.102 1.00 1.31 C ATOM 2694 C GLN B 67 -11.170 8.398 -15.294 1.00 1.39 C ATOM 2695 O GLN B 67 -10.735 7.260 -15.126 1.00 1.44 O ATOM 2696 CB GLN B 67 -12.928 8.886 -13.625 1.00 1.45 C ATOM 2697 CG GLN B 67 -14.101 9.243 -14.562 1.00 1.77 C ATOM 2698 CD GLN B 67 -14.420 10.730 -14.673 1.00 1.95 C ATOM 2699 OE1 GLN B 67 -14.894 11.187 -15.706 1.00 3.53 O ATOM 2700 NE2 GLN B 67 -14.147 11.498 -13.627 1.00 2.54 N ATOM 0 H GLN B 67 -12.221 11.255 -14.242 1.00 1.31 H new ATOM 0 HA GLN B 67 -10.820 9.117 -13.290 1.00 1.31 H new ATOM 0 HB2 GLN B 67 -12.939 7.809 -13.460 1.00 1.45 H new ATOM 0 HB3 GLN B 67 -13.107 9.359 -12.659 1.00 1.45 H new ATOM 0 HG2 GLN B 67 -13.877 8.861 -15.558 1.00 1.77 H new ATOM 0 HG3 GLN B 67 -14.993 8.722 -14.214 1.00 1.77 H new ATOM 0 HE21 GLN B 67 -13.753 11.086 -12.781 1.00 2.54 H new ATOM 0 HE22 GLN B 67 -14.331 12.500 -13.668 1.00 2.54 H new ATOM 2709 N ASP B 68 -11.456 8.913 -16.488 1.00 1.46 N ATOM 2710 CA ASP B 68 -11.311 8.209 -17.751 1.00 1.54 C ATOM 2711 C ASP B 68 -9.956 7.500 -17.883 1.00 1.61 C ATOM 2712 O ASP B 68 -9.880 6.401 -18.428 1.00 1.76 O ATOM 2713 CB ASP B 68 -11.509 9.233 -18.875 1.00 1.64 C ATOM 2714 CG ASP B 68 -11.112 8.676 -20.234 1.00 2.92 C ATOM 2715 OD1 ASP B 68 -11.996 8.082 -20.885 1.00 3.48 O ATOM 2716 OD2 ASP B 68 -9.933 8.879 -20.596 1.00 4.25 O ATOM 0 H ASP B 68 -11.807 9.864 -16.602 1.00 1.46 H new ATOM 0 HA ASP B 68 -12.059 7.419 -17.808 1.00 1.54 H new ATOM 0 HB2 ASP B 68 -12.554 9.543 -18.902 1.00 1.64 H new ATOM 0 HB3 ASP B 68 -10.917 10.123 -18.662 1.00 1.64 H new ATOM 2721 N SER B 69 -8.891 8.139 -17.386 1.00 1.60 N ATOM 2722 CA SER B 69 -7.530 7.658 -17.570 1.00 1.74 C ATOM 2723 C SER B 69 -7.264 6.325 -16.850 1.00 1.70 C ATOM 2724 O SER B 69 -8.144 5.738 -16.218 1.00 2.65 O ATOM 2725 CB SER B 69 -6.540 8.747 -17.134 1.00 1.81 C ATOM 2726 OG SER B 69 -5.240 8.461 -17.624 1.00 2.68 O ATOM 0 H SER B 69 -8.955 9.002 -16.847 1.00 1.60 H new ATOM 0 HA SER B 69 -7.388 7.449 -18.630 1.00 1.74 H new ATOM 0 HB2 SER B 69 -6.870 9.717 -17.506 1.00 1.81 H new ATOM 0 HB3 SER B 69 -6.519 8.813 -16.046 1.00 1.81 H new ATOM 0 HG SER B 69 -4.621 9.165 -17.339 1.00 2.68 H new ATOM 2732 N GLU B 70 -6.008 5.876 -16.935 1.00 1.63 N ATOM 2733 CA GLU B 70 -5.535 4.612 -16.377 1.00 1.60 C ATOM 2734 C GLU B 70 -4.559 4.832 -15.226 1.00 1.77 C ATOM 2735 O GLU B 70 -3.635 5.650 -15.292 1.00 2.31 O ATOM 2736 CB GLU B 70 -4.955 3.681 -17.456 1.00 1.64 C ATOM 2737 CG GLU B 70 -6.093 2.841 -18.053 1.00 1.88 C ATOM 2738 CD GLU B 70 -5.652 1.813 -19.089 1.00 2.61 C ATOM 2739 OE1 GLU B 70 -4.453 1.456 -19.147 1.00 2.94 O ATOM 2740 OE2 GLU B 70 -6.545 1.269 -19.775 1.00 3.68 O ATOM 0 H GLU B 70 -5.273 6.400 -17.409 1.00 1.63 H new ATOM 0 HA GLU B 70 -6.406 4.103 -15.964 1.00 1.60 H new ATOM 0 HB2 GLU B 70 -4.469 4.266 -18.237 1.00 1.64 H new ATOM 0 HB3 GLU B 70 -4.194 3.031 -17.024 1.00 1.64 H new ATOM 0 HG2 GLU B 70 -6.607 2.323 -17.243 1.00 1.88 H new ATOM 0 HG3 GLU B 70 -6.818 3.512 -18.513 1.00 1.88 H new ATOM 2747 N LEU B 71 -4.774 4.056 -14.167 1.00 1.40 N ATOM 2748 CA LEU B 71 -4.012 4.113 -12.941 1.00 1.35 C ATOM 2749 C LEU B 71 -2.733 3.296 -13.094 1.00 1.33 C ATOM 2750 O LEU B 71 -2.689 2.288 -13.803 1.00 1.46 O ATOM 2751 CB LEU B 71 -4.818 3.534 -11.771 1.00 1.53 C ATOM 2752 CG LEU B 71 -6.000 4.372 -11.286 1.00 1.27 C ATOM 2753 CD1 LEU B 71 -6.793 3.487 -10.319 1.00 1.93 C ATOM 2754 CD2 LEU B 71 -5.539 5.640 -10.558 1.00 2.64 C ATOM 0 H LEU B 71 -5.510 3.350 -14.147 1.00 1.40 H new ATOM 0 HA LEU B 71 -3.777 5.158 -12.737 1.00 1.35 H new ATOM 0 HB2 LEU B 71 -5.191 2.553 -12.064 1.00 1.53 H new ATOM 0 HB3 LEU B 71 -4.140 3.379 -10.931 1.00 1.53 H new ATOM 0 HG LEU B 71 -6.600 4.695 -12.137 1.00 1.27 H new ATOM 0 HD11 LEU B 71 -7.653 4.040 -9.941 1.00 1.93 H new ATOM 0 HD12 LEU B 71 -7.137 2.594 -10.842 1.00 1.93 H new ATOM 0 HD13 LEU B 71 -6.154 3.196 -9.485 1.00 1.93 H new ATOM 0 HD21 LEU B 71 -6.410 6.208 -10.229 1.00 2.64 H new ATOM 0 HD22 LEU B 71 -4.938 5.364 -9.692 1.00 2.64 H new ATOM 0 HD23 LEU B 71 -4.942 6.251 -11.235 1.00 2.64 H new ATOM 2766 N LYS B 72 -1.703 3.722 -12.372 1.00 1.24 N ATOM 2767 CA LYS B 72 -0.413 3.072 -12.231 1.00 1.27 C ATOM 2768 C LYS B 72 -0.190 2.763 -10.744 1.00 1.14 C ATOM 2769 O LYS B 72 -0.990 3.178 -9.900 1.00 0.96 O ATOM 2770 CB LYS B 72 0.658 3.997 -12.824 1.00 1.28 C ATOM 2771 CG LYS B 72 0.406 4.222 -14.329 1.00 1.47 C ATOM 2772 CD LYS B 72 0.929 5.582 -14.820 1.00 2.13 C ATOM 2773 CE LYS B 72 -0.107 6.334 -15.676 1.00 2.44 C ATOM 2774 NZ LYS B 72 -1.265 6.819 -14.889 1.00 3.36 N ATOM 0 H LYS B 72 -1.754 4.588 -11.836 1.00 1.24 H new ATOM 0 HA LYS B 72 -0.362 2.126 -12.771 1.00 1.27 H new ATOM 0 HB2 LYS B 72 0.650 4.953 -12.301 1.00 1.28 H new ATOM 0 HB3 LYS B 72 1.646 3.561 -12.676 1.00 1.28 H new ATOM 0 HG2 LYS B 72 0.887 3.426 -14.897 1.00 1.47 H new ATOM 0 HG3 LYS B 72 -0.663 4.155 -14.528 1.00 1.47 H new ATOM 0 HD2 LYS B 72 1.201 6.195 -13.961 1.00 2.13 H new ATOM 0 HD3 LYS B 72 1.837 5.430 -15.403 1.00 2.13 H new ATOM 0 HE2 LYS B 72 0.377 7.182 -16.161 1.00 2.44 H new ATOM 0 HE3 LYS B 72 -0.463 5.675 -16.468 1.00 2.44 H new ATOM 0 HZ1 LYS B 72 -2.143 6.638 -15.416 1.00 3.36 H new ATOM 0 HZ2 LYS B 72 -1.299 6.319 -13.978 1.00 3.36 H new ATOM 0 HZ3 LYS B 72 -1.167 7.840 -14.720 1.00 3.36 H new ATOM 2788 N PHE B 73 0.874 2.016 -10.419 1.00 1.32 N ATOM 2789 CA PHE B 73 1.082 1.470 -9.077 1.00 1.25 C ATOM 2790 C PHE B 73 0.907 2.526 -7.994 1.00 0.85 C ATOM 2791 O PHE B 73 0.052 2.374 -7.129 1.00 0.56 O ATOM 2792 CB PHE B 73 2.457 0.797 -8.941 1.00 1.68 C ATOM 2793 CG PHE B 73 2.759 -0.196 -10.038 1.00 1.22 C ATOM 2794 CD1 PHE B 73 1.909 -1.302 -10.214 1.00 2.37 C ATOM 2795 CD2 PHE B 73 3.738 0.100 -11.004 1.00 2.10 C ATOM 2796 CE1 PHE B 73 1.993 -2.072 -11.382 1.00 3.34 C ATOM 2797 CE2 PHE B 73 3.830 -0.679 -12.167 1.00 2.53 C ATOM 2798 CZ PHE B 73 2.958 -1.763 -12.357 1.00 3.01 C ATOM 0 H PHE B 73 1.612 1.775 -11.080 1.00 1.32 H new ATOM 0 HA PHE B 73 0.312 0.711 -8.936 1.00 1.25 H new ATOM 0 HB2 PHE B 73 3.229 1.566 -8.937 1.00 1.68 H new ATOM 0 HB3 PHE B 73 2.509 0.288 -7.978 1.00 1.68 H new ATOM 0 HD1 PHE B 73 1.191 -1.558 -9.449 1.00 2.37 H new ATOM 0 HD2 PHE B 73 4.417 0.925 -10.850 1.00 2.10 H new ATOM 0 HE1 PHE B 73 1.318 -2.901 -11.533 1.00 3.34 H new ATOM 0 HE2 PHE B 73 4.572 -0.445 -12.916 1.00 2.53 H new ATOM 0 HZ PHE B 73 3.029 -2.361 -13.254 1.00 3.01 H new ATOM 2808 N ASN B 74 1.720 3.587 -8.037 1.00 1.02 N ATOM 2809 CA ASN B 74 1.707 4.605 -6.996 1.00 0.97 C ATOM 2810 C ASN B 74 0.323 5.234 -6.863 1.00 0.66 C ATOM 2811 O ASN B 74 -0.201 5.374 -5.761 1.00 0.77 O ATOM 2812 CB ASN B 74 2.743 5.694 -7.268 1.00 1.42 C ATOM 2813 CG ASN B 74 2.738 6.732 -6.150 1.00 2.46 C ATOM 2814 OD1 ASN B 74 2.363 6.441 -5.019 1.00 3.74 O ATOM 2815 ND2 ASN B 74 3.158 7.952 -6.451 1.00 2.86 N ATOM 0 H ASN B 74 2.393 3.758 -8.784 1.00 1.02 H new ATOM 0 HA ASN B 74 1.962 4.110 -6.059 1.00 0.97 H new ATOM 0 HB2 ASN B 74 3.734 5.248 -7.353 1.00 1.42 H new ATOM 0 HB3 ASN B 74 2.529 6.177 -8.221 1.00 1.42 H new ATOM 0 HD21 ASN B 74 3.175 8.677 -5.734 1.00 2.86 H new ATOM 0 HD22 ASN B 74 3.464 8.166 -7.400 1.00 2.86 H new ATOM 2822 N GLU B 75 -0.247 5.624 -8.003 1.00 0.65 N ATOM 2823 CA GLU B 75 -1.533 6.292 -8.096 1.00 0.68 C ATOM 2824 C GLU B 75 -2.585 5.465 -7.352 1.00 0.66 C ATOM 2825 O GLU B 75 -3.221 5.956 -6.422 1.00 0.76 O ATOM 2826 CB GLU B 75 -1.886 6.481 -9.577 1.00 1.09 C ATOM 2827 CG GLU B 75 -0.813 7.274 -10.353 1.00 1.69 C ATOM 2828 CD GLU B 75 -1.033 7.212 -11.857 1.00 2.75 C ATOM 2829 OE1 GLU B 75 -1.821 6.359 -12.308 1.00 3.81 O ATOM 2830 OE2 GLU B 75 -0.376 7.960 -12.612 1.00 3.46 O ATOM 0 H GLU B 75 0.192 5.476 -8.912 1.00 0.65 H new ATOM 0 HA GLU B 75 -1.498 7.277 -7.630 1.00 0.68 H new ATOM 0 HB2 GLU B 75 -2.016 5.504 -10.042 1.00 1.09 H new ATOM 0 HB3 GLU B 75 -2.841 7.000 -9.654 1.00 1.09 H new ATOM 0 HG2 GLU B 75 -0.825 8.314 -10.028 1.00 1.69 H new ATOM 0 HG3 GLU B 75 0.174 6.877 -10.115 1.00 1.69 H new ATOM 2837 N TYR B 76 -2.715 4.187 -7.721 1.00 0.66 N ATOM 2838 CA TYR B 76 -3.514 3.228 -6.966 1.00 0.68 C ATOM 2839 C TYR B 76 -3.139 3.281 -5.479 1.00 0.56 C ATOM 2840 O TYR B 76 -3.999 3.393 -4.607 1.00 0.60 O ATOM 2841 CB TYR B 76 -3.294 1.828 -7.562 1.00 0.78 C ATOM 2842 CG TYR B 76 -3.615 0.668 -6.639 1.00 1.10 C ATOM 2843 CD1 TYR B 76 -2.636 0.199 -5.743 1.00 2.09 C ATOM 2844 CD2 TYR B 76 -4.862 0.022 -6.707 1.00 1.67 C ATOM 2845 CE1 TYR B 76 -2.923 -0.867 -4.882 1.00 2.40 C ATOM 2846 CE2 TYR B 76 -5.147 -1.055 -5.847 1.00 1.95 C ATOM 2847 CZ TYR B 76 -4.176 -1.492 -4.928 1.00 1.90 C ATOM 2848 OH TYR B 76 -4.468 -2.454 -4.010 1.00 2.34 O ATOM 0 H TYR B 76 -2.269 3.793 -8.550 1.00 0.66 H new ATOM 0 HA TYR B 76 -4.573 3.476 -7.038 1.00 0.68 H new ATOM 0 HB2 TYR B 76 -3.904 1.735 -8.460 1.00 0.78 H new ATOM 0 HB3 TYR B 76 -2.253 1.744 -7.874 1.00 0.78 H new ATOM 0 HD1 TYR B 76 -1.661 0.663 -5.720 1.00 2.09 H new ATOM 0 HD2 TYR B 76 -5.602 0.353 -7.420 1.00 1.67 H new ATOM 0 HE1 TYR B 76 -2.176 -1.208 -4.180 1.00 2.40 H new ATOM 0 HE2 TYR B 76 -6.109 -1.545 -5.893 1.00 1.95 H new ATOM 0 HH TYR B 76 -5.337 -2.261 -3.599 1.00 2.34 H new ATOM 2858 N TRP B 77 -1.842 3.178 -5.196 1.00 0.47 N ATOM 2859 CA TRP B 77 -1.308 3.060 -3.855 1.00 0.44 C ATOM 2860 C TRP B 77 -1.820 4.160 -2.932 1.00 0.45 C ATOM 2861 O TRP B 77 -2.556 3.876 -1.991 1.00 0.47 O ATOM 2862 CB TRP B 77 0.214 3.064 -3.898 1.00 0.44 C ATOM 2863 CG TRP B 77 0.792 2.047 -3.010 1.00 0.41 C ATOM 2864 CD1 TRP B 77 1.036 2.235 -1.707 1.00 0.41 C ATOM 2865 CD2 TRP B 77 1.315 0.739 -3.349 1.00 0.44 C ATOM 2866 NE1 TRP B 77 1.595 1.104 -1.184 1.00 0.42 N ATOM 2867 CE2 TRP B 77 1.855 0.174 -2.164 1.00 0.44 C ATOM 2868 CE3 TRP B 77 1.495 0.026 -4.551 1.00 0.53 C ATOM 2869 CZ2 TRP B 77 2.537 -1.041 -2.166 1.00 0.55 C ATOM 2870 CZ3 TRP B 77 2.221 -1.175 -4.554 1.00 0.63 C ATOM 2871 CH2 TRP B 77 2.687 -1.735 -3.369 1.00 0.64 C ATOM 0 H TRP B 77 -1.121 3.175 -5.917 1.00 0.47 H new ATOM 0 HA TRP B 77 -1.655 2.112 -3.445 1.00 0.44 H new ATOM 0 HB2 TRP B 77 0.548 2.885 -4.920 1.00 0.44 H new ATOM 0 HB3 TRP B 77 0.582 4.049 -3.610 1.00 0.44 H new ATOM 0 HD1 TRP B 77 0.824 3.139 -1.156 1.00 0.41 H new ATOM 0 HE1 TRP B 77 1.794 0.966 -0.193 1.00 0.42 H new ATOM 0 HE3 TRP B 77 1.074 0.404 -5.471 1.00 0.53 H new ATOM 0 HZ2 TRP B 77 2.944 -1.441 -1.249 1.00 0.55 H new ATOM 0 HZ3 TRP B 77 2.421 -1.672 -5.491 1.00 0.63 H new ATOM 0 HH2 TRP B 77 3.164 -2.704 -3.379 1.00 0.64 H new ATOM 2882 N ARG B 78 -1.407 5.410 -3.168 1.00 0.46 N ATOM 2883 CA ARG B 78 -1.814 6.529 -2.334 1.00 0.50 C ATOM 2884 C ARG B 78 -3.341 6.545 -2.151 1.00 0.54 C ATOM 2885 O ARG B 78 -3.803 6.677 -1.021 1.00 0.61 O ATOM 2886 CB ARG B 78 -1.186 7.837 -2.844 1.00 0.63 C ATOM 2887 CG ARG B 78 -1.595 8.327 -4.237 1.00 1.34 C ATOM 2888 CD ARG B 78 -0.386 8.626 -5.147 1.00 1.55 C ATOM 2889 NE ARG B 78 0.721 9.376 -4.521 1.00 2.30 N ATOM 2890 CZ ARG B 78 0.812 10.710 -4.482 1.00 2.90 C ATOM 2891 NH1 ARG B 78 -0.273 11.460 -4.699 1.00 3.32 N ATOM 2892 NH2 ARG B 78 1.999 11.268 -4.245 1.00 4.37 N ATOM 0 H ARG B 78 -0.787 5.666 -3.937 1.00 0.46 H new ATOM 0 HA ARG B 78 -1.423 6.412 -1.323 1.00 0.50 H new ATOM 0 HB2 ARG B 78 -1.423 8.624 -2.128 1.00 0.63 H new ATOM 0 HB3 ARG B 78 -0.103 7.715 -2.836 1.00 0.63 H new ATOM 0 HG2 ARG B 78 -2.223 7.573 -4.712 1.00 1.34 H new ATOM 0 HG3 ARG B 78 -2.199 9.228 -4.137 1.00 1.34 H new ATOM 0 HD2 ARG B 78 0.007 7.680 -5.520 1.00 1.55 H new ATOM 0 HD3 ARG B 78 -0.737 9.188 -6.012 1.00 1.55 H new ATOM 0 HE ARG B 78 1.471 8.838 -4.087 1.00 2.30 H new ATOM 0 HH11 ARG B 78 -1.170 11.015 -4.894 1.00 3.32 H new ATOM 0 HH12 ARG B 78 -0.204 12.477 -4.669 1.00 3.32 H new ATOM 0 HH21 ARG B 78 2.819 10.679 -4.097 1.00 4.37 H new ATOM 0 HH22 ARG B 78 2.088 12.284 -4.212 1.00 4.37 H new ATOM 2906 N LEU B 79 -4.117 6.266 -3.209 1.00 0.55 N ATOM 2907 CA LEU B 79 -5.567 6.118 -3.098 1.00 0.65 C ATOM 2908 C LEU B 79 -5.965 5.051 -2.063 1.00 0.60 C ATOM 2909 O LEU B 79 -6.815 5.323 -1.212 1.00 0.65 O ATOM 2910 CB LEU B 79 -6.211 5.834 -4.468 1.00 0.79 C ATOM 2911 CG LEU B 79 -6.495 7.061 -5.363 1.00 1.05 C ATOM 2912 CD1 LEU B 79 -5.478 8.205 -5.251 1.00 1.15 C ATOM 2913 CD2 LEU B 79 -6.599 6.628 -6.831 1.00 1.52 C ATOM 0 H LEU B 79 -3.757 6.139 -4.155 1.00 0.55 H new ATOM 0 HA LEU B 79 -5.954 7.071 -2.738 1.00 0.65 H new ATOM 0 HB2 LEU B 79 -5.559 5.154 -5.017 1.00 0.79 H new ATOM 0 HB3 LEU B 79 -7.151 5.308 -4.301 1.00 0.79 H new ATOM 0 HG LEU B 79 -7.439 7.462 -4.994 1.00 1.05 H new ATOM 0 HD11 LEU B 79 -5.768 9.016 -5.918 1.00 1.15 H new ATOM 0 HD12 LEU B 79 -5.453 8.571 -4.224 1.00 1.15 H new ATOM 0 HD13 LEU B 79 -4.489 7.841 -5.530 1.00 1.15 H new ATOM 0 HD21 LEU B 79 -6.799 7.500 -7.454 1.00 1.52 H new ATOM 0 HD22 LEU B 79 -5.661 6.168 -7.142 1.00 1.52 H new ATOM 0 HD23 LEU B 79 -7.411 5.909 -6.942 1.00 1.52 H new ATOM 2925 N ILE B 80 -5.404 3.833 -2.102 1.00 0.54 N ATOM 2926 CA ILE B 80 -5.750 2.851 -1.064 1.00 0.52 C ATOM 2927 C ILE B 80 -5.236 3.306 0.311 1.00 0.48 C ATOM 2928 O ILE B 80 -5.864 3.009 1.322 1.00 0.52 O ATOM 2929 CB ILE B 80 -5.414 1.379 -1.398 1.00 0.52 C ATOM 2930 CG1 ILE B 80 -4.012 0.982 -0.946 1.00 0.55 C ATOM 2931 CG2 ILE B 80 -5.557 1.091 -2.882 1.00 0.71 C ATOM 2932 CD1 ILE B 80 -3.608 -0.475 -1.175 1.00 0.50 C ATOM 0 H ILE B 80 -4.739 3.514 -2.806 1.00 0.54 H new ATOM 0 HA ILE B 80 -6.839 2.834 -1.026 1.00 0.52 H new ATOM 0 HB ILE B 80 -6.138 0.781 -0.844 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -3.294 1.620 -1.461 1.00 0.55 H new ATOM 0 HG13 ILE B 80 -3.923 1.197 0.119 1.00 0.55 H new ATOM 0 HG21 ILE B 80 -5.312 0.047 -3.075 1.00 0.71 H new ATOM 0 HG22 ILE B 80 -6.583 1.287 -3.193 1.00 0.71 H new ATOM 0 HG23 ILE B 80 -4.879 1.733 -3.444 1.00 0.71 H new ATOM 0 HD11 ILE B 80 -2.592 -0.632 -0.813 1.00 0.50 H new ATOM 0 HD12 ILE B 80 -4.291 -1.131 -0.636 1.00 0.50 H new ATOM 0 HD13 ILE B 80 -3.652 -0.702 -2.240 1.00 0.50 H new ATOM 2944 N GLY B 81 -4.112 4.028 0.356 1.00 0.46 N ATOM 2945 CA GLY B 81 -3.604 4.694 1.553 1.00 0.50 C ATOM 2946 C GLY B 81 -4.681 5.566 2.183 1.00 0.55 C ATOM 2947 O GLY B 81 -5.025 5.410 3.354 1.00 0.68 O ATOM 0 H GLY B 81 -3.517 4.167 -0.461 1.00 0.46 H new ATOM 0 HA2 GLY B 81 -3.265 3.949 2.273 1.00 0.50 H new ATOM 0 HA3 GLY B 81 -2.739 5.305 1.295 1.00 0.50 H new ATOM 2951 N GLU B 82 -5.223 6.479 1.381 1.00 0.52 N ATOM 2952 CA GLU B 82 -6.334 7.327 1.757 1.00 0.62 C ATOM 2953 C GLU B 82 -7.497 6.451 2.231 1.00 0.65 C ATOM 2954 O GLU B 82 -8.026 6.666 3.316 1.00 0.73 O ATOM 2955 CB GLU B 82 -6.689 8.230 0.572 1.00 0.73 C ATOM 2956 CG GLU B 82 -5.542 9.187 0.193 1.00 0.84 C ATOM 2957 CD GLU B 82 -5.504 9.483 -1.306 1.00 2.13 C ATOM 2958 OE1 GLU B 82 -6.599 9.501 -1.911 1.00 3.38 O ATOM 2959 OE2 GLU B 82 -4.379 9.650 -1.829 1.00 3.06 O ATOM 0 H GLU B 82 -4.889 6.648 0.432 1.00 0.52 H new ATOM 0 HA GLU B 82 -6.077 7.981 2.590 1.00 0.62 H new ATOM 0 HB2 GLU B 82 -6.941 7.611 -0.289 1.00 0.73 H new ATOM 0 HB3 GLU B 82 -7.577 8.812 0.817 1.00 0.73 H new ATOM 0 HG2 GLU B 82 -5.655 10.121 0.743 1.00 0.84 H new ATOM 0 HG3 GLU B 82 -4.591 8.750 0.499 1.00 0.84 H new ATOM 2966 N LEU B 83 -7.848 5.404 1.479 1.00 0.63 N ATOM 2967 CA LEU B 83 -8.872 4.461 1.901 1.00 0.69 C ATOM 2968 C LEU B 83 -8.600 3.919 3.317 1.00 0.70 C ATOM 2969 O LEU B 83 -9.463 4.025 4.186 1.00 0.77 O ATOM 2970 CB LEU B 83 -9.056 3.369 0.836 1.00 0.74 C ATOM 2971 CG LEU B 83 -10.532 3.114 0.504 1.00 1.21 C ATOM 2972 CD1 LEU B 83 -10.630 2.055 -0.596 1.00 2.21 C ATOM 2973 CD2 LEU B 83 -11.300 2.654 1.739 1.00 2.04 C ATOM 0 H LEU B 83 -7.432 5.193 0.572 1.00 0.63 H new ATOM 0 HA LEU B 83 -9.827 4.981 1.981 1.00 0.69 H new ATOM 0 HB2 LEU B 83 -8.528 3.659 -0.072 1.00 0.74 H new ATOM 0 HB3 LEU B 83 -8.601 2.443 1.187 1.00 0.74 H new ATOM 0 HG LEU B 83 -10.977 4.047 0.158 1.00 1.21 H new ATOM 0 HD11 LEU B 83 -11.678 1.873 -0.833 1.00 2.21 H new ATOM 0 HD12 LEU B 83 -10.112 2.408 -1.488 1.00 2.21 H new ATOM 0 HD13 LEU B 83 -10.169 1.129 -0.252 1.00 2.21 H new ATOM 0 HD21 LEU B 83 -12.343 2.481 1.475 1.00 2.04 H new ATOM 0 HD22 LEU B 83 -10.863 1.730 2.116 1.00 2.04 H new ATOM 0 HD23 LEU B 83 -11.244 3.423 2.510 1.00 2.04 H new ATOM 2985 N ALA B 84 -7.403 3.389 3.601 1.00 0.67 N ATOM 2986 CA ALA B 84 -7.030 3.017 4.962 1.00 0.74 C ATOM 2987 C ALA B 84 -7.172 4.191 5.950 1.00 0.80 C ATOM 2988 O ALA B 84 -7.598 3.987 7.086 1.00 1.00 O ATOM 2989 CB ALA B 84 -5.615 2.429 4.967 1.00 0.78 C ATOM 0 H ALA B 84 -6.681 3.210 2.903 1.00 0.67 H new ATOM 0 HA ALA B 84 -7.725 2.253 5.310 1.00 0.74 H new ATOM 0 HB1 ALA B 84 -5.340 2.152 5.985 1.00 0.78 H new ATOM 0 HB2 ALA B 84 -5.586 1.545 4.330 1.00 0.78 H new ATOM 0 HB3 ALA B 84 -4.911 3.171 4.590 1.00 0.78 H new ATOM 2995 N LYS B 85 -6.811 5.415 5.540 1.00 0.83 N ATOM 2996 CA LYS B 85 -7.018 6.629 6.335 1.00 1.06 C ATOM 2997 C LYS B 85 -8.502 6.751 6.726 1.00 0.94 C ATOM 2998 O LYS B 85 -8.821 7.046 7.877 1.00 1.13 O ATOM 2999 CB LYS B 85 -6.533 7.878 5.562 1.00 1.45 C ATOM 3000 CG LYS B 85 -6.054 9.033 6.455 1.00 1.16 C ATOM 3001 CD LYS B 85 -6.205 10.413 5.781 1.00 1.41 C ATOM 3002 CE LYS B 85 -5.565 10.554 4.381 1.00 2.41 C ATOM 3003 NZ LYS B 85 -5.828 11.875 3.758 1.00 3.15 N ATOM 0 H LYS B 85 -6.364 5.589 4.640 1.00 0.83 H new ATOM 0 HA LYS B 85 -6.428 6.561 7.249 1.00 1.06 H new ATOM 0 HB2 LYS B 85 -5.718 7.586 4.899 1.00 1.45 H new ATOM 0 HB3 LYS B 85 -7.345 8.237 4.930 1.00 1.45 H new ATOM 0 HG2 LYS B 85 -6.620 9.025 7.386 1.00 1.16 H new ATOM 0 HG3 LYS B 85 -5.008 8.874 6.717 1.00 1.16 H new ATOM 0 HD2 LYS B 85 -7.268 10.641 5.698 1.00 1.41 H new ATOM 0 HD3 LYS B 85 -5.768 11.166 6.437 1.00 1.41 H new ATOM 0 HE2 LYS B 85 -4.488 10.404 4.462 1.00 2.41 H new ATOM 0 HE3 LYS B 85 -5.949 9.768 3.731 1.00 2.41 H new ATOM 0 HZ1 LYS B 85 -5.449 11.884 2.789 1.00 3.15 H new ATOM 0 HZ2 LYS B 85 -6.853 12.048 3.730 1.00 3.15 H new ATOM 0 HZ3 LYS B 85 -5.366 12.621 4.317 1.00 3.15 H new ATOM 3017 N GLU B 86 -9.397 6.534 5.757 1.00 0.76 N ATOM 3018 CA GLU B 86 -10.843 6.627 5.906 1.00 0.73 C ATOM 3019 C GLU B 86 -11.361 5.504 6.804 1.00 0.78 C ATOM 3020 O GLU B 86 -11.820 5.755 7.922 1.00 0.93 O ATOM 3021 CB GLU B 86 -11.507 6.596 4.515 1.00 0.74 C ATOM 3022 CG GLU B 86 -11.099 7.826 3.696 1.00 0.95 C ATOM 3023 CD GLU B 86 -10.883 7.539 2.218 1.00 1.48 C ATOM 3024 OE1 GLU B 86 -11.657 6.767 1.609 1.00 2.73 O ATOM 3025 OE2 GLU B 86 -9.923 8.103 1.649 1.00 2.25 O ATOM 0 H GLU B 86 -9.116 6.278 4.810 1.00 0.76 H new ATOM 0 HA GLU B 86 -11.100 7.571 6.387 1.00 0.73 H new ATOM 0 HB2 GLU B 86 -11.216 5.688 3.987 1.00 0.74 H new ATOM 0 HB3 GLU B 86 -12.591 6.568 4.624 1.00 0.74 H new ATOM 0 HG2 GLU B 86 -11.869 8.590 3.799 1.00 0.95 H new ATOM 0 HG3 GLU B 86 -10.181 8.240 4.113 1.00 0.95 H new ATOM 3032 N ILE B 87 -11.309 4.258 6.326 1.00 0.76 N ATOM 3033 CA ILE B 87 -11.833 3.137 7.085 1.00 0.81 C ATOM 3034 C ILE B 87 -10.781 2.722 8.111 1.00 0.92 C ATOM 3035 O ILE B 87 -9.939 1.854 7.887 1.00 1.01 O ATOM 3036 CB ILE B 87 -12.379 2.011 6.182 1.00 0.81 C ATOM 3037 CG1 ILE B 87 -12.952 0.838 6.992 1.00 1.23 C ATOM 3038 CG2 ILE B 87 -11.384 1.450 5.160 1.00 1.35 C ATOM 3039 CD1 ILE B 87 -13.917 1.258 8.102 1.00 1.58 C ATOM 0 H ILE B 87 -10.910 4.008 5.421 1.00 0.76 H new ATOM 0 HA ILE B 87 -12.723 3.430 7.642 1.00 0.81 H new ATOM 0 HB ILE B 87 -13.169 2.512 5.623 1.00 0.81 H new ATOM 0 HG12 ILE B 87 -13.469 0.160 6.313 1.00 1.23 H new ATOM 0 HG13 ILE B 87 -12.128 0.279 7.434 1.00 1.23 H new ATOM 0 HG21 ILE B 87 -11.865 0.665 4.576 1.00 1.35 H new ATOM 0 HG22 ILE B 87 -11.057 2.249 4.494 1.00 1.35 H new ATOM 0 HG23 ILE B 87 -10.521 1.036 5.682 1.00 1.35 H new ATOM 0 HD11 ILE B 87 -14.276 0.372 8.626 1.00 1.58 H new ATOM 0 HD12 ILE B 87 -13.400 1.911 8.805 1.00 1.58 H new ATOM 0 HD13 ILE B 87 -14.763 1.790 7.667 1.00 1.58 H new ATOM 3051 N ARG B 88 -10.865 3.351 9.282 1.00 1.20 N ATOM 3052 CA ARG B 88 -9.846 3.245 10.306 1.00 1.47 C ATOM 3053 C ARG B 88 -10.058 1.922 11.042 1.00 1.32 C ATOM 3054 O ARG B 88 -10.839 1.839 11.987 1.00 1.57 O ATOM 3055 CB ARG B 88 -9.962 4.465 11.234 1.00 1.96 C ATOM 3056 CG ARG B 88 -8.880 4.488 12.321 1.00 2.84 C ATOM 3057 CD ARG B 88 -9.002 5.777 13.147 1.00 3.07 C ATOM 3058 NE ARG B 88 -8.017 5.831 14.243 1.00 4.34 N ATOM 3059 CZ ARG B 88 -6.723 6.173 14.120 1.00 5.56 C ATOM 3060 NH1 ARG B 88 -6.218 6.457 12.914 1.00 6.06 N ATOM 3061 NH2 ARG B 88 -5.941 6.228 15.204 1.00 6.81 N ATOM 0 H ARG B 88 -11.649 3.950 9.541 1.00 1.20 H new ATOM 0 HA ARG B 88 -8.838 3.243 9.891 1.00 1.47 H new ATOM 0 HB2 ARG B 88 -9.893 5.376 10.640 1.00 1.96 H new ATOM 0 HB3 ARG B 88 -10.945 4.465 11.705 1.00 1.96 H new ATOM 0 HG2 ARG B 88 -8.984 3.618 12.969 1.00 2.84 H new ATOM 0 HG3 ARG B 88 -7.892 4.429 11.865 1.00 2.84 H new ATOM 0 HD2 ARG B 88 -8.865 6.639 12.494 1.00 3.07 H new ATOM 0 HD3 ARG B 88 -10.008 5.848 13.561 1.00 3.07 H new ATOM 0 HE ARG B 88 -8.347 5.587 15.177 1.00 4.34 H new ATOM 0 HH11 ARG B 88 -6.815 6.414 12.088 1.00 6.06 H new ATOM 0 HH12 ARG B 88 -5.236 6.717 12.821 1.00 6.06 H new ATOM 0 HH21 ARG B 88 -6.327 6.010 16.123 1.00 6.81 H new ATOM 0 HH22 ARG B 88 -4.959 6.487 15.112 1.00 6.81 H new ATOM 3075 N LYS B 89 -9.335 0.895 10.582 1.00 1.20 N ATOM 3076 CA LYS B 89 -9.305 -0.476 11.088 1.00 1.24 C ATOM 3077 C LYS B 89 -9.342 -0.572 12.624 1.00 1.44 C ATOM 3078 O LYS B 89 -9.906 -1.527 13.159 1.00 1.49 O ATOM 3079 CB LYS B 89 -8.056 -1.188 10.538 1.00 1.96 C ATOM 3080 CG LYS B 89 -8.220 -1.830 9.150 1.00 1.33 C ATOM 3081 CD LYS B 89 -8.651 -0.893 8.015 1.00 1.53 C ATOM 3082 CE LYS B 89 -8.403 -1.511 6.628 1.00 1.97 C ATOM 3083 NZ LYS B 89 -9.022 -2.841 6.435 1.00 3.16 N ATOM 0 H LYS B 89 -8.709 1.013 9.785 1.00 1.20 H new ATOM 0 HA LYS B 89 -10.214 -0.966 10.739 1.00 1.24 H new ATOM 0 HB2 LYS B 89 -7.239 -0.468 10.492 1.00 1.96 H new ATOM 0 HB3 LYS B 89 -7.759 -1.963 11.245 1.00 1.96 H new ATOM 0 HG2 LYS B 89 -7.272 -2.291 8.872 1.00 1.33 H new ATOM 0 HG3 LYS B 89 -8.954 -2.632 9.229 1.00 1.33 H new ATOM 0 HD2 LYS B 89 -9.710 -0.658 8.122 1.00 1.53 H new ATOM 0 HD3 LYS B 89 -8.106 0.047 8.095 1.00 1.53 H new ATOM 0 HE2 LYS B 89 -8.785 -0.831 5.867 1.00 1.97 H new ATOM 0 HE3 LYS B 89 -7.328 -1.597 6.468 1.00 1.97 H new ATOM 0 HZ1 LYS B 89 -8.459 -3.391 5.755 1.00 3.16 H new ATOM 0 HZ2 LYS B 89 -9.055 -3.344 7.345 1.00 3.16 H new ATOM 0 HZ3 LYS B 89 -9.988 -2.724 6.069 1.00 3.16 H new ATOM 3097 N LYS B 90 -8.733 0.390 13.334 1.00 1.86 N ATOM 3098 CA LYS B 90 -8.824 0.544 14.788 1.00 2.60 C ATOM 3099 C LYS B 90 -8.061 -0.596 15.481 1.00 1.76 C ATOM 3100 O LYS B 90 -6.909 -0.421 15.893 1.00 2.03 O ATOM 3101 CB LYS B 90 -10.310 0.675 15.208 1.00 4.10 C ATOM 3102 CG LYS B 90 -10.556 0.929 16.701 1.00 5.25 C ATOM 3103 CD LYS B 90 -12.011 0.610 17.098 1.00 6.96 C ATOM 3104 CE LYS B 90 -12.279 -0.908 17.080 1.00 7.70 C ATOM 3105 NZ LYS B 90 -13.523 -1.321 17.775 1.00 9.36 N ATOM 0 H LYS B 90 -8.147 1.101 12.896 1.00 1.86 H new ATOM 0 HA LYS B 90 -8.341 1.465 15.115 1.00 2.60 H new ATOM 0 HB2 LYS B 90 -10.759 1.490 14.640 1.00 4.10 H new ATOM 0 HB3 LYS B 90 -10.832 -0.238 14.922 1.00 4.10 H new ATOM 0 HG2 LYS B 90 -9.874 0.317 17.292 1.00 5.25 H new ATOM 0 HG3 LYS B 90 -10.334 1.970 16.935 1.00 5.25 H new ATOM 0 HD2 LYS B 90 -12.213 1.005 18.094 1.00 6.96 H new ATOM 0 HD3 LYS B 90 -12.695 1.110 16.412 1.00 6.96 H new ATOM 0 HE2 LYS B 90 -12.328 -1.243 16.044 1.00 7.70 H new ATOM 0 HE3 LYS B 90 -11.434 -1.419 17.541 1.00 7.70 H new ATOM 0 HZ1 LYS B 90 -13.332 -2.159 18.360 1.00 9.36 H new ATOM 0 HZ2 LYS B 90 -13.856 -0.544 18.381 1.00 9.36 H new ATOM 0 HZ3 LYS B 90 -14.254 -1.549 17.072 1.00 9.36 H new ATOM 3119 N LYS B 91 -8.706 -1.760 15.591 1.00 1.66 N ATOM 3120 CA LYS B 91 -8.118 -3.015 16.042 1.00 2.17 C ATOM 3121 C LYS B 91 -9.048 -4.179 15.678 1.00 2.09 C ATOM 3122 O LYS B 91 -8.600 -5.192 15.145 1.00 2.54 O ATOM 3123 CB LYS B 91 -7.738 -3.004 17.541 1.00 3.45 C ATOM 3124 CG LYS B 91 -8.889 -2.829 18.544 1.00 3.56 C ATOM 3125 CD LYS B 91 -8.419 -3.171 19.965 1.00 4.78 C ATOM 3126 CE LYS B 91 -9.505 -3.022 21.047 1.00 5.07 C ATOM 3127 NZ LYS B 91 -10.737 -3.795 20.769 1.00 5.37 N ATOM 0 H LYS B 91 -9.694 -1.853 15.357 1.00 1.66 H new ATOM 0 HA LYS B 91 -7.172 -3.150 15.519 1.00 2.17 H new ATOM 0 HB2 LYS B 91 -7.227 -3.939 17.769 1.00 3.45 H new ATOM 0 HB3 LYS B 91 -7.020 -2.201 17.704 1.00 3.45 H new ATOM 0 HG2 LYS B 91 -9.254 -1.802 18.512 1.00 3.56 H new ATOM 0 HG3 LYS B 91 -9.723 -3.473 18.265 1.00 3.56 H new ATOM 0 HD2 LYS B 91 -8.051 -4.197 19.976 1.00 4.78 H new ATOM 0 HD3 LYS B 91 -7.577 -2.527 20.221 1.00 4.78 H new ATOM 0 HE2 LYS B 91 -9.096 -3.341 22.005 1.00 5.07 H new ATOM 0 HE3 LYS B 91 -9.764 -1.968 21.146 1.00 5.07 H new ATOM 0 HZ1 LYS B 91 -11.190 -4.060 21.667 1.00 5.37 H new ATOM 0 HZ2 LYS B 91 -11.392 -3.214 20.208 1.00 5.37 H new ATOM 0 HZ3 LYS B 91 -10.495 -4.655 20.236 1.00 5.37 H new ATOM 3141 N ASP B 92 -10.350 -4.029 15.948 1.00 2.16 N ATOM 3142 CA ASP B 92 -11.321 -5.116 15.874 1.00 2.46 C ATOM 3143 C ASP B 92 -11.799 -5.237 14.428 1.00 1.94 C ATOM 3144 O ASP B 92 -12.982 -5.089 14.135 1.00 2.16 O ATOM 3145 CB ASP B 92 -12.496 -4.848 16.832 1.00 3.24 C ATOM 3146 CG ASP B 92 -12.062 -4.556 18.254 1.00 4.37 C ATOM 3147 OD1 ASP B 92 -11.336 -5.371 18.864 1.00 5.24 O ATOM 3148 OD2 ASP B 92 -12.351 -3.431 18.729 1.00 5.04 O ATOM 0 H ASP B 92 -10.759 -3.137 16.227 1.00 2.16 H new ATOM 0 HA ASP B 92 -10.861 -6.056 16.180 1.00 2.46 H new ATOM 0 HB2 ASP B 92 -13.075 -4.004 16.457 1.00 3.24 H new ATOM 0 HB3 ASP B 92 -13.158 -5.714 16.833 1.00 3.24 H new ATOM 3153 N LEU B 93 -10.861 -5.476 13.512 1.00 1.56 N ATOM 3154 CA LEU B 93 -11.144 -5.350 12.094 1.00 1.29 C ATOM 3155 C LEU B 93 -11.981 -6.540 11.627 1.00 1.07 C ATOM 3156 O LEU B 93 -13.133 -6.395 11.230 1.00 1.24 O ATOM 3157 CB LEU B 93 -9.807 -5.274 11.347 1.00 1.63 C ATOM 3158 CG LEU B 93 -9.975 -5.303 9.823 1.00 1.56 C ATOM 3159 CD1 LEU B 93 -10.926 -4.193 9.358 1.00 3.39 C ATOM 3160 CD2 LEU B 93 -8.593 -5.316 9.167 1.00 2.33 C ATOM 0 H LEU B 93 -9.905 -5.756 13.731 1.00 1.56 H new ATOM 0 HA LEU B 93 -11.719 -4.447 11.890 1.00 1.29 H new ATOM 0 HB2 LEU B 93 -9.288 -4.359 11.633 1.00 1.63 H new ATOM 0 HB3 LEU B 93 -9.176 -6.108 11.654 1.00 1.63 H new ATOM 0 HG LEU B 93 -10.466 -6.220 9.496 1.00 1.56 H new ATOM 0 HD11 LEU B 93 -11.030 -4.233 8.274 1.00 3.39 H new ATOM 0 HD12 LEU B 93 -11.903 -4.333 9.821 1.00 3.39 H new ATOM 0 HD13 LEU B 93 -10.522 -3.223 9.648 1.00 3.39 H new ATOM 0 HD21 LEU B 93 -8.705 -5.337 8.083 1.00 2.33 H new ATOM 0 HD22 LEU B 93 -8.044 -4.421 9.458 1.00 2.33 H new ATOM 0 HD23 LEU B 93 -8.044 -6.200 9.492 1.00 2.33 H new ATOM 3172 N LYS B 94 -11.400 -7.732 11.763 1.00 1.01 N ATOM 3173 CA LYS B 94 -11.946 -8.985 11.260 1.00 1.06 C ATOM 3174 C LYS B 94 -13.163 -9.450 12.066 1.00 1.15 C ATOM 3175 O LYS B 94 -13.938 -10.286 11.609 1.00 1.23 O ATOM 3176 CB LYS B 94 -10.814 -10.003 11.058 1.00 1.64 C ATOM 3177 CG LYS B 94 -10.007 -9.561 9.819 1.00 3.09 C ATOM 3178 CD LYS B 94 -8.657 -10.254 9.589 1.00 4.04 C ATOM 3179 CE LYS B 94 -7.567 -9.734 10.539 1.00 4.94 C ATOM 3180 NZ LYS B 94 -6.224 -10.199 10.136 1.00 6.32 N ATOM 0 H LYS B 94 -10.508 -7.852 12.242 1.00 1.01 H new ATOM 0 HA LYS B 94 -12.372 -8.843 10.267 1.00 1.06 H new ATOM 0 HB2 LYS B 94 -10.173 -10.043 11.939 1.00 1.64 H new ATOM 0 HB3 LYS B 94 -11.220 -11.004 10.914 1.00 1.64 H new ATOM 0 HG2 LYS B 94 -10.626 -9.721 8.936 1.00 3.09 H new ATOM 0 HG3 LYS B 94 -9.830 -8.488 9.894 1.00 3.09 H new ATOM 0 HD2 LYS B 94 -8.774 -11.329 9.727 1.00 4.04 H new ATOM 0 HD3 LYS B 94 -8.342 -10.098 8.557 1.00 4.04 H new ATOM 0 HE2 LYS B 94 -7.586 -8.644 10.553 1.00 4.94 H new ATOM 0 HE3 LYS B 94 -7.779 -10.069 11.554 1.00 4.94 H new ATOM 0 HZ1 LYS B 94 -5.861 -10.868 10.845 1.00 6.32 H new ATOM 0 HZ2 LYS B 94 -6.283 -10.672 9.212 1.00 6.32 H new ATOM 0 HZ3 LYS B 94 -5.581 -9.385 10.067 1.00 6.32 H new ATOM 3194 N ILE B 95 -13.342 -8.902 13.271 1.00 1.43 N ATOM 3195 CA ILE B 95 -14.619 -8.895 13.973 1.00 1.73 C ATOM 3196 C ILE B 95 -15.782 -8.448 13.064 1.00 1.72 C ATOM 3197 O ILE B 95 -16.906 -8.913 13.246 1.00 1.99 O ATOM 3198 CB ILE B 95 -14.475 -8.029 15.250 1.00 2.04 C ATOM 3199 CG1 ILE B 95 -14.301 -8.906 16.499 1.00 2.72 C ATOM 3200 CG2 ILE B 95 -15.580 -6.982 15.455 1.00 2.50 C ATOM 3201 CD1 ILE B 95 -15.582 -9.638 16.906 1.00 3.14 C ATOM 0 H ILE B 95 -12.591 -8.446 13.789 1.00 1.43 H new ATOM 0 HA ILE B 95 -14.878 -9.911 14.270 1.00 1.73 H new ATOM 0 HB ILE B 95 -13.567 -7.447 15.091 1.00 2.04 H new ATOM 0 HG12 ILE B 95 -13.515 -9.638 16.314 1.00 2.72 H new ATOM 0 HG13 ILE B 95 -13.967 -8.283 17.329 1.00 2.72 H new ATOM 0 HG21 ILE B 95 -15.390 -6.428 16.374 1.00 2.50 H new ATOM 0 HG22 ILE B 95 -15.589 -6.292 14.611 1.00 2.50 H new ATOM 0 HG23 ILE B 95 -16.546 -7.482 15.525 1.00 2.50 H new ATOM 0 HD11 ILE B 95 -15.391 -10.239 17.795 1.00 3.14 H new ATOM 0 HD12 ILE B 95 -16.364 -8.910 17.122 1.00 3.14 H new ATOM 0 HD13 ILE B 95 -15.905 -10.287 16.092 1.00 3.14 H new ATOM 3213 N ARG B 96 -15.530 -7.552 12.102 1.00 1.55 N ATOM 3214 CA ARG B 96 -16.513 -7.049 11.152 1.00 1.76 C ATOM 3215 C ARG B 96 -17.658 -6.313 11.857 1.00 2.33 C ATOM 3216 O ARG B 96 -18.785 -6.804 11.909 1.00 3.41 O ATOM 3217 CB ARG B 96 -17.017 -8.173 10.232 1.00 1.70 C ATOM 3218 CG ARG B 96 -17.360 -7.676 8.817 1.00 2.13 C ATOM 3219 CD ARG B 96 -18.359 -6.514 8.729 1.00 3.67 C ATOM 3220 NE ARG B 96 -18.742 -6.249 7.331 1.00 4.59 N ATOM 3221 CZ ARG B 96 -19.650 -6.942 6.627 1.00 4.81 C ATOM 3222 NH1 ARG B 96 -20.299 -7.968 7.187 1.00 4.08 N ATOM 3223 NH2 ARG B 96 -19.891 -6.598 5.361 1.00 6.30 N ATOM 0 H ARG B 96 -14.604 -7.148 11.964 1.00 1.55 H new ATOM 0 HA ARG B 96 -16.019 -6.313 10.518 1.00 1.76 H new ATOM 0 HB2 ARG B 96 -16.256 -8.950 10.165 1.00 1.70 H new ATOM 0 HB3 ARG B 96 -17.901 -8.631 10.676 1.00 1.70 H new ATOM 0 HG2 ARG B 96 -16.435 -7.370 8.328 1.00 2.13 H new ATOM 0 HG3 ARG B 96 -17.759 -8.515 8.247 1.00 2.13 H new ATOM 0 HD2 ARG B 96 -19.248 -6.749 9.315 1.00 3.67 H new ATOM 0 HD3 ARG B 96 -17.918 -5.617 9.165 1.00 3.67 H new ATOM 0 HE ARG B 96 -18.278 -5.473 6.859 1.00 4.59 H new ATOM 0 HH11 ARG B 96 -20.105 -8.227 8.154 1.00 4.08 H new ATOM 0 HH12 ARG B 96 -20.988 -8.491 6.647 1.00 4.08 H new ATOM 0 HH21 ARG B 96 -19.388 -5.817 4.940 1.00 6.30 H new ATOM 0 HH22 ARG B 96 -20.579 -7.116 4.814 1.00 6.30 H new